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A

add(Atom) - Method in class org.RDKit.Atom_Vect
 
add(AtomicParams) - Method in class org.RDKit.Atomic_Params_Vect
 
add(Bond) - Method in class org.RDKit.Bond_Vect
 
add(byte) - Method in class org.RDKit.Byte_Vect
 
add(double) - Method in class org.RDKit.Double_Vect
 
add(ExplicitBitVect) - Method in class org.RDKit.EBV_Vect
 
add(ForceFieldContrib) - Method in class org.RDKit.FF_Contrib_Vect
 
add(FilterCatalogEntry) - Method in class org.RDKit.FilterCatalogEntry_Vect
 
add(SWIGTYPE_p_std__vectorT_boost__shared_ptrT_RDKit__FilterCatalogEntry_const_t_t) - Method in class org.RDKit.FilterCatalogEntry_VectVect
 
add(FilterCatalogEntry) - Method in class org.RDKit.FilterCatalogEntryVect
 
add(FilterMatch) - Method in class org.RDKit.FilterMatch_Vect
 
add(Float_Pair) - Method in class org.RDKit.Float_Pair_Vect
 
add(int) - Method in class org.RDKit.Int_List
 
add(int) - Method in class org.RDKit.Int_Vect
 
add(Int_Vect) - Method in class org.RDKit.Int_Vect_List
 
add(Int_Vect) - Method in class org.RDKit.Int_Vect_Vect
 
add(Long_Pair) - Method in class org.RDKit.Long_Pair_Vect
 
add(Int_Pair) - Method in class org.RDKit.Match_Vect
 
add(Match_Vect) - Method in class org.RDKit.Match_Vect_Vect
 
add(MolSanitizeException) - Method in class org.RDKit.MolSanitizeException_Vect
 
add(Point2D) - Method in class org.RDKit.Point2D_Vect
 
add(Point3D) - Method in class org.RDKit.Point3D_Vect
 
add(Point) - Method in class org.RDKit.Point_Vect
 
add(ROMol) - Method in class org.RDKit.RGroupDecomposition
 
add(ROMol) - Method in class org.RDKit.ROMol_Vect
 
add(ROMol_Vect) - Method in class org.RDKit.ROMol_Vect_Vect
 
add(StereoGroup) - Method in class org.RDKit.StereoGroup_Vect
 
add(String) - Method in class org.RDKit.Str_Vect
 
add(StringMolMap) - Method in class org.RDKit.StringMolMap_Vect
 
add(short) - Method in class org.RDKit.UChar_Vect
 
add(long) - Method in class org.RDKit.UInt_List
 
add(UInt_Pair) - Method in class org.RDKit.UInt_Pair_Vect
 
add(long) - Method in class org.RDKit.UInt_Vect
 
add(UIntPair) - Method in class org.RDKit.UIntPairVect
 
addAgentTemplate(ROMol) - Method in class org.RDKit.ChemicalReaction
 
addAtom(boolean) - Method in class org.RDKit.RWMol
adds an empty Atom to our collection
addAtom() - Method in class org.RDKit.RWMol
adds an empty Atom to our collection
addAtom(Atom, boolean) - Method in class org.RDKit.RWMol
adds an Atom to our collection
addAtom(Atom) - Method in class org.RDKit.RWMol
adds an Atom to our collection
addBinary(String) - Method in class org.RDKit.CachedMolHolder
 
addBond(long, long, Bond.BondType) - Method in class org.RDKit.RWMol
adds a Bond between the indicated Atoms
addBond(long, long) - Method in class org.RDKit.RWMol
adds a Bond between the indicated Atoms
addBond(Atom, Atom, Bond.BondType) - Method in class org.RDKit.RWMol
This is an overloaded member function, provided for convenience.
addBond(Atom, Atom) - Method in class org.RDKit.RWMol
This is an overloaded member function, provided for convenience.
addBond(Bond) - Method in class org.RDKit.RWMol
adds a Bond to our collection
addCatalog(FilterCatalogParams.FilterCatalogs) - Method in class org.RDKit.FilterCatalogParams
 
addConformer(Conformer, boolean) - Method in class org.RDKit.ROMol
 
addConformer(Conformer) - Method in class org.RDKit.ROMol
 
addConformersToMol(ROMol, int, int) - Method in class org.RDKit.Trajectory
 
addConformersToMol(ROMol, int) - Method in class org.RDKit.Trajectory
 
addConformersToMol(ROMol) - Method in class org.RDKit.Trajectory
 
addEntry(FilterCatalogEntry) - Method in class org.RDKit.FilterCatalog
 
addFingerprint(ExplicitBitVect) - Method in class org.RDKit.FPHolderBase
 
addHs(ROMol, boolean, boolean, UInt_Vect, boolean) - Static method in class org.RDKit.RDKFuncs
 
addHs(ROMol, boolean, boolean, UInt_Vect) - Static method in class org.RDKit.RDKFuncs
 
addHs(ROMol, boolean, boolean) - Static method in class org.RDKit.RDKFuncs
returns a copy of a molecule with hydrogens added in as explicit Atoms
addHs(ROMol, boolean) - Static method in class org.RDKit.RDKFuncs
returns a copy of a molecule with hydrogens added in as explicit Atoms
addHs(ROMol) - Static method in class org.RDKit.RDKFuncs
returns a copy of a molecule with hydrogens added in as explicit Atoms
addHs(RWMol, boolean, boolean, UInt_Vect, boolean) - Static method in class org.RDKit.RDKFuncs
 
addHs(RWMol, boolean, boolean, UInt_Vect) - Static method in class org.RDKit.RDKFuncs
 
addHs(RWMol, boolean, boolean) - Static method in class org.RDKit.RDKFuncs
 
addHs(RWMol, boolean) - Static method in class org.RDKit.RDKFuncs
 
addHs(RWMol) - Static method in class org.RDKit.RDKFuncs
 
addHs(boolean, boolean) - Method in class org.RDKit.ROMol
 
addHs(boolean) - Method in class org.RDKit.ROMol
 
addHs__SWIG_0(long, ROMol, boolean, boolean, long, UInt_Vect, boolean) - Static method in class org.RDKit.RDKFuncsJNI
 
addHs__SWIG_1(long, ROMol, boolean, boolean, long, UInt_Vect) - Static method in class org.RDKit.RDKFuncsJNI
 
addHs__SWIG_2(long, ROMol, boolean, boolean) - Static method in class org.RDKit.RDKFuncsJNI
 
addHs__SWIG_3(long, ROMol, boolean) - Static method in class org.RDKit.RDKFuncsJNI
 
addHs__SWIG_4(long, ROMol) - Static method in class org.RDKit.RDKFuncsJNI
 
addHs__SWIG_5(long, RWMol, boolean, boolean, long, UInt_Vect, boolean) - Static method in class org.RDKit.RDKFuncsJNI
 
addHs__SWIG_6(long, RWMol, boolean, boolean, long, UInt_Vect) - Static method in class org.RDKit.RDKFuncsJNI
 
addHs__SWIG_7(long, RWMol, boolean, boolean) - Static method in class org.RDKit.RDKFuncsJNI
 
addHs__SWIG_8(long, RWMol, boolean) - Static method in class org.RDKit.RDKFuncsJNI
 
addHs__SWIG_9(long, RWMol) - Static method in class org.RDKit.RDKFuncsJNI
 
addMol(ROMol) - Method in class org.RDKit.CachedMolHolder
 
addMol(ROMol) - Method in class org.RDKit.CachedSmilesMolHolder
 
addMol(ROMol) - Method in class org.RDKit.CachedTrustedSmilesMolHolder
 
addMol(ROMol) - Method in class org.RDKit.FPHolderBase
 
addMol(ROMol) - Method in class org.RDKit.MolHolder
 
addMol(ROMol) - Method in class org.RDKit.MolHolderBase
 
addMol(ROMol) - Method in class org.RDKit.SubstructLibrary
 
addMoleculeMetadata(ROMol, int) - Method in class org.RDKit.MolDraw2DSVG
 
addMoleculeMetadata(ROMol) - Method in class org.RDKit.MolDraw2DSVG
 
addMoleculeMetadata(SWIGTYPE_p_std__vectorT_RDKit__ROMol_p_t, Int_Vect) - Method in class org.RDKit.MolDraw2DSVG
 
addMoleculeMetadata(SWIGTYPE_p_std__vectorT_RDKit__ROMol_p_t) - Method in class org.RDKit.MolDraw2DSVG
 
addProductTemplate(ROMol) - Method in class org.RDKit.ChemicalReaction
Adds a new product template.
addReactantTemplate(ROMol) - Method in class org.RDKit.ChemicalReaction
Adds a new reactant template.
addRecursiveQueries(ROMol, StringMolMap, String, SWIGTYPE_p_std__vectorT_std__pairT_unsigned_int_std__string_t_t) - Static method in class org.RDKit.RDKFuncs
 
addRecursiveQueries(ROMol, StringMolMap, String) - Static method in class org.RDKit.RDKFuncs
 
addRecursiveQueries__SWIG_0(long, ROMol, long, StringMolMap, String, long) - Static method in class org.RDKit.RDKFuncsJNI
 
addRecursiveQueries__SWIG_1(long, ROMol, long, StringMolMap, String) - Static method in class org.RDKit.RDKFuncsJNI
 
addRecursiveQueriesToReaction(ChemicalReaction, StringMolMap, String, SWIGTYPE_p_std__vectorT_std__vectorT_std__pairT_unsigned_int_std__string_t_t_t) - Static method in class org.RDKit.RDKFuncs
 
addRecursiveQueriesToReaction(ChemicalReaction, StringMolMap, String) - Static method in class org.RDKit.RDKFuncs
 
addRecursiveQueriesToReaction__SWIG_0(long, ChemicalReaction, long, StringMolMap, String, long) - Static method in class org.RDKit.RDKFuncsJNI
 
addRecursiveQueriesToReaction__SWIG_1(long, ChemicalReaction, long, StringMolMap, String) - Static method in class org.RDKit.RDKFuncsJNI
 
addRing(Int_Vect, Int_Vect) - Method in class org.RDKit.RingInfo
adds a ring to our data
addSmiles(String) - Method in class org.RDKit.CachedSmilesMolHolder
 
addSmiles(String) - Method in class org.RDKit.CachedTrustedSmilesMolHolder
 
addSnapshot(Snapshot) - Method in class org.RDKit.Trajectory
 
ADJUST_IGNOREALL_get() - Static method in class org.RDKit.RDKFuncsJNI
 
ADJUST_IGNORECHAINS_get() - Static method in class org.RDKit.RDKFuncsJNI
 
ADJUST_IGNOREDUMMIES_get() - Static method in class org.RDKit.RDKFuncsJNI
 
ADJUST_IGNOREMAPPED_get() - Static method in class org.RDKit.RDKFuncsJNI
 
ADJUST_IGNORENONDUMMIES_get() - Static method in class org.RDKit.RDKFuncsJNI
 
ADJUST_IGNORENONE_get() - Static method in class org.RDKit.RDKFuncsJNI
 
ADJUST_IGNORERINGS_get() - Static method in class org.RDKit.RDKFuncsJNI
 
adjustHs(RWMol) - Static method in class org.RDKit.RDKFuncs
adjust the number of implicit and explicit Hs for special cases
adjustHs(long, RWMol) - Static method in class org.RDKit.RDKFuncsJNI
 
AdjustQueryParameters - Class in org.RDKit
 
AdjustQueryParameters(long, boolean) - Constructor for class org.RDKit.AdjustQueryParameters
 
AdjustQueryParameters() - Constructor for class org.RDKit.AdjustQueryParameters
 
AdjustQueryParameters_adjustDegree_get(long, AdjustQueryParameters) - Static method in class org.RDKit.RDKFuncsJNI
 
AdjustQueryParameters_adjustDegree_set(long, AdjustQueryParameters, boolean) - Static method in class org.RDKit.RDKFuncsJNI
 
AdjustQueryParameters_adjustDegreeFlags_get(long, AdjustQueryParameters) - Static method in class org.RDKit.RDKFuncsJNI
 
AdjustQueryParameters_adjustDegreeFlags_set(long, AdjustQueryParameters, long) - Static method in class org.RDKit.RDKFuncsJNI
 
AdjustQueryParameters_adjustHeavyDegree_get(long, AdjustQueryParameters) - Static method in class org.RDKit.RDKFuncsJNI
 
AdjustQueryParameters_adjustHeavyDegree_set(long, AdjustQueryParameters, boolean) - Static method in class org.RDKit.RDKFuncsJNI
 
AdjustQueryParameters_adjustHeavyDegreeFlags_get(long, AdjustQueryParameters) - Static method in class org.RDKit.RDKFuncsJNI
 
AdjustQueryParameters_adjustHeavyDegreeFlags_set(long, AdjustQueryParameters, long) - Static method in class org.RDKit.RDKFuncsJNI
 
AdjustQueryParameters_adjustRingChain_get(long, AdjustQueryParameters) - Static method in class org.RDKit.RDKFuncsJNI
 
AdjustQueryParameters_adjustRingChain_set(long, AdjustQueryParameters, boolean) - Static method in class org.RDKit.RDKFuncsJNI
 
AdjustQueryParameters_adjustRingChainFlags_get(long, AdjustQueryParameters) - Static method in class org.RDKit.RDKFuncsJNI
 
AdjustQueryParameters_adjustRingChainFlags_set(long, AdjustQueryParameters, long) - Static method in class org.RDKit.RDKFuncsJNI
 
AdjustQueryParameters_adjustRingCount_get(long, AdjustQueryParameters) - Static method in class org.RDKit.RDKFuncsJNI
 
AdjustQueryParameters_adjustRingCount_set(long, AdjustQueryParameters, boolean) - Static method in class org.RDKit.RDKFuncsJNI
 
AdjustQueryParameters_adjustRingCountFlags_get(long, AdjustQueryParameters) - Static method in class org.RDKit.RDKFuncsJNI
 
AdjustQueryParameters_adjustRingCountFlags_set(long, AdjustQueryParameters, long) - Static method in class org.RDKit.RDKFuncsJNI
 
AdjustQueryParameters_aromatizeIfPossible_get(long, AdjustQueryParameters) - Static method in class org.RDKit.RDKFuncsJNI
 
AdjustQueryParameters_aromatizeIfPossible_set(long, AdjustQueryParameters, boolean) - Static method in class org.RDKit.RDKFuncsJNI
 
AdjustQueryParameters_makeAtomsGeneric_get(long, AdjustQueryParameters) - Static method in class org.RDKit.RDKFuncsJNI
 
AdjustQueryParameters_makeAtomsGeneric_set(long, AdjustQueryParameters, boolean) - Static method in class org.RDKit.RDKFuncsJNI
 
AdjustQueryParameters_makeAtomsGenericFlags_get(long, AdjustQueryParameters) - Static method in class org.RDKit.RDKFuncsJNI
 
AdjustQueryParameters_makeAtomsGenericFlags_set(long, AdjustQueryParameters, long) - Static method in class org.RDKit.RDKFuncsJNI
 
AdjustQueryParameters_makeBondsGeneric_get(long, AdjustQueryParameters) - Static method in class org.RDKit.RDKFuncsJNI
 
AdjustQueryParameters_makeBondsGeneric_set(long, AdjustQueryParameters, boolean) - Static method in class org.RDKit.RDKFuncsJNI
 
AdjustQueryParameters_makeBondsGenericFlags_get(long, AdjustQueryParameters) - Static method in class org.RDKit.RDKFuncsJNI
 
AdjustQueryParameters_makeBondsGenericFlags_set(long, AdjustQueryParameters, long) - Static method in class org.RDKit.RDKFuncsJNI
 
AdjustQueryParameters_makeDummiesQueries_get(long, AdjustQueryParameters) - Static method in class org.RDKit.RDKFuncsJNI
 
AdjustQueryParameters_makeDummiesQueries_set(long, AdjustQueryParameters, boolean) - Static method in class org.RDKit.RDKFuncsJNI
 
adjustQueryProperties(ROMol, AdjustQueryParameters) - Static method in class org.RDKit.RDKFuncs
 
adjustQueryProperties(ROMol) - Static method in class org.RDKit.RDKFuncs
 
adjustQueryProperties(RWMol, AdjustQueryParameters) - Static method in class org.RDKit.RDKFuncs
 
adjustQueryProperties(RWMol) - Static method in class org.RDKit.RDKFuncs
 
adjustQueryProperties__SWIG_0(long, ROMol, long, AdjustQueryParameters) - Static method in class org.RDKit.RDKFuncsJNI
 
adjustQueryProperties__SWIG_1(long, ROMol) - Static method in class org.RDKit.RDKFuncsJNI
 
adjustQueryProperties__SWIG_2(long, RWMol, long, AdjustQueryParameters) - Static method in class org.RDKit.RDKFuncsJNI
 
adjustQueryProperties__SWIG_3(long, RWMol) - Static method in class org.RDKit.RDKFuncsJNI
 
AdjustQueryWhichFlags - Enum in org.RDKit
 
alignMol(ROMol, int, int, Match_Vect, SWIGTYPE_p_RDNumeric__VectorT_double_t, boolean, long) - Method in class org.RDKit.ROMol
 
alignMol(ROMol, int, int, Match_Vect, SWIGTYPE_p_RDNumeric__VectorT_double_t, boolean) - Method in class org.RDKit.ROMol
 
alignMol(ROMol, int, int, Match_Vect, SWIGTYPE_p_RDNumeric__VectorT_double_t) - Method in class org.RDKit.ROMol
 
alignMol(ROMol, int, int, Match_Vect) - Method in class org.RDKit.ROMol
 
alignMol(ROMol, int, int) - Method in class org.RDKit.ROMol
 
alignMol(ROMol, int) - Method in class org.RDKit.ROMol
 
alignMol(ROMol) - Method in class org.RDKit.ROMol
 
alignMolConformers(ROMol, UInt_Vect, UInt_Vect, SWIGTYPE_p_RDNumeric__VectorT_double_t, boolean, long) - Method in class org.RDKit.ROMol
 
alignMolConformers(ROMol, UInt_Vect, UInt_Vect, SWIGTYPE_p_RDNumeric__VectorT_double_t, boolean) - Method in class org.RDKit.ROMol
 
alignMolConformers(ROMol, UInt_Vect, UInt_Vect, SWIGTYPE_p_RDNumeric__VectorT_double_t) - Method in class org.RDKit.ROMol
 
alignMolConformers(ROMol, UInt_Vect, UInt_Vect) - Method in class org.RDKit.ROMol
 
alignMolConformers(ROMol, UInt_Vect) - Method in class org.RDKit.ROMol
 
alignMolConformers(ROMol) - Method in class org.RDKit.ROMol
 
AllBitSimilarity(ExplicitBitVect, ExplicitBitVect) - Static method in class org.RDKit.RDKFuncs
 
AllBitSimilarity(long, ExplicitBitVect, long, ExplicitBitVect) - Static method in class org.RDKit.RDKFuncsJNI
 
AllProbeBitsMatch(String, String) - Static method in class org.RDKit.RDKFuncs
 
AllProbeBitsMatch(ExplicitBitVect, ExplicitBitVect) - Static method in class org.RDKit.RDKFuncs
 
AllProbeBitsMatch(ExplicitBitVect, String) - Static method in class org.RDKit.RDKFuncs
 
AllProbeBitsMatch__SWIG_0(String, String) - Static method in class org.RDKit.RDKFuncsJNI
 
AllProbeBitsMatch__SWIG_2(long, ExplicitBitVect, long, ExplicitBitVect) - Static method in class org.RDKit.RDKFuncsJNI
 
AllProbeBitsMatch__SWIG_5(long, ExplicitBitVect, String) - Static method in class org.RDKit.RDKFuncsJNI
 
AllProps - Static variable in class org.RDKit.PropertyPickleOptions
 
AllProps_get() - Static method in class org.RDKit.RDKFuncsJNI
 
amideBondOrder_get() - Static method in class org.RDKit.RDKFuncsJNI
 
amwVersion_get() - Static method in class org.RDKit.RDKFuncsJNI
 
AngleBendContrib - Class in org.RDKit
 
AngleBendContrib(long, boolean) - Constructor for class org.RDKit.AngleBendContrib
 
AngleBendContrib() - Constructor for class org.RDKit.AngleBendContrib
 
AngleBendContrib(ForceField, long, long, long, double, double, AtomicParams, AtomicParams, AtomicParams, long) - Constructor for class org.RDKit.AngleBendContrib
 
AngleBendContrib(ForceField, long, long, long, double, double, AtomicParams, AtomicParams, AtomicParams) - Constructor for class org.RDKit.AngleBendContrib
 
AngleBendContrib_copy(long, AngleBendContrib) - Static method in class org.RDKit.RDKFuncsJNI
 
AngleBendContrib_getEnergy(long, AngleBendContrib, long) - Static method in class org.RDKit.RDKFuncsJNI
 
AngleBendContrib_getGrad(long, AngleBendContrib, long, long) - Static method in class org.RDKit.RDKFuncsJNI
 
AngleBendContrib_SWIGSmartPtrUpcast(long) - Static method in class org.RDKit.RDKFuncsJNI
 
angleTo(Point2D) - Method in class org.RDKit.Point2D
 
angleTo(Point3D) - Method in class org.RDKit.Point3D
determines the angle between a vector to this point from the origin and a vector to the other point.
angleTo(PointND) - Method in class org.RDKit.PointND
 
AromaticAtomIterator - Class in org.RDKit
 
AromaticAtomIterator(long, boolean) - Constructor for class org.RDKit.AromaticAtomIterator
 
AromaticAtomIterator() - Constructor for class org.RDKit.AromaticAtomIterator
 
AromaticAtomIterator(ROMol) - Constructor for class org.RDKit.AromaticAtomIterator
 
AromaticAtomIterator(ROMol, int) - Constructor for class org.RDKit.AromaticAtomIterator
 
AromaticAtomIterator(AromaticAtomIterator) - Constructor for class org.RDKit.AromaticAtomIterator
 
AromaticAtomIterator_eq(long, AromaticAtomIterator, long, AromaticAtomIterator) - Static method in class org.RDKit.RDKFuncsJNI
 
AromaticAtomIterator_getAtom(long, AromaticAtomIterator) - Static method in class org.RDKit.RDKFuncsJNI
 
AromaticAtomIterator_ne(long, AromaticAtomIterator, long, AromaticAtomIterator) - Static method in class org.RDKit.RDKFuncsJNI
 
AromaticAtomIterator_next__SWIG_0(long, AromaticAtomIterator) - Static method in class org.RDKit.RDKFuncsJNI
 
AromaticAtomIterator_next__SWIG_1(long, AromaticAtomIterator, int) - Static method in class org.RDKit.RDKFuncsJNI
 
AromaticAtomIterator_prev__SWIG_0(long, AromaticAtomIterator) - Static method in class org.RDKit.RDKFuncsJNI
 
AromaticAtomIterator_prev__SWIG_1(long, AromaticAtomIterator, int) - Static method in class org.RDKit.RDKFuncsJNI
 
AROMATICITY_CUSTOM_get() - Static method in class org.RDKit.RDKFuncsJNI
 
AROMATICITY_DEFAULT_get() - Static method in class org.RDKit.RDKFuncsJNI
 
AROMATICITY_MDL_get() - Static method in class org.RDKit.RDKFuncsJNI
 
AROMATICITY_RDKIT_get() - Static method in class org.RDKit.RDKFuncsJNI
 
AROMATICITY_SIMPLE_get() - Static method in class org.RDKit.RDKFuncsJNI
 
AromaticityModel - Enum in org.RDKit
 
assign(DoubleMatrix) - Method in class org.RDKit.DoubleMatrix
 
assign(IntMatrix) - Method in class org.RDKit.IntMatrix
 
assignBWPalette(ColourPalette) - Static method in class org.RDKit.RDKFuncs
 
assignBWPalette(long, ColourPalette) - Static method in class org.RDKit.RDKFuncsJNI
 
assignChiralTypesFrom3D(ROMol, int, boolean) - Static method in class org.RDKit.RDKFuncs
Uses a conformer to assign ChiralType to a molecule's atoms.
assignChiralTypesFrom3D(ROMol, int) - Static method in class org.RDKit.RDKFuncs
Uses a conformer to assign ChiralType to a molecule's atoms.
assignChiralTypesFrom3D(ROMol) - Static method in class org.RDKit.RDKFuncs
Uses a conformer to assign ChiralType to a molecule's atoms.
assignChiralTypesFrom3D__SWIG_0(long, ROMol, int, boolean) - Static method in class org.RDKit.RDKFuncsJNI
 
assignChiralTypesFrom3D__SWIG_1(long, ROMol, int) - Static method in class org.RDKit.RDKFuncsJNI
 
assignChiralTypesFrom3D__SWIG_2(long, ROMol) - Static method in class org.RDKit.RDKFuncsJNI
 
assignChiralTypesFromBondDirs(ROMol, int, boolean) - Static method in class org.RDKit.RDKFuncs
 
assignChiralTypesFromBondDirs(ROMol, int) - Static method in class org.RDKit.RDKFuncs
 
assignChiralTypesFromBondDirs(ROMol) - Static method in class org.RDKit.RDKFuncs
 
assignChiralTypesFromBondDirs__SWIG_0(long, ROMol, int, boolean) - Static method in class org.RDKit.RDKFuncsJNI
 
assignChiralTypesFromBondDirs__SWIG_1(long, ROMol, int) - Static method in class org.RDKit.RDKFuncsJNI
 
assignChiralTypesFromBondDirs__SWIG_2(long, ROMol) - Static method in class org.RDKit.RDKFuncsJNI
 
assignDefaultPalette(ColourPalette) - Static method in class org.RDKit.RDKFuncs
 
assignDefaultPalette(long, ColourPalette) - Static method in class org.RDKit.RDKFuncsJNI
 
assignRadicals(RWMol) - Static method in class org.RDKit.RDKFuncs
 
assignRadicals(long, RWMol) - Static method in class org.RDKit.RDKFuncsJNI
 
assignStereochemistry(ROMol, boolean, boolean, boolean) - Static method in class org.RDKit.RDKFuncs
 
assignStereochemistry(ROMol, boolean, boolean) - Static method in class org.RDKit.RDKFuncs
Assign stereochemistry tags to atoms (i.e.
assignStereochemistry(ROMol, boolean) - Static method in class org.RDKit.RDKFuncs
Assign stereochemistry tags to atoms (i.e.
assignStereochemistry(ROMol) - Static method in class org.RDKit.RDKFuncs
Assign stereochemistry tags to atoms (i.e.
assignStereochemistry__SWIG_0(long, ROMol, boolean, boolean, boolean) - Static method in class org.RDKit.RDKFuncsJNI
 
assignStereochemistry__SWIG_1(long, ROMol, boolean, boolean) - Static method in class org.RDKit.RDKFuncsJNI
 
assignStereochemistry__SWIG_2(long, ROMol, boolean) - Static method in class org.RDKit.RDKFuncsJNI
 
assignStereochemistry__SWIG_3(long, ROMol) - Static method in class org.RDKit.RDKFuncsJNI
 
assignStereochemistryFrom3D(ROMol, int, boolean) - Static method in class org.RDKit.RDKFuncs
 
assignStereochemistryFrom3D(ROMol, int) - Static method in class org.RDKit.RDKFuncs
 
assignStereochemistryFrom3D(ROMol) - Static method in class org.RDKit.RDKFuncs
 
assignStereochemistryFrom3D__SWIG_0(long, ROMol, int, boolean) - Static method in class org.RDKit.RDKFuncsJNI
 
assignStereochemistryFrom3D__SWIG_1(long, ROMol, int) - Static method in class org.RDKit.RDKFuncsJNI
 
assignStereochemistryFrom3D__SWIG_2(long, ROMol) - Static method in class org.RDKit.RDKFuncsJNI
 
AsymmetricSimilarity(ExplicitBitVect, ExplicitBitVect) - Static method in class org.RDKit.RDKFuncs
 
AsymmetricSimilarity(long, ExplicitBitVect, long, ExplicitBitVect) - Static method in class org.RDKit.RDKFuncsJNI
 
atEnd() - Method in class org.RDKit.ForwardSDMolSupplier
 
atEnd() - Method in class org.RDKit.MolSupplier
 
atEnd() - Method in class org.RDKit.PDBMolSupplier
 
atEnd() - Method in class org.RDKit.ResonanceMolSupplier
 
atEnd() - Method in class org.RDKit.SDMolSupplier
 
atEnd() - Method in class org.RDKit.SmilesMolSupplier
 
atEnd() - Method in class org.RDKit.TDTMolSupplier
 
Atom - Class in org.RDKit
The class for representing atoms.
Atom(long, boolean) - Constructor for class org.RDKit.Atom
 
Atom() - Constructor for class org.RDKit.Atom
 
Atom(long) - Constructor for class org.RDKit.Atom
 
Atom(String) - Constructor for class org.RDKit.Atom
 
Atom(Atom) - Constructor for class org.RDKit.Atom
 
Atom.ChiralType - Enum in org.RDKit
 
Atom.HybridizationType - Enum in org.RDKit
 
Atom_atomHasConjugatedBond(long, Atom) - Static method in class org.RDKit.RDKFuncsJNI
 
Atom_calcExplicitValence__SWIG_0(long, Atom, boolean) - Static method in class org.RDKit.RDKFuncsJNI
 
Atom_calcExplicitValence__SWIG_1(long, Atom) - Static method in class org.RDKit.RDKFuncsJNI
 
Atom_calcImplicitValence__SWIG_0(long, Atom, boolean) - Static method in class org.RDKit.RDKFuncsJNI
 
Atom_calcImplicitValence__SWIG_1(long, Atom) - Static method in class org.RDKit.RDKFuncsJNI
 
Atom_CHI_UNSPECIFIED_get() - Static method in class org.RDKit.RDKFuncsJNI
 
Atom_copy(long, Atom) - Static method in class org.RDKit.RDKFuncsJNI
 
Atom_expandQuery__SWIG_0(long, Atom, long, int, boolean) - Static method in class org.RDKit.RDKFuncsJNI
 
Atom_expandQuery__SWIG_1(long, Atom, long, int) - Static method in class org.RDKit.RDKFuncsJNI
 
Atom_expandQuery__SWIG_2(long, Atom, long) - Static method in class org.RDKit.RDKFuncsJNI
 
Atom_getAtomicNum(long, Atom) - Static method in class org.RDKit.RDKFuncsJNI
 
Atom_getAtomMapNum(long, Atom) - Static method in class org.RDKit.RDKFuncsJNI
 
Atom_getBonds(long, Atom) - Static method in class org.RDKit.RDKFuncsJNI
 
Atom_getChiralTag(long, Atom) - Static method in class org.RDKit.RDKFuncsJNI
 
Atom_getDegree(long, Atom) - Static method in class org.RDKit.RDKFuncsJNI
 
Atom_getExplicitValence(long, Atom) - Static method in class org.RDKit.RDKFuncsJNI
 
Atom_getFormalCharge(long, Atom) - Static method in class org.RDKit.RDKFuncsJNI
 
Atom_getHybridization(long, Atom) - Static method in class org.RDKit.RDKFuncsJNI
 
Atom_getIdx(long, Atom) - Static method in class org.RDKit.RDKFuncsJNI
 
Atom_getImplicitValence(long, Atom) - Static method in class org.RDKit.RDKFuncsJNI
 
Atom_getIsAromatic(long, Atom) - Static method in class org.RDKit.RDKFuncsJNI
 
Atom_getIsotope(long, Atom) - Static method in class org.RDKit.RDKFuncsJNI
 
Atom_getMass(long, Atom) - Static method in class org.RDKit.RDKFuncsJNI
 
Atom_getMonomerInfo__SWIG_0(long, Atom) - Static method in class org.RDKit.RDKFuncsJNI
 
Atom_getNoImplicit(long, Atom) - Static method in class org.RDKit.RDKFuncsJNI
 
Atom_getNumExplicitHs(long, Atom) - Static method in class org.RDKit.RDKFuncsJNI
 
Atom_getNumImplicitHs(long, Atom) - Static method in class org.RDKit.RDKFuncsJNI
 
Atom_getNumRadicalElectrons(long, Atom) - Static method in class org.RDKit.RDKFuncsJNI
 
Atom_getOwningMol(long, Atom) - Static method in class org.RDKit.RDKFuncsJNI
 
Atom_getPerturbationOrder(long, Atom, long, Int_List) - Static method in class org.RDKit.RDKFuncsJNI
 
Atom_getProp(long, Atom, String) - Static method in class org.RDKit.RDKFuncsJNI
 
Atom_getQuery(long, Atom) - Static method in class org.RDKit.RDKFuncsJNI
 
Atom_getSymbol(long, Atom) - Static method in class org.RDKit.RDKFuncsJNI
 
Atom_getTotalDegree(long, Atom) - Static method in class org.RDKit.RDKFuncsJNI
 
Atom_getTotalNumHs__SWIG_0(long, Atom, boolean) - Static method in class org.RDKit.RDKFuncsJNI
 
Atom_getTotalNumHs__SWIG_1(long, Atom) - Static method in class org.RDKit.RDKFuncsJNI
 
Atom_getTotalValence(long, Atom) - Static method in class org.RDKit.RDKFuncsJNI
 
Atom_hasOwningMol(long, Atom) - Static method in class org.RDKit.RDKFuncsJNI
 
Atom_hasQuery(long, Atom) - Static method in class org.RDKit.RDKFuncsJNI
 
Atom_invertChirality(long, Atom) - Static method in class org.RDKit.RDKFuncsJNI
 
Atom_IsInRing(long, Atom) - Static method in class org.RDKit.RDKFuncsJNI
 
Atom_IsInRingSize(long, Atom, int) - Static method in class org.RDKit.RDKFuncsJNI
 
Atom_markConjAtomBonds(long, Atom) - Static method in class org.RDKit.RDKFuncsJNI
 
Atom_needsUpdatePropertyCache(long, Atom) - Static method in class org.RDKit.RDKFuncsJNI
 
Atom_numBondsPlusLonePairs(long, Atom) - Static method in class org.RDKit.RDKFuncsJNI
 
Atom_setAtomicNum(long, Atom, int) - Static method in class org.RDKit.RDKFuncsJNI
 
Atom_setAtomMapNum__SWIG_0(long, Atom, int, boolean) - Static method in class org.RDKit.RDKFuncsJNI
 
Atom_setAtomMapNum__SWIG_1(long, Atom, int) - Static method in class org.RDKit.RDKFuncsJNI
 
Atom_setChiralTag(long, Atom, int) - Static method in class org.RDKit.RDKFuncsJNI
 
Atom_setFormalCharge(long, Atom, int) - Static method in class org.RDKit.RDKFuncsJNI
 
Atom_setHybridization(long, Atom, int) - Static method in class org.RDKit.RDKFuncsJNI
 
Atom_setIdx(long, Atom, long) - Static method in class org.RDKit.RDKFuncsJNI
 
Atom_setIsAromatic(long, Atom, boolean) - Static method in class org.RDKit.RDKFuncsJNI
 
Atom_setIsotope(long, Atom, long) - Static method in class org.RDKit.RDKFuncsJNI
 
Atom_setMonomerInfo(long, Atom, long, AtomMonomerInfo) - Static method in class org.RDKit.RDKFuncsJNI
 
Atom_setNoImplicit(long, Atom, boolean) - Static method in class org.RDKit.RDKFuncsJNI
 
Atom_setNumExplicitHs(long, Atom, long) - Static method in class org.RDKit.RDKFuncsJNI
 
Atom_setNumRadicalElectrons(long, Atom, long) - Static method in class org.RDKit.RDKFuncsJNI
 
Atom_setQuery(long, Atom, long) - Static method in class org.RDKit.RDKFuncsJNI
 
Atom_SWIGSmartPtrUpcast(long) - Static method in class org.RDKit.RDKFuncsJNI
 
Atom_transformAtom(long, Atom, long, Transform3D) - Static method in class org.RDKit.RDKFuncsJNI
 
Atom_UNSPECIFIED_get() - Static method in class org.RDKit.RDKFuncsJNI
 
Atom_updatePropertyCache__SWIG_0(long, Atom, boolean) - Static method in class org.RDKit.RDKFuncsJNI
 
Atom_updatePropertyCache__SWIG_1(long, Atom) - Static method in class org.RDKit.RDKFuncsJNI
 
Atom_Vect - Class in org.RDKit
 
Atom_Vect(long, boolean) - Constructor for class org.RDKit.Atom_Vect
 
Atom_Vect() - Constructor for class org.RDKit.Atom_Vect
 
Atom_Vect(long) - Constructor for class org.RDKit.Atom_Vect
 
Atom_Vect_add(long, Atom_Vect, long, Atom) - Static method in class org.RDKit.RDKFuncsJNI
 
Atom_Vect_capacity(long, Atom_Vect) - Static method in class org.RDKit.RDKFuncsJNI
 
Atom_Vect_clear(long, Atom_Vect) - Static method in class org.RDKit.RDKFuncsJNI
 
Atom_Vect_equals(long, Atom_Vect, long, Atom_Vect) - Static method in class org.RDKit.RDKFuncsJNI
 
Atom_Vect_get(long, Atom_Vect, int) - Static method in class org.RDKit.RDKFuncsJNI
 
Atom_Vect_isEmpty(long, Atom_Vect) - Static method in class org.RDKit.RDKFuncsJNI
 
Atom_Vect_reserve(long, Atom_Vect, long) - Static method in class org.RDKit.RDKFuncsJNI
 
Atom_Vect_set(long, Atom_Vect, int, long, Atom) - Static method in class org.RDKit.RDKFuncsJNI
 
Atom_Vect_size(long, Atom_Vect) - Static method in class org.RDKit.RDKFuncsJNI
 
AtomColors - Enum in org.RDKit
 
AtomComparator - Enum in org.RDKit
 
atomCoords() - Method in class org.RDKit.MolDraw2D
 
atomHasConjugatedBond() - Method in class org.RDKit.Atom
 
atomHasConjugatedBond(Atom) - Static method in class org.RDKit.RDKFuncs
 
atomHasConjugatedBond(long, Atom) - Static method in class org.RDKit.RDKFuncsJNI
 
Atomic_Params_Vect - Class in org.RDKit
 
Atomic_Params_Vect(long, boolean) - Constructor for class org.RDKit.Atomic_Params_Vect
 
Atomic_Params_Vect() - Constructor for class org.RDKit.Atomic_Params_Vect
 
Atomic_Params_Vect(long) - Constructor for class org.RDKit.Atomic_Params_Vect
 
Atomic_Params_Vect_add(long, Atomic_Params_Vect, long, AtomicParams) - Static method in class org.RDKit.RDKFuncsJNI
 
Atomic_Params_Vect_capacity(long, Atomic_Params_Vect) - Static method in class org.RDKit.RDKFuncsJNI
 
Atomic_Params_Vect_clear(long, Atomic_Params_Vect) - Static method in class org.RDKit.RDKFuncsJNI
 
Atomic_Params_Vect_equals(long, Atomic_Params_Vect, long, Atomic_Params_Vect) - Static method in class org.RDKit.RDKFuncsJNI
 
Atomic_Params_Vect_get(long, Atomic_Params_Vect, int) - Static method in class org.RDKit.RDKFuncsJNI
 
Atomic_Params_Vect_isEmpty(long, Atomic_Params_Vect) - Static method in class org.RDKit.RDKFuncsJNI
 
Atomic_Params_Vect_reserve(long, Atomic_Params_Vect, long) - Static method in class org.RDKit.RDKFuncsJNI
 
Atomic_Params_Vect_set(long, Atomic_Params_Vect, int, long, AtomicParams) - Static method in class org.RDKit.RDKFuncsJNI
 
Atomic_Params_Vect_size(long, Atomic_Params_Vect) - Static method in class org.RDKit.RDKFuncsJNI
 
atomicData - Class in org.RDKit
 
atomicData(long, boolean) - Constructor for class org.RDKit.atomicData
 
atomicData(String) - Constructor for class org.RDKit.atomicData
 
atomicData_AtomicNum(long, atomicData) - Static method in class org.RDKit.RDKFuncsJNI
 
atomicData_d_isotopeInfoMap_get(long, atomicData) - Static method in class org.RDKit.RDKFuncsJNI
 
atomicData_d_isotopeInfoMap_set(long, atomicData, long) - Static method in class org.RDKit.RDKFuncsJNI
 
atomicData_DefaultValence(long, atomicData) - Static method in class org.RDKit.RDKFuncsJNI
 
atomicData_Mass(long, atomicData) - Static method in class org.RDKit.RDKFuncsJNI
 
atomicData_MostCommonIsotope(long, atomicData) - Static method in class org.RDKit.RDKFuncsJNI
 
atomicData_MostCommonIsotopeMass(long, atomicData) - Static method in class org.RDKit.RDKFuncsJNI
 
atomicData_NumOuterShellElec(long, atomicData) - Static method in class org.RDKit.RDKFuncsJNI
 
atomicData_NumValence(long, atomicData) - Static method in class org.RDKit.RDKFuncsJNI
 
atomicData_Rb0(long, atomicData) - Static method in class org.RDKit.RDKFuncsJNI
 
atomicData_Rcov(long, atomicData) - Static method in class org.RDKit.RDKFuncsJNI
 
atomicData_Rvdw(long, atomicData) - Static method in class org.RDKit.RDKFuncsJNI
 
atomicData_Symbol(long, atomicData) - Static method in class org.RDKit.RDKFuncsJNI
 
atomicData_ValenceList(long, atomicData) - Static method in class org.RDKit.RDKFuncsJNI
 
AtomicNum() - Method in class org.RDKit.atomicData
 
AtomicParams - Class in org.RDKit
 
AtomicParams(long, boolean) - Constructor for class org.RDKit.AtomicParams
 
AtomicParams() - Constructor for class org.RDKit.AtomicParams
 
AtomicParams_D1_get(long, AtomicParams) - Static method in class org.RDKit.RDKFuncsJNI
 
AtomicParams_D1_set(long, AtomicParams, double) - Static method in class org.RDKit.RDKFuncsJNI
 
AtomicParams_GMP_Hardness_get(long, AtomicParams) - Static method in class org.RDKit.RDKFuncsJNI
 
AtomicParams_GMP_Hardness_set(long, AtomicParams, double) - Static method in class org.RDKit.RDKFuncsJNI
 
AtomicParams_GMP_Radius_get(long, AtomicParams) - Static method in class org.RDKit.RDKFuncsJNI
 
AtomicParams_GMP_Radius_set(long, AtomicParams, double) - Static method in class org.RDKit.RDKFuncsJNI
 
AtomicParams_GMP_Xi_get(long, AtomicParams) - Static method in class org.RDKit.RDKFuncsJNI
 
AtomicParams_GMP_Xi_set(long, AtomicParams, double) - Static method in class org.RDKit.RDKFuncsJNI
 
AtomicParams_r1_get(long, AtomicParams) - Static method in class org.RDKit.RDKFuncsJNI
 
AtomicParams_r1_set(long, AtomicParams, double) - Static method in class org.RDKit.RDKFuncsJNI
 
AtomicParams_theta0_get(long, AtomicParams) - Static method in class org.RDKit.RDKFuncsJNI
 
AtomicParams_theta0_set(long, AtomicParams, double) - Static method in class org.RDKit.RDKFuncsJNI
 
AtomicParams_U1_get(long, AtomicParams) - Static method in class org.RDKit.RDKFuncsJNI
 
AtomicParams_U1_set(long, AtomicParams, double) - Static method in class org.RDKit.RDKFuncsJNI
 
AtomicParams_V1_get(long, AtomicParams) - Static method in class org.RDKit.RDKFuncsJNI
 
AtomicParams_V1_set(long, AtomicParams, double) - Static method in class org.RDKit.RDKFuncsJNI
 
AtomicParams_x1_get(long, AtomicParams) - Static method in class org.RDKit.RDKFuncsJNI
 
AtomicParams_x1_set(long, AtomicParams, double) - Static method in class org.RDKit.RDKFuncsJNI
 
AtomicParams_Z1_get(long, AtomicParams) - Static method in class org.RDKit.RDKFuncsJNI
 
AtomicParams_Z1_set(long, AtomicParams, double) - Static method in class org.RDKit.RDKFuncsJNI
 
AtomicParams_zeta_get(long, AtomicParams) - Static method in class org.RDKit.RDKFuncsJNI
 
AtomicParams_zeta_set(long, AtomicParams, double) - Static method in class org.RDKit.RDKFuncsJNI
 
AtomIndexLabels_get() - Static method in class org.RDKit.RDKFuncsJNI
 
AtomIterator - Class in org.RDKit
 
AtomIterator(long, boolean) - Constructor for class org.RDKit.AtomIterator
 
AtomIterator() - Constructor for class org.RDKit.AtomIterator
 
AtomIterator(ROMol) - Constructor for class org.RDKit.AtomIterator
 
AtomIterator(ROMol, int) - Constructor for class org.RDKit.AtomIterator
 
AtomIterator(AtomIterator) - Constructor for class org.RDKit.AtomIterator
 
AtomIterator_eq(long, AtomIterator, long, AtomIterator) - Static method in class org.RDKit.RDKFuncsJNI
 
AtomIterator_getAtom(long, AtomIterator) - Static method in class org.RDKit.RDKFuncsJNI
 
AtomIterator_ne(long, AtomIterator, long, AtomIterator) - Static method in class org.RDKit.RDKFuncsJNI
 
AtomIterator_next__SWIG_0(long, AtomIterator) - Static method in class org.RDKit.RDKFuncsJNI
 
AtomIterator_next__SWIG_1(long, AtomIterator, int) - Static method in class org.RDKit.RDKFuncsJNI
 
AtomIterator_prev__SWIG_0(long, AtomIterator) - Static method in class org.RDKit.RDKFuncsJNI
 
AtomIterator_prev__SWIG_1(long, AtomIterator, int) - Static method in class org.RDKit.RDKFuncsJNI
 
AtomKekulizeException - Exception in org.RDKit
 
AtomKekulizeException(long, boolean) - Constructor for exception org.RDKit.AtomKekulizeException
 
AtomKekulizeException(String, long) - Constructor for exception org.RDKit.AtomKekulizeException
 
AtomKekulizeException(AtomKekulizeException) - Constructor for exception org.RDKit.AtomKekulizeException
 
AtomKekulizeException_copy(long, AtomKekulizeException) - Static method in class org.RDKit.RDKFuncsJNI
 
AtomKekulizeException_dynamic_cast(long, MolSanitizeException) - Static method in class org.RDKit.RDKFuncsJNI
 
AtomKekulizeException_getType(long, AtomKekulizeException) - Static method in class org.RDKit.RDKFuncsJNI
 
AtomKekulizeException_SWIGSmartPtrUpcast(long) - Static method in class org.RDKit.RDKFuncsJNI
 
atomLabel_get() - Static method in class org.RDKit.RDKFuncsJNI
 
AtomMap_get() - Static method in class org.RDKit.RDKFuncsJNI
 
AtomMapLabels_get() - Static method in class org.RDKit.RDKFuncsJNI
 
AtomMonomerInfo - Class in org.RDKit
 
AtomMonomerInfo(long, boolean) - Constructor for class org.RDKit.AtomMonomerInfo
 
AtomMonomerInfo() - Constructor for class org.RDKit.AtomMonomerInfo
 
AtomMonomerInfo(AtomMonomerInfo.AtomMonomerType, String) - Constructor for class org.RDKit.AtomMonomerInfo
 
AtomMonomerInfo(AtomMonomerInfo.AtomMonomerType) - Constructor for class org.RDKit.AtomMonomerInfo
 
AtomMonomerInfo(AtomMonomerInfo) - Constructor for class org.RDKit.AtomMonomerInfo
 
AtomMonomerInfo.AtomMonomerType - Enum in org.RDKit
 
AtomMonomerInfo_copy(long, AtomMonomerInfo) - Static method in class org.RDKit.RDKFuncsJNI
 
AtomMonomerInfo_getMonomerType(long, AtomMonomerInfo) - Static method in class org.RDKit.RDKFuncsJNI
 
AtomMonomerInfo_getName(long, AtomMonomerInfo) - Static method in class org.RDKit.RDKFuncsJNI
 
AtomMonomerInfo_setMonomerType(long, AtomMonomerInfo, int) - Static method in class org.RDKit.RDKFuncsJNI
 
AtomMonomerInfo_setName(long, AtomMonomerInfo, String) - Static method in class org.RDKit.RDKFuncsJNI
 
AtomMonomerInfo_UNKNOWN_get() - Static method in class org.RDKit.RDKFuncsJNI
 
atomNumberTypes_get() - Static method in class org.RDKit.RDKFuncsJNI
 
AtomPairFP_get() - Static method in class org.RDKit.RDKFuncsJNI
 
atomPairsVersion_get() - Static method in class org.RDKit.RDKFuncsJNI
 
AtomPDBResidueInfo - Class in org.RDKit
 
AtomPDBResidueInfo(long, boolean) - Constructor for class org.RDKit.AtomPDBResidueInfo
 
AtomPDBResidueInfo() - Constructor for class org.RDKit.AtomPDBResidueInfo
 
AtomPDBResidueInfo(AtomPDBResidueInfo) - Constructor for class org.RDKit.AtomPDBResidueInfo
 
AtomPDBResidueInfo(String, int, String, String, int, String, String, double, double, boolean, long, long) - Constructor for class org.RDKit.AtomPDBResidueInfo
 
AtomPDBResidueInfo(String, int, String, String, int, String, String, double, double, boolean, long) - Constructor for class org.RDKit.AtomPDBResidueInfo
 
AtomPDBResidueInfo(String, int, String, String, int, String, String, double, double, boolean) - Constructor for class org.RDKit.AtomPDBResidueInfo
 
AtomPDBResidueInfo(String, int, String, String, int, String, String, double, double) - Constructor for class org.RDKit.AtomPDBResidueInfo
 
AtomPDBResidueInfo(String, int, String, String, int, String, String, double) - Constructor for class org.RDKit.AtomPDBResidueInfo
 
AtomPDBResidueInfo(String, int, String, String, int, String, String) - Constructor for class org.RDKit.AtomPDBResidueInfo
 
AtomPDBResidueInfo(String, int, String, String, int, String) - Constructor for class org.RDKit.AtomPDBResidueInfo
 
AtomPDBResidueInfo(String, int, String, String, int) - Constructor for class org.RDKit.AtomPDBResidueInfo
 
AtomPDBResidueInfo(String, int, String, String) - Constructor for class org.RDKit.AtomPDBResidueInfo
 
AtomPDBResidueInfo(String, int, String) - Constructor for class org.RDKit.AtomPDBResidueInfo
 
AtomPDBResidueInfo(String, int) - Constructor for class org.RDKit.AtomPDBResidueInfo
 
AtomPDBResidueInfo(String) - Constructor for class org.RDKit.AtomPDBResidueInfo
 
AtomPDBResidueInfo_copy(long, AtomPDBResidueInfo) - Static method in class org.RDKit.RDKFuncsJNI
 
AtomPDBResidueInfo_getAltLoc(long, AtomPDBResidueInfo) - Static method in class org.RDKit.RDKFuncsJNI
 
AtomPDBResidueInfo_getChainId(long, AtomPDBResidueInfo) - Static method in class org.RDKit.RDKFuncsJNI
 
AtomPDBResidueInfo_getInsertionCode(long, AtomPDBResidueInfo) - Static method in class org.RDKit.RDKFuncsJNI
 
AtomPDBResidueInfo_getIsHeteroAtom(long, AtomPDBResidueInfo) - Static method in class org.RDKit.RDKFuncsJNI
 
AtomPDBResidueInfo_getOccupancy(long, AtomPDBResidueInfo) - Static method in class org.RDKit.RDKFuncsJNI
 
AtomPDBResidueInfo_getResidueName(long, AtomPDBResidueInfo) - Static method in class org.RDKit.RDKFuncsJNI
 
AtomPDBResidueInfo_getResidueNumber(long, AtomPDBResidueInfo) - Static method in class org.RDKit.RDKFuncsJNI
 
AtomPDBResidueInfo_getSecondaryStructure(long, AtomPDBResidueInfo) - Static method in class org.RDKit.RDKFuncsJNI
 
AtomPDBResidueInfo_getSegmentNumber(long, AtomPDBResidueInfo) - Static method in class org.RDKit.RDKFuncsJNI
 
AtomPDBResidueInfo_getSerialNumber(long, AtomPDBResidueInfo) - Static method in class org.RDKit.RDKFuncsJNI
 
AtomPDBResidueInfo_getTempFactor(long, AtomPDBResidueInfo) - Static method in class org.RDKit.RDKFuncsJNI
 
AtomPDBResidueInfo_setAltLoc(long, AtomPDBResidueInfo, String) - Static method in class org.RDKit.RDKFuncsJNI
 
AtomPDBResidueInfo_setChainId(long, AtomPDBResidueInfo, String) - Static method in class org.RDKit.RDKFuncsJNI
 
AtomPDBResidueInfo_setInsertionCode(long, AtomPDBResidueInfo, String) - Static method in class org.RDKit.RDKFuncsJNI
 
AtomPDBResidueInfo_setIsHeteroAtom(long, AtomPDBResidueInfo, boolean) - Static method in class org.RDKit.RDKFuncsJNI
 
AtomPDBResidueInfo_setOccupancy(long, AtomPDBResidueInfo, double) - Static method in class org.RDKit.RDKFuncsJNI
 
AtomPDBResidueInfo_setResidueName(long, AtomPDBResidueInfo, String) - Static method in class org.RDKit.RDKFuncsJNI
 
AtomPDBResidueInfo_setResidueNumber(long, AtomPDBResidueInfo, int) - Static method in class org.RDKit.RDKFuncsJNI
 
AtomPDBResidueInfo_setSecondaryStructure(long, AtomPDBResidueInfo, long) - Static method in class org.RDKit.RDKFuncsJNI
 
AtomPDBResidueInfo_setSegmentNumber(long, AtomPDBResidueInfo, long) - Static method in class org.RDKit.RDKFuncsJNI
 
AtomPDBResidueInfo_setSerialNumber(long, AtomPDBResidueInfo, int) - Static method in class org.RDKit.RDKFuncsJNI
 
AtomPDBResidueInfo_setTempFactor(long, AtomPDBResidueInfo, double) - Static method in class org.RDKit.RDKFuncsJNI
 
AtomPDBResidueInfo_SWIGUpcast(long) - Static method in class org.RDKit.RDKFuncsJNI
 
AtomProps - Static variable in class org.RDKit.PropertyPickleOptions
 
AtomProps_get() - Static method in class org.RDKit.RDKFuncsJNI
 
AtomRingQuery - Class in org.RDKit
 
AtomRingQuery(long, boolean) - Constructor for class org.RDKit.AtomRingQuery
 
AtomRingQuery() - Constructor for class org.RDKit.AtomRingQuery
 
AtomRingQuery(int) - Constructor for class org.RDKit.AtomRingQuery
 
AtomRingQuery_copy(long, AtomRingQuery) - Static method in class org.RDKit.RDKFuncsJNI
 
AtomRingQuery_Match(long, AtomRingQuery, long, Atom) - Static method in class org.RDKit.RDKFuncsJNI
 
atomRings() - Method in class org.RDKit.RingInfo
atoms() - Method in class org.RDKit.ROMol
 
AtomSanitizeException - Exception in org.RDKit
 
AtomSanitizeException(long, boolean) - Constructor for exception org.RDKit.AtomSanitizeException
 
AtomSanitizeException(String, long) - Constructor for exception org.RDKit.AtomSanitizeException
 
AtomSanitizeException(AtomSanitizeException) - Constructor for exception org.RDKit.AtomSanitizeException
 
AtomSanitizeException_copy(long, AtomSanitizeException) - Static method in class org.RDKit.RDKFuncsJNI
 
AtomSanitizeException_dynamic_cast(long, MolSanitizeException) - Static method in class org.RDKit.RDKFuncsJNI
 
AtomSanitizeException_getAtomIdx(long, AtomSanitizeException) - Static method in class org.RDKit.RDKFuncsJNI
 
AtomSanitizeException_getType(long, AtomSanitizeException) - Static method in class org.RDKit.RDKFuncsJNI
 
AtomSanitizeException_SWIGSmartPtrUpcast(long) - Static method in class org.RDKit.RDKFuncsJNI
 
atomSyms() - Method in class org.RDKit.MolDraw2D
 
AtomValenceException - Exception in org.RDKit
 
AtomValenceException(long, boolean) - Constructor for exception org.RDKit.AtomValenceException
 
AtomValenceException(String, long) - Constructor for exception org.RDKit.AtomValenceException
 
AtomValenceException(AtomValenceException) - Constructor for exception org.RDKit.AtomValenceException
 
AtomValenceException_copy(long, AtomValenceException) - Static method in class org.RDKit.RDKFuncsJNI
 
AtomValenceException_dynamic_cast(long, MolSanitizeException) - Static method in class org.RDKit.RDKFuncsJNI
 
AtomValenceException_getType(long, AtomValenceException) - Static method in class org.RDKit.RDKFuncsJNI
 
AtomValenceException_SWIGSmartPtrUpcast(long) - Static method in class org.RDKit.RDKFuncsJNI
 
AutoDetect_get() - Static method in class org.RDKit.RDKFuncsJNI
 
autoGetLabels(RWMol) - Method in class org.RDKit.RGroupDecompositionParameters
 
avalonSimilarityBits_get() - Static method in class org.RDKit.RDKFuncsJNI
 
avalonSSSBits_get() - Static method in class org.RDKit.RDKFuncsJNI
 
AxisType - Enum in org.RDKit
 

B

BalabanJ_get() - Static method in class org.RDKit.RDKFuncsJNI
 
BalanbanJ_get() - Static method in class org.RDKit.RDKFuncsJNI
 
beginAgentTemplates() - Method in class org.RDKit.ChemicalReaction
 
beginAromaticAtoms() - Method in class org.RDKit.ROMol
 
beginAtoms() - Method in class org.RDKit.ROMol
 
beginBonds() - Method in class org.RDKit.ROMol
 
beginConformers() - Method in class org.RDKit.ROMol
 
beginHeteros() - Method in class org.RDKit.ROMol
 
beginMatchingAtoms(SWIGTYPE_p_f_p_RDKit__Atom__bool) - Method in class org.RDKit.ROMol
 
beginMatchingAtoms(SWIGTYPE_p_f_p_q_const__RDKit__Atom__bool) - Method in class org.RDKit.ROMol
 
beginProductTemplates() - Method in class org.RDKit.ChemicalReaction
 
beginQueryAtoms(QueryAtom) - Method in class org.RDKit.ROMol
 
beginReactantTemplates() - Method in class org.RDKit.ChemicalReaction
 
BitInfoMap - Class in org.RDKit
 
BitInfoMap(long, boolean) - Constructor for class org.RDKit.BitInfoMap
 
BitInfoMap() - Constructor for class org.RDKit.BitInfoMap
 
BitInfoMap(BitInfoMap) - Constructor for class org.RDKit.BitInfoMap
 
BitInfoMap_clear(long, BitInfoMap) - Static method in class org.RDKit.RDKFuncsJNI
 
BitInfoMap_del(long, BitInfoMap, long) - Static method in class org.RDKit.RDKFuncsJNI
 
BitInfoMap_empty(long, BitInfoMap) - Static method in class org.RDKit.RDKFuncsJNI
 
BitInfoMap_get(long, BitInfoMap, long) - Static method in class org.RDKit.RDKFuncsJNI
 
BitInfoMap_has_key(long, BitInfoMap, long) - Static method in class org.RDKit.RDKFuncsJNI
 
BitInfoMap_set(long, BitInfoMap, long, long, UIntPairVect) - Static method in class org.RDKit.RDKFuncsJNI
 
BitInfoMap_size(long, BitInfoMap) - Static method in class org.RDKit.RDKFuncsJNI
 
BitVect - Class in org.RDKit
 
BitVect(long, boolean) - Constructor for class org.RDKit.BitVect
 
BitVect_clearBits(long, BitVect) - Static method in class org.RDKit.RDKFuncsJNI
 
BitVect_getBit(long, BitVect, long) - Static method in class org.RDKit.RDKFuncsJNI
 
BitVect_getNumBits(long, BitVect) - Static method in class org.RDKit.RDKFuncsJNI
 
BitVect_getNumOffBits(long, BitVect) - Static method in class org.RDKit.RDKFuncsJNI
 
BitVect_getNumOnBits(long, BitVect) - Static method in class org.RDKit.RDKFuncsJNI
 
BitVect_getOnBits(long, BitVect, long, Int_Vect) - Static method in class org.RDKit.RDKFuncsJNI
 
BitVect_initFromText__SWIG_0(long, BitVect, String, long, boolean, boolean) - Static method in class org.RDKit.RDKFuncsJNI
 
BitVect_initFromText__SWIG_1(long, BitVect, String, long, boolean) - Static method in class org.RDKit.RDKFuncsJNI
 
BitVect_initFromText__SWIG_2(long, BitVect, String, long) - Static method in class org.RDKit.RDKFuncsJNI
 
BitVect_setBit(long, BitVect, long) - Static method in class org.RDKit.RDKFuncsJNI
 
BitVect_size(long, BitVect) - Static method in class org.RDKit.RDKFuncsJNI
 
BitVect_toString(long, BitVect) - Static method in class org.RDKit.RDKFuncsJNI
 
BitVect_unsetBit(long, BitVect, long) - Static method in class org.RDKit.RDKFuncsJNI
 
BitVectToFPSText(ExplicitBitVect) - Static method in class org.RDKit.RDKFuncs
 
BitVectToFPSText(long, ExplicitBitVect) - Static method in class org.RDKit.RDKFuncsJNI
 
BitVectToText(ExplicitBitVect) - Static method in class org.RDKit.RDKFuncs
 
BitVectToText(long, ExplicitBitVect) - Static method in class org.RDKit.RDKFuncsJNI
 
Bond - Class in org.RDKit
class for representing a bond
Bond(long, boolean) - Constructor for class org.RDKit.Bond
 
Bond() - Constructor for class org.RDKit.Bond
 
Bond(Bond.BondType) - Constructor for class org.RDKit.Bond
 
Bond(Bond) - Constructor for class org.RDKit.Bond
 
Bond.BondDir - Enum in org.RDKit
 
Bond.BondStereo - Enum in org.RDKit
 
Bond.BondType - Enum in org.RDKit
 
Bond_copy(long, Bond) - Static method in class org.RDKit.RDKFuncsJNI
 
Bond_DetermineBondWedgeState(long, Bond, long, Int_Int_Map, long, Conformer) - Static method in class org.RDKit.RDKFuncsJNI
 
Bond_expandQuery__SWIG_0(long, Bond, long, int, boolean) - Static method in class org.RDKit.RDKFuncsJNI
 
Bond_expandQuery__SWIG_1(long, Bond, long, int) - Static method in class org.RDKit.RDKFuncsJNI
 
Bond_expandQuery__SWIG_2(long, Bond, long) - Static method in class org.RDKit.RDKFuncsJNI
 
Bond_getBeginAtom(long, Bond) - Static method in class org.RDKit.RDKFuncsJNI
 
Bond_getBeginAtomIdx(long, Bond) - Static method in class org.RDKit.RDKFuncsJNI
 
Bond_getBondDir(long, Bond) - Static method in class org.RDKit.RDKFuncsJNI
 
Bond_getBondType(long, Bond) - Static method in class org.RDKit.RDKFuncsJNI
 
Bond_getBondTypeAsDouble(long, Bond) - Static method in class org.RDKit.RDKFuncsJNI
 
Bond_getEndAtom(long, Bond) - Static method in class org.RDKit.RDKFuncsJNI
 
Bond_getEndAtomIdx(long, Bond) - Static method in class org.RDKit.RDKFuncsJNI
 
Bond_getIdx(long, Bond) - Static method in class org.RDKit.RDKFuncsJNI
 
Bond_getIsAromatic(long, Bond) - Static method in class org.RDKit.RDKFuncsJNI
 
Bond_getIsConjugated(long, Bond) - Static method in class org.RDKit.RDKFuncsJNI
 
Bond_getOtherAtom(long, Bond, long, Atom) - Static method in class org.RDKit.RDKFuncsJNI
 
Bond_getOtherAtomIdx(long, Bond, long) - Static method in class org.RDKit.RDKFuncsJNI
 
Bond_getOwningMol(long, Bond) - Static method in class org.RDKit.RDKFuncsJNI
 
Bond_getProp(long, Bond, String) - Static method in class org.RDKit.RDKFuncsJNI
 
Bond_getQuery(long, Bond) - Static method in class org.RDKit.RDKFuncsJNI
 
Bond_getStereo(long, Bond) - Static method in class org.RDKit.RDKFuncsJNI
 
Bond_getStereoAtoms__SWIG_0(long, Bond) - Static method in class org.RDKit.RDKFuncsJNI
 
Bond_hasOwningMol(long, Bond) - Static method in class org.RDKit.RDKFuncsJNI
 
Bond_hasQuery(long, Bond) - Static method in class org.RDKit.RDKFuncsJNI
 
Bond_IsInRing(long, Bond) - Static method in class org.RDKit.RDKFuncsJNI
 
Bond_IsInRingSize(long, Bond, int) - Static method in class org.RDKit.RDKFuncsJNI
 
Bond_NONE_get() - Static method in class org.RDKit.RDKFuncsJNI
 
Bond_setBeginAtomIdx(long, Bond, long) - Static method in class org.RDKit.RDKFuncsJNI
 
Bond_setBondDir(long, Bond, int) - Static method in class org.RDKit.RDKFuncsJNI
 
Bond_setBondType(long, Bond, int) - Static method in class org.RDKit.RDKFuncsJNI
 
Bond_setEndAtomIdx(long, Bond, long) - Static method in class org.RDKit.RDKFuncsJNI
 
Bond_setIdx(long, Bond, long) - Static method in class org.RDKit.RDKFuncsJNI
 
Bond_setIsAromatic(long, Bond, boolean) - Static method in class org.RDKit.RDKFuncsJNI
 
Bond_setIsConjugated(long, Bond, boolean) - Static method in class org.RDKit.RDKFuncsJNI
 
Bond_setOwningMol__SWIG_0(long, Bond, long, ROMol) - Static method in class org.RDKit.RDKFuncsJNI
 
Bond_setQuery(long, Bond, long) - Static method in class org.RDKit.RDKFuncsJNI
 
Bond_setStereo(long, Bond, int) - Static method in class org.RDKit.RDKFuncsJNI
 
Bond_setStereoAtoms(long, Bond, long, long) - Static method in class org.RDKit.RDKFuncsJNI
 
Bond_STEREONONE_get() - Static method in class org.RDKit.RDKFuncsJNI
 
Bond_SWIGSmartPtrUpcast(long) - Static method in class org.RDKit.RDKFuncsJNI
 
Bond_UNSPECIFIED_get() - Static method in class org.RDKit.RDKFuncsJNI
 
Bond_updatePropertyCache__SWIG_0(long, Bond, boolean) - Static method in class org.RDKit.RDKFuncsJNI
 
Bond_updatePropertyCache__SWIG_1(long, Bond) - Static method in class org.RDKit.RDKFuncsJNI
 
Bond_Vect - Class in org.RDKit
 
Bond_Vect(long, boolean) - Constructor for class org.RDKit.Bond_Vect
 
Bond_Vect() - Constructor for class org.RDKit.Bond_Vect
 
Bond_Vect(long) - Constructor for class org.RDKit.Bond_Vect
 
Bond_Vect_add(long, Bond_Vect, long, Bond) - Static method in class org.RDKit.RDKFuncsJNI
 
Bond_Vect_capacity(long, Bond_Vect) - Static method in class org.RDKit.RDKFuncsJNI
 
Bond_Vect_clear(long, Bond_Vect) - Static method in class org.RDKit.RDKFuncsJNI
 
Bond_Vect_equals(long, Bond_Vect, long, Bond_Vect) - Static method in class org.RDKit.RDKFuncsJNI
 
Bond_Vect_get(long, Bond_Vect, int) - Static method in class org.RDKit.RDKFuncsJNI
 
Bond_Vect_isEmpty(long, Bond_Vect) - Static method in class org.RDKit.RDKFuncsJNI
 
Bond_Vect_reserve(long, Bond_Vect, long) - Static method in class org.RDKit.RDKFuncsJNI
 
Bond_Vect_set(long, Bond_Vect, int, long, Bond) - Static method in class org.RDKit.RDKFuncsJNI
 
Bond_Vect_size(long, Bond_Vect) - Static method in class org.RDKit.RDKFuncsJNI
 
BondComparator - Enum in org.RDKit
 
BondIterator - Class in org.RDKit
iterator for a molecule's bonds, currently BiDirectional, but it theoretically ought to be RandomAccess.
BondIterator(long, boolean) - Constructor for class org.RDKit.BondIterator
 
BondIterator() - Constructor for class org.RDKit.BondIterator
 
BondIterator(ROMol) - Constructor for class org.RDKit.BondIterator
 
BondIterator(ROMol, SWIGTYPE_p_boost__adjacency_listT_boost__vecS_boost__vecS_boost__undirectedS_RDKit__Atom_p_RDKit__Bond_p_t__edge_iterator) - Constructor for class org.RDKit.BondIterator
 
BondIterator(BondIterator) - Constructor for class org.RDKit.BondIterator
 
BondIterator_eq(long, BondIterator, long, BondIterator) - Static method in class org.RDKit.RDKFuncsJNI
 
BondIterator_getBond(long, BondIterator) - Static method in class org.RDKit.RDKFuncsJNI
 
BondIterator_ne(long, BondIterator, long, BondIterator) - Static method in class org.RDKit.RDKFuncsJNI
 
BondIterator_next__SWIG_0(long, BondIterator) - Static method in class org.RDKit.RDKFuncsJNI
 
BondIterator_next__SWIG_1(long, BondIterator, int) - Static method in class org.RDKit.RDKFuncsJNI
 
BondIterator_prev__SWIG_0(long, BondIterator) - Static method in class org.RDKit.RDKFuncsJNI
 
BondIterator_prev__SWIG_1(long, BondIterator, int) - Static method in class org.RDKit.RDKFuncsJNI
 
bondListFromAtomList(ROMol, Int_Vect) - Static method in class org.RDKit.RDKFuncs
 
bondListFromAtomList(long, ROMol, long, Int_Vect) - Static method in class org.RDKit.RDKFuncsJNI
 
BondProps - Static variable in class org.RDKit.PropertyPickleOptions
 
BondProps_get() - Static method in class org.RDKit.RDKFuncsJNI
 
bondRings() - Method in class org.RDKit.RingInfo
bonds() - Method in class org.RDKit.ROMol
 
BondStretchContrib - Class in org.RDKit
 
BondStretchContrib(long, boolean) - Constructor for class org.RDKit.BondStretchContrib
 
BondStretchContrib() - Constructor for class org.RDKit.BondStretchContrib
 
BondStretchContrib(ForceField, long, long, double, AtomicParams, AtomicParams) - Constructor for class org.RDKit.BondStretchContrib
 
BondStretchContrib_copy(long, BondStretchContrib) - Static method in class org.RDKit.RDKFuncsJNI
 
BondStretchContrib_getEnergy(long, BondStretchContrib, long) - Static method in class org.RDKit.RDKFuncsJNI
 
BondStretchContrib_getGrad(long, BondStretchContrib, long, long) - Static method in class org.RDKit.RDKFuncsJNI
 
BondStretchContrib_SWIGSmartPtrUpcast(long) - Static method in class org.RDKit.RDKFuncsJNI
 
boostVersion_get() - Static method in class org.RDKit.RDKFuncsJNI
 
boostVersion_set(String) - Static method in class org.RDKit.RDKFuncsJNI
 
BoundsMatrix - Class in org.RDKit
 
BoundsMatrix(long, boolean) - Constructor for class org.RDKit.BoundsMatrix
 
BoundsMatrix(long) - Constructor for class org.RDKit.BoundsMatrix
 
BoundsMatrix(long, Shared_Double_Array) - Constructor for class org.RDKit.BoundsMatrix
 
BoundsMatrix_checkValid(long, BoundsMatrix) - Static method in class org.RDKit.RDKFuncsJNI
 
BoundsMatrix_getLowerBound(long, BoundsMatrix, long, long) - Static method in class org.RDKit.RDKFuncsJNI
 
BoundsMatrix_getUpperBound(long, BoundsMatrix, long, long) - Static method in class org.RDKit.RDKFuncsJNI
 
BoundsMatrix_setLowerBound(long, BoundsMatrix, long, long, double) - Static method in class org.RDKit.RDKFuncsJNI
 
BoundsMatrix_setLowerBoundIfBetter(long, BoundsMatrix, long, long, double) - Static method in class org.RDKit.RDKFuncsJNI
 
BoundsMatrix_setUpperBound(long, BoundsMatrix, long, long, double) - Static method in class org.RDKit.RDKFuncsJNI
 
BoundsMatrix_setUpperBoundIfBetter(long, BoundsMatrix, long, long, double) - Static method in class org.RDKit.RDKFuncsJNI
 
BoundsMatrix_SWIGUpcast(long) - Static method in class org.RDKit.RDKFuncsJNI
 
BraunBlanquetSimilarity(ExplicitBitVect, ExplicitBitVect) - Static method in class org.RDKit.RDKFuncs
 
BraunBlanquetSimilarity(long, ExplicitBitVect, long, ExplicitBitVect) - Static method in class org.RDKit.RDKFuncsJNI
 
buildDefaultRDKitFingerprintAtomInvariants(ROMol, UInt_Vect) - Static method in class org.RDKit.RDKFuncs
 
buildDefaultRDKitFingerprintAtomInvariants(long, ROMol, long, UInt_Vect) - Static method in class org.RDKit.RDKFuncsJNI
 
Byte_Vect - Class in org.RDKit
 
Byte_Vect(long, boolean) - Constructor for class org.RDKit.Byte_Vect
 
Byte_Vect() - Constructor for class org.RDKit.Byte_Vect
 
Byte_Vect(long) - Constructor for class org.RDKit.Byte_Vect
 
Byte_Vect_add(long, Byte_Vect, byte) - Static method in class org.RDKit.RDKFuncsJNI
 
Byte_Vect_capacity(long, Byte_Vect) - Static method in class org.RDKit.RDKFuncsJNI
 
Byte_Vect_clear(long, Byte_Vect) - Static method in class org.RDKit.RDKFuncsJNI
 
Byte_Vect_equals(long, Byte_Vect, long, Byte_Vect) - Static method in class org.RDKit.RDKFuncsJNI
 
Byte_Vect_get(long, Byte_Vect, int) - Static method in class org.RDKit.RDKFuncsJNI
 
Byte_Vect_isEmpty(long, Byte_Vect) - Static method in class org.RDKit.RDKFuncsJNI
 
Byte_Vect_reserve(long, Byte_Vect, long) - Static method in class org.RDKit.RDKFuncsJNI
 
Byte_Vect_set(long, Byte_Vect, int, byte) - Static method in class org.RDKit.RDKFuncsJNI
 
Byte_Vect_size(long, Byte_Vect) - Static method in class org.RDKit.RDKFuncsJNI
 

C

CachedMolHolder - Class in org.RDKit
 
CachedMolHolder(long, boolean) - Constructor for class org.RDKit.CachedMolHolder
 
CachedMolHolder() - Constructor for class org.RDKit.CachedMolHolder
 
CachedMolHolder_addBinary(long, CachedMolHolder, String) - Static method in class org.RDKit.RDKFuncsJNI
 
CachedMolHolder_addMol(long, CachedMolHolder, long, ROMol) - Static method in class org.RDKit.RDKFuncsJNI
 
CachedMolHolder_getMol(long, CachedMolHolder, long) - Static method in class org.RDKit.RDKFuncsJNI
 
CachedMolHolder_getMols__SWIG_0(long, CachedMolHolder) - Static method in class org.RDKit.RDKFuncsJNI
 
CachedMolHolder_size(long, CachedMolHolder) - Static method in class org.RDKit.RDKFuncsJNI
 
CachedMolHolder_SWIGSmartPtrUpcast(long) - Static method in class org.RDKit.RDKFuncsJNI
 
CachedSmilesMolHolder - Class in org.RDKit
 
CachedSmilesMolHolder(long, boolean) - Constructor for class org.RDKit.CachedSmilesMolHolder
 
CachedSmilesMolHolder() - Constructor for class org.RDKit.CachedSmilesMolHolder
 
CachedSmilesMolHolder_addMol(long, CachedSmilesMolHolder, long, ROMol) - Static method in class org.RDKit.RDKFuncsJNI
 
CachedSmilesMolHolder_addSmiles(long, CachedSmilesMolHolder, String) - Static method in class org.RDKit.RDKFuncsJNI
 
CachedSmilesMolHolder_getMol(long, CachedSmilesMolHolder, long) - Static method in class org.RDKit.RDKFuncsJNI
 
CachedSmilesMolHolder_getMols__SWIG_0(long, CachedSmilesMolHolder) - Static method in class org.RDKit.RDKFuncsJNI
 
CachedSmilesMolHolder_size(long, CachedSmilesMolHolder) - Static method in class org.RDKit.RDKFuncsJNI
 
CachedSmilesMolHolder_SWIGSmartPtrUpcast(long) - Static method in class org.RDKit.RDKFuncsJNI
 
CachedTrustedSmilesMolHolder - Class in org.RDKit
 
CachedTrustedSmilesMolHolder(long, boolean) - Constructor for class org.RDKit.CachedTrustedSmilesMolHolder
 
CachedTrustedSmilesMolHolder() - Constructor for class org.RDKit.CachedTrustedSmilesMolHolder
 
CachedTrustedSmilesMolHolder_addMol(long, CachedTrustedSmilesMolHolder, long, ROMol) - Static method in class org.RDKit.RDKFuncsJNI
 
CachedTrustedSmilesMolHolder_addSmiles(long, CachedTrustedSmilesMolHolder, String) - Static method in class org.RDKit.RDKFuncsJNI
 
CachedTrustedSmilesMolHolder_getMol(long, CachedTrustedSmilesMolHolder, long) - Static method in class org.RDKit.RDKFuncsJNI
 
CachedTrustedSmilesMolHolder_getMols__SWIG_0(long, CachedTrustedSmilesMolHolder) - Static method in class org.RDKit.RDKFuncsJNI
 
CachedTrustedSmilesMolHolder_size(long, CachedTrustedSmilesMolHolder) - Static method in class org.RDKit.RDKFuncsJNI
 
CachedTrustedSmilesMolHolder_SWIGSmartPtrUpcast(long) - Static method in class org.RDKit.RDKFuncsJNI
 
calcAMW(ROMol, boolean) - Static method in class org.RDKit.RDKFuncs
 
calcAMW(ROMol) - Static method in class org.RDKit.RDKFuncs
 
calcAMW__SWIG_0(long, ROMol, boolean) - Static method in class org.RDKit.RDKFuncsJNI
 
calcAMW__SWIG_1(long, ROMol) - Static method in class org.RDKit.RDKFuncsJNI
 
calcAngleBendGrad(Point3D, SWIGTYPE_p_double, SWIGTYPE_p_p_double, SWIGTYPE_p_double, SWIGTYPE_p_double, SWIGTYPE_p_double) - Static method in class org.RDKit.RDKFuncs
 
calcAngleBendGrad(long, Point3D, long, long, long, long, long) - Static method in class org.RDKit.RDKFuncsJNI
 
calcAngleForceConstant(double, double, double, AtomicParams, AtomicParams, AtomicParams) - Static method in class org.RDKit.RDKFuncs
 
calcAngleForceConstant(double, double, double, long, AtomicParams, long, AtomicParams, long, AtomicParams) - Static method in class org.RDKit.RDKFuncsJNI
 
CalcBitmapAllProbeBitsMatch(SWIGTYPE_p_unsigned_char, SWIGTYPE_p_unsigned_char, long) - Static method in class org.RDKit.RDKFuncs
 
CalcBitmapAllProbeBitsMatch(long, long, long) - Static method in class org.RDKit.RDKFuncsJNI
 
CalcBitmapDice(SWIGTYPE_p_unsigned_char, SWIGTYPE_p_unsigned_char, long) - Static method in class org.RDKit.RDKFuncs
 
CalcBitmapDice(long, long, long) - Static method in class org.RDKit.RDKFuncsJNI
 
CalcBitmapPopcount(SWIGTYPE_p_unsigned_char, long) - Static method in class org.RDKit.RDKFuncs
 
CalcBitmapPopcount(long, long) - Static method in class org.RDKit.RDKFuncsJNI
 
CalcBitmapTanimoto(SWIGTYPE_p_unsigned_char, SWIGTYPE_p_unsigned_char, long) - Static method in class org.RDKit.RDKFuncs
 
CalcBitmapTanimoto(long, long, long) - Static method in class org.RDKit.RDKFuncsJNI
 
CalcBitmapTversky(SWIGTYPE_p_unsigned_char, SWIGTYPE_p_unsigned_char, long, double, double) - Static method in class org.RDKit.RDKFuncs
 
CalcBitmapTversky(long, long, long, double, double) - Static method in class org.RDKit.RDKFuncsJNI
 
calcBondForceConstant(double, AtomicParams, AtomicParams) - Static method in class org.RDKit.RDKFuncs
 
calcBondForceConstant(double, long, AtomicParams, long, AtomicParams) - Static method in class org.RDKit.RDKFuncsJNI
 
calcBondRestLength(double, AtomicParams, AtomicParams) - Static method in class org.RDKit.RDKFuncs
 
calcBondRestLength(double, long, AtomicParams, long, AtomicParams) - Static method in class org.RDKit.RDKFuncsJNI
 
calcChi0n(ROMol, boolean) - Static method in class org.RDKit.RDKFuncs
 
calcChi0n(ROMol) - Static method in class org.RDKit.RDKFuncs
 
calcChi0n__SWIG_0(long, ROMol, boolean) - Static method in class org.RDKit.RDKFuncsJNI
 
calcChi0n__SWIG_1(long, ROMol) - Static method in class org.RDKit.RDKFuncsJNI
 
calcChi0v(ROMol, boolean) - Static method in class org.RDKit.RDKFuncs
 
calcChi0v(ROMol) - Static method in class org.RDKit.RDKFuncs
 
calcChi0v__SWIG_0(long, ROMol, boolean) - Static method in class org.RDKit.RDKFuncsJNI
 
calcChi0v__SWIG_1(long, ROMol) - Static method in class org.RDKit.RDKFuncsJNI
 
calcChi1n(ROMol, boolean) - Static method in class org.RDKit.RDKFuncs
 
calcChi1n(ROMol) - Static method in class org.RDKit.RDKFuncs
 
calcChi1n__SWIG_0(long, ROMol, boolean) - Static method in class org.RDKit.RDKFuncsJNI
 
calcChi1n__SWIG_1(long, ROMol) - Static method in class org.RDKit.RDKFuncsJNI
 
calcChi1v(ROMol, boolean) - Static method in class org.RDKit.RDKFuncs
 
calcChi1v(ROMol) - Static method in class org.RDKit.RDKFuncs
 
calcChi1v__SWIG_0(long, ROMol, boolean) - Static method in class org.RDKit.RDKFuncsJNI
 
calcChi1v__SWIG_1(long, ROMol) - Static method in class org.RDKit.RDKFuncsJNI
 
calcChi2n(ROMol, boolean) - Static method in class org.RDKit.RDKFuncs
 
calcChi2n(ROMol) - Static method in class org.RDKit.RDKFuncs
 
calcChi2n__SWIG_0(long, ROMol, boolean) - Static method in class org.RDKit.RDKFuncsJNI
 
calcChi2n__SWIG_1(long, ROMol) - Static method in class org.RDKit.RDKFuncsJNI
 
calcChi2v(ROMol, boolean) - Static method in class org.RDKit.RDKFuncs
 
calcChi2v(ROMol) - Static method in class org.RDKit.RDKFuncs
 
calcChi2v__SWIG_0(long, ROMol, boolean) - Static method in class org.RDKit.RDKFuncsJNI
 
calcChi2v__SWIG_1(long, ROMol) - Static method in class org.RDKit.RDKFuncsJNI
 
calcChi3n(ROMol, boolean) - Static method in class org.RDKit.RDKFuncs
 
calcChi3n(ROMol) - Static method in class org.RDKit.RDKFuncs
 
calcChi3n__SWIG_0(long, ROMol, boolean) - Static method in class org.RDKit.RDKFuncsJNI
 
calcChi3n__SWIG_1(long, ROMol) - Static method in class org.RDKit.RDKFuncsJNI
 
calcChi3v(ROMol, boolean) - Static method in class org.RDKit.RDKFuncs
 
calcChi3v(ROMol) - Static method in class org.RDKit.RDKFuncs
 
calcChi3v__SWIG_0(long, ROMol, boolean) - Static method in class org.RDKit.RDKFuncsJNI
 
calcChi3v__SWIG_1(long, ROMol) - Static method in class org.RDKit.RDKFuncsJNI
 
calcChi4n(ROMol, boolean) - Static method in class org.RDKit.RDKFuncs
 
calcChi4n(ROMol) - Static method in class org.RDKit.RDKFuncs
 
calcChi4n__SWIG_0(long, ROMol, boolean) - Static method in class org.RDKit.RDKFuncsJNI
 
calcChi4n__SWIG_1(long, ROMol) - Static method in class org.RDKit.RDKFuncsJNI
 
calcChi4v(ROMol, boolean) - Static method in class org.RDKit.RDKFuncs
 
calcChi4v(ROMol) - Static method in class org.RDKit.RDKFuncs
 
calcChi4v__SWIG_0(long, ROMol, boolean) - Static method in class org.RDKit.RDKFuncsJNI
 
calcChi4v__SWIG_1(long, ROMol) - Static method in class org.RDKit.RDKFuncsJNI
 
calcChiNn(ROMol, long, boolean) - Static method in class org.RDKit.RDKFuncs
 
calcChiNn(ROMol, long) - Static method in class org.RDKit.RDKFuncs
 
calcChiNn__SWIG_0(long, ROMol, long, boolean) - Static method in class org.RDKit.RDKFuncsJNI
 
calcChiNn__SWIG_1(long, ROMol, long) - Static method in class org.RDKit.RDKFuncsJNI
 
calcChiNv(ROMol, long, boolean) - Static method in class org.RDKit.RDKFuncs
 
calcChiNv(ROMol, long) - Static method in class org.RDKit.RDKFuncs
 
calcChiNv__SWIG_0(long, ROMol, long, boolean) - Static method in class org.RDKit.RDKFuncsJNI
 
calcChiNv__SWIG_1(long, ROMol, long) - Static method in class org.RDKit.RDKFuncsJNI
 
calcCrippenDescriptors(ROMol, boolean, boolean) - Static method in class org.RDKit.RDKFuncs
 
calcCrippenDescriptors(ROMol, boolean) - Static method in class org.RDKit.RDKFuncs
 
calcCrippenDescriptors(ROMol) - Static method in class org.RDKit.RDKFuncs
 
calcCrippenDescriptors__SWIG_0(long, ROMol, boolean, boolean) - Static method in class org.RDKit.RDKFuncsJNI
 
calcCrippenDescriptors__SWIG_1(long, ROMol, boolean) - Static method in class org.RDKit.RDKFuncsJNI
 
calcCrippenDescriptors__SWIG_2(long, ROMol) - Static method in class org.RDKit.RDKFuncsJNI
 
calcCustomProp_VSA(ROMol, String, Double_Vect, boolean) - Static method in class org.RDKit.RDKFuncs
 
calcCustomProp_VSA(ROMol, String, Double_Vect) - Static method in class org.RDKit.RDKFuncs
 
calcCustomProp_VSA__SWIG_0(long, ROMol, String, long, Double_Vect, boolean) - Static method in class org.RDKit.RDKFuncsJNI
 
calcCustomProp_VSA__SWIG_1(long, ROMol, String, long, Double_Vect) - Static method in class org.RDKit.RDKFuncsJNI
 
calcEnergy(Double_Vect) - Method in class org.RDKit.ForceField
 
calcEnergy() - Method in class org.RDKit.ForceField
 
calcEnergy(SWIGTYPE_p_double) - Method in class org.RDKit.ForceField
 
calcExactMW(ROMol, boolean) - Static method in class org.RDKit.RDKFuncs
 
calcExactMW(ROMol) - Static method in class org.RDKit.RDKFuncs
 
calcExactMW__SWIG_0(long, ROMol, boolean) - Static method in class org.RDKit.RDKFuncsJNI
 
calcExactMW__SWIG_1(long, ROMol) - Static method in class org.RDKit.RDKFuncsJNI
 
calcExplicitValence(boolean) - Method in class org.RDKit.Atom
calculates and returns our explicit valence
calcExplicitValence() - Method in class org.RDKit.Atom
calculates and returns our explicit valence
calcFractionCSP3(ROMol) - Static method in class org.RDKit.RDKFuncs
 
calcFractionCSP3(long, ROMol) - Static method in class org.RDKit.RDKFuncsJNI
 
calcGrad(SWIGTYPE_p_double) - Method in class org.RDKit.ForceField
 
calcGrad(SWIGTYPE_p_double, SWIGTYPE_p_double) - Method in class org.RDKit.ForceField
 
calcHallKierAlpha(ROMol, Double_Vect) - Static method in class org.RDKit.RDKFuncs
 
calcHallKierAlpha(ROMol) - Static method in class org.RDKit.RDKFuncs
 
calcHallKierAlpha__SWIG_0(long, ROMol, long, Double_Vect) - Static method in class org.RDKit.RDKFuncsJNI
 
calcHallKierAlpha__SWIG_1(long, ROMol) - Static method in class org.RDKit.RDKFuncsJNI
 
calcImplicitValence(boolean) - Method in class org.RDKit.Atom
calculates and returns our implicit valence
calcImplicitValence() - Method in class org.RDKit.Atom
calculates and returns our implicit valence
calcInversionCoefficientsAndForceConstant(int, boolean) - Static method in class org.RDKit.RDKFuncs
 
calcInversionCoefficientsAndForceConstant(int, boolean) - Static method in class org.RDKit.RDKFuncsJNI
 
calcKappa1(ROMol) - Static method in class org.RDKit.RDKFuncs
 
calcKappa1(long, ROMol) - Static method in class org.RDKit.RDKFuncsJNI
 
calcKappa2(ROMol) - Static method in class org.RDKit.RDKFuncs
 
calcKappa2(long, ROMol) - Static method in class org.RDKit.RDKFuncsJNI
 
calcKappa3(ROMol) - Static method in class org.RDKit.RDKFuncs
 
calcKappa3(long, ROMol) - Static method in class org.RDKit.RDKFuncsJNI
 
calcLabuteASA(ROMol, boolean, boolean) - Static method in class org.RDKit.RDKFuncs
 
calcLabuteASA(ROMol, boolean) - Static method in class org.RDKit.RDKFuncs
 
calcLabuteASA(ROMol) - Static method in class org.RDKit.RDKFuncs
 
calcLabuteASA__SWIG_0(long, ROMol, boolean, boolean) - Static method in class org.RDKit.RDKFuncsJNI
 
calcLabuteASA__SWIG_1(long, ROMol, boolean) - Static method in class org.RDKit.RDKFuncsJNI
 
calcLabuteASA__SWIG_2(long, ROMol) - Static method in class org.RDKit.RDKFuncsJNI
 
calcLipinskiHBA(ROMol) - Static method in class org.RDKit.RDKFuncs
 
calcLipinskiHBA(long, ROMol) - Static method in class org.RDKit.RDKFuncsJNI
 
calcLipinskiHBD(ROMol) - Static method in class org.RDKit.RDKFuncs
 
calcLipinskiHBD(long, ROMol) - Static method in class org.RDKit.RDKFuncsJNI
 
calcMolFormula(ROMol, boolean, boolean) - Static method in class org.RDKit.RDKFuncs
 
calcMolFormula(ROMol, boolean) - Static method in class org.RDKit.RDKFuncs
 
calcMolFormula(ROMol) - Static method in class org.RDKit.RDKFuncs
 
calcMolFormula__SWIG_0(long, ROMol, boolean, boolean) - Static method in class org.RDKit.RDKFuncsJNI
 
calcMolFormula__SWIG_1(long, ROMol, boolean) - Static method in class org.RDKit.RDKFuncsJNI
 
calcMolFormula__SWIG_2(long, ROMol) - Static method in class org.RDKit.RDKFuncsJNI
 
calcMolLogP(ROMol) - Static method in class org.RDKit.RDKFuncs
 
calcMolLogP(long, ROMol) - Static method in class org.RDKit.RDKFuncsJNI
 
calcMolMR(ROMol) - Static method in class org.RDKit.RDKFuncs
 
calcMolMR(long, ROMol) - Static method in class org.RDKit.RDKFuncsJNI
 
calcMQNs(ROMol, boolean) - Static method in class org.RDKit.RDKFuncs
 
calcMQNs(ROMol) - Static method in class org.RDKit.RDKFuncs
 
calcMQNs__SWIG_0(long, ROMol, boolean) - Static method in class org.RDKit.RDKFuncsJNI
 
calcMQNs__SWIG_1(long, ROMol) - Static method in class org.RDKit.RDKFuncsJNI
 
calcNonbondedDepth(AtomicParams, AtomicParams) - Static method in class org.RDKit.RDKFuncs
 
calcNonbondedDepth(long, AtomicParams, long, AtomicParams) - Static method in class org.RDKit.RDKFuncsJNI
 
calcNonbondedMinimum(AtomicParams, AtomicParams) - Static method in class org.RDKit.RDKFuncs
 
calcNonbondedMinimum(long, AtomicParams, long, AtomicParams) - Static method in class org.RDKit.RDKFuncsJNI
 
calcNumAliphaticCarbocycles(ROMol) - Static method in class org.RDKit.RDKFuncs
 
calcNumAliphaticCarbocycles(long, ROMol) - Static method in class org.RDKit.RDKFuncsJNI
 
calcNumAliphaticHeterocycles(ROMol) - Static method in class org.RDKit.RDKFuncs
 
calcNumAliphaticHeterocycles(long, ROMol) - Static method in class org.RDKit.RDKFuncsJNI
 
calcNumAliphaticRings(ROMol) - Static method in class org.RDKit.RDKFuncs
 
calcNumAliphaticRings(long, ROMol) - Static method in class org.RDKit.RDKFuncsJNI
 
calcNumAmideBonds(ROMol) - Static method in class org.RDKit.RDKFuncs
 
calcNumAmideBonds(long, ROMol) - Static method in class org.RDKit.RDKFuncsJNI
 
calcNumAromaticCarbocycles(ROMol) - Static method in class org.RDKit.RDKFuncs
 
calcNumAromaticCarbocycles(long, ROMol) - Static method in class org.RDKit.RDKFuncsJNI
 
calcNumAromaticHeterocycles(ROMol) - Static method in class org.RDKit.RDKFuncs
 
calcNumAromaticHeterocycles(long, ROMol) - Static method in class org.RDKit.RDKFuncsJNI
 
calcNumAromaticRings(ROMol) - Static method in class org.RDKit.RDKFuncs
 
calcNumAromaticRings(long, ROMol) - Static method in class org.RDKit.RDKFuncsJNI
 
calcNumBridgeheadAtoms(ROMol, UInt_Vect) - Static method in class org.RDKit.RDKFuncs
 
calcNumBridgeheadAtoms(ROMol) - Static method in class org.RDKit.RDKFuncs
 
calcNumBridgeheadAtoms__SWIG_0(long, ROMol, long, UInt_Vect) - Static method in class org.RDKit.RDKFuncsJNI
 
calcNumBridgeheadAtoms__SWIG_1(long, ROMol) - Static method in class org.RDKit.RDKFuncsJNI
 
calcNumHBA(ROMol) - Static method in class org.RDKit.RDKFuncs
 
calcNumHBA(long, ROMol) - Static method in class org.RDKit.RDKFuncsJNI
 
calcNumHBD(ROMol) - Static method in class org.RDKit.RDKFuncs
 
calcNumHBD(long, ROMol) - Static method in class org.RDKit.RDKFuncsJNI
 
calcNumHeteroatoms(ROMol) - Static method in class org.RDKit.RDKFuncs
 
calcNumHeteroatoms(long, ROMol) - Static method in class org.RDKit.RDKFuncsJNI
 
calcNumHeterocycles(ROMol) - Static method in class org.RDKit.RDKFuncs
 
calcNumHeterocycles(long, ROMol) - Static method in class org.RDKit.RDKFuncsJNI
 
calcNumRings(ROMol) - Static method in class org.RDKit.RDKFuncs
 
calcNumRings(long, ROMol) - Static method in class org.RDKit.RDKFuncsJNI
 
calcNumRotatableBonds(ROMol, NumRotatableBondsOptions) - Static method in class org.RDKit.RDKFuncs
 
calcNumRotatableBonds(ROMol) - Static method in class org.RDKit.RDKFuncs
 
calcNumRotatableBonds(ROMol, boolean) - Static method in class org.RDKit.RDKFuncs
 
calcNumRotatableBonds__SWIG_0(long, ROMol, int) - Static method in class org.RDKit.RDKFuncsJNI
 
calcNumRotatableBonds__SWIG_1(long, ROMol) - Static method in class org.RDKit.RDKFuncsJNI
 
calcNumRotatableBonds__SWIG_2(long, ROMol, boolean) - Static method in class org.RDKit.RDKFuncsJNI
 
calcNumSaturatedCarbocycles(ROMol) - Static method in class org.RDKit.RDKFuncs
 
calcNumSaturatedCarbocycles(long, ROMol) - Static method in class org.RDKit.RDKFuncsJNI
 
calcNumSaturatedHeterocycles(ROMol) - Static method in class org.RDKit.RDKFuncs
 
calcNumSaturatedHeterocycles(long, ROMol) - Static method in class org.RDKit.RDKFuncsJNI
 
calcNumSaturatedRings(ROMol) - Static method in class org.RDKit.RDKFuncs
 
calcNumSaturatedRings(long, ROMol) - Static method in class org.RDKit.RDKFuncsJNI
 
calcNumSpiroAtoms(ROMol, UInt_Vect) - Static method in class org.RDKit.RDKFuncs
 
calcNumSpiroAtoms(ROMol) - Static method in class org.RDKit.RDKFuncs
 
calcNumSpiroAtoms__SWIG_0(long, ROMol, long, UInt_Vect) - Static method in class org.RDKit.RDKFuncsJNI
 
calcNumSpiroAtoms__SWIG_1(long, ROMol) - Static method in class org.RDKit.RDKFuncsJNI
 
calcPathDiscriminators(ROMol, Int_Vect) - Static method in class org.RDKit.RDKFuncs
 
calcPathDiscriminators(long, ROMol, long, Int_Vect) - Static method in class org.RDKit.RDKFuncsJNI
 
calcPEOE_VSA(ROMol, Double_Vect, boolean) - Static method in class org.RDKit.RDKFuncs
 
calcPEOE_VSA(ROMol, Double_Vect) - Static method in class org.RDKit.RDKFuncs
 
calcPEOE_VSA(ROMol) - Static method in class org.RDKit.RDKFuncs
 
calcPEOE_VSA__SWIG_0(long, ROMol, long, Double_Vect, boolean) - Static method in class org.RDKit.RDKFuncsJNI
 
calcPEOE_VSA__SWIG_1(long, ROMol, long, Double_Vect) - Static method in class org.RDKit.RDKFuncsJNI
 
calcPEOE_VSA__SWIG_2(long, ROMol) - Static method in class org.RDKit.RDKFuncsJNI
 
calcSlogP_VSA(ROMol, Double_Vect, boolean) - Static method in class org.RDKit.RDKFuncs
 
calcSlogP_VSA(ROMol, Double_Vect) - Static method in class org.RDKit.RDKFuncs
 
calcSlogP_VSA(ROMol) - Static method in class org.RDKit.RDKFuncs
 
calcSlogP_VSA__SWIG_0(long, ROMol, long, Double_Vect, boolean) - Static method in class org.RDKit.RDKFuncsJNI
 
calcSlogP_VSA__SWIG_1(long, ROMol, long, Double_Vect) - Static method in class org.RDKit.RDKFuncsJNI
 
calcSlogP_VSA__SWIG_2(long, ROMol) - Static method in class org.RDKit.RDKFuncsJNI
 
calcSMR_VSA(ROMol, Double_Vect, boolean) - Static method in class org.RDKit.RDKFuncs
 
calcSMR_VSA(ROMol, Double_Vect) - Static method in class org.RDKit.RDKFuncs
 
calcSMR_VSA(ROMol) - Static method in class org.RDKit.RDKFuncs
 
calcSMR_VSA__SWIG_0(long, ROMol, long, Double_Vect, boolean) - Static method in class org.RDKit.RDKFuncsJNI
 
calcSMR_VSA__SWIG_1(long, ROMol, long, Double_Vect) - Static method in class org.RDKit.RDKFuncsJNI
 
calcSMR_VSA__SWIG_2(long, ROMol) - Static method in class org.RDKit.RDKFuncsJNI
 
calcTorsionGrad(Point3D, Point3D, SWIGTYPE_p_double, SWIGTYPE_p_p_double, SWIGTYPE_p_double, SWIGTYPE_p_double) - Static method in class org.RDKit.RDKFuncs
 
calcTorsionGrad(long, Point3D, long, Point3D, long, long, long, long) - Static method in class org.RDKit.RDKFuncsJNI
 
calcTPSA(ROMol, boolean, boolean) - Static method in class org.RDKit.RDKFuncs
 
calcTPSA(ROMol, boolean) - Static method in class org.RDKit.RDKFuncs
 
calcTPSA(ROMol) - Static method in class org.RDKit.RDKFuncs
 
calcTPSA__SWIG_0(long, ROMol, boolean, boolean) - Static method in class org.RDKit.RDKFuncsJNI
 
calcTPSA__SWIG_1(long, ROMol, boolean) - Static method in class org.RDKit.RDKFuncsJNI
 
calcTPSA__SWIG_2(long, ROMol) - Static method in class org.RDKit.RDKFuncsJNI
 
calculateCosTorsion(Point3D, Point3D, Point3D, Point3D) - Static method in class org.RDKit.RDKFuncs
 
calculateCosTorsion(long, Point3D, long, Point3D, long, Point3D, long, Point3D) - Static method in class org.RDKit.RDKFuncsJNI
 
calculateCosY(Point3D, Point3D, Point3D, Point3D) - Static method in class org.RDKit.RDKFuncs
 
calculateCosY(long, Point3D, long, Point3D, long, Point3D, long, Point3D) - Static method in class org.RDKit.RDKFuncsJNI
 
calculateScale(int, int, Int_Vect, Int_Double_Map) - Method in class org.RDKit.MolDraw2D
 
calculateScale(int, int, Int_Vect) - Method in class org.RDKit.MolDraw2D
 
calculateScale(int, int) - Method in class org.RDKit.MolDraw2D
 
calculateScale() - Method in class org.RDKit.MolDraw2D
 
canonicalizeConformer(Point3D, boolean, boolean) - Method in class org.RDKit.Conformer
 
canonicalizeConformer(Point3D, boolean) - Method in class org.RDKit.Conformer
 
canonicalizeConformer(Point3D) - Method in class org.RDKit.Conformer
 
canonicalizeConformer() - Method in class org.RDKit.Conformer
 
canonicalizeConformer(Conformer, Point3D, boolean, boolean) - Static method in class org.RDKit.RDKFuncs
 
canonicalizeConformer(Conformer, Point3D, boolean) - Static method in class org.RDKit.RDKFuncs
 
canonicalizeConformer(Conformer, Point3D) - Static method in class org.RDKit.RDKFuncs
 
canonicalizeConformer(Conformer) - Static method in class org.RDKit.RDKFuncs
 
canonicalizeConformer__SWIG_0(long, Conformer, long, Point3D, boolean, boolean) - Static method in class org.RDKit.RDKFuncsJNI
 
canonicalizeConformer__SWIG_1(long, Conformer, long, Point3D, boolean) - Static method in class org.RDKit.RDKFuncsJNI
 
canonicalizeConformer__SWIG_2(long, Conformer, long, Point3D) - Static method in class org.RDKit.RDKFuncsJNI
 
canonicalizeConformer__SWIG_3(long, Conformer) - Static method in class org.RDKit.RDKFuncsJNI
 
canonicalizeFragment(ROMol, int, SWIGTYPE_p_std__vectorT_RDKit__Canon__AtomColors_t, UInt_Vect, SWIGTYPE_p_std__vectorT_RDKit__Canon__MolStackElem_t, SWIGTYPE_p_boost__dynamic_bitsetT_t, Str_Vect, boolean, boolean) - Static method in class org.RDKit.RDKFuncs
 
canonicalizeFragment(ROMol, int, SWIGTYPE_p_std__vectorT_RDKit__Canon__AtomColors_t, UInt_Vect, SWIGTYPE_p_std__vectorT_RDKit__Canon__MolStackElem_t, SWIGTYPE_p_boost__dynamic_bitsetT_t, Str_Vect, boolean) - Static method in class org.RDKit.RDKFuncs
 
canonicalizeFragment(ROMol, int, SWIGTYPE_p_std__vectorT_RDKit__Canon__AtomColors_t, UInt_Vect, SWIGTYPE_p_std__vectorT_RDKit__Canon__MolStackElem_t, SWIGTYPE_p_boost__dynamic_bitsetT_t, Str_Vect) - Static method in class org.RDKit.RDKFuncs
 
canonicalizeFragment(ROMol, int, SWIGTYPE_p_std__vectorT_RDKit__Canon__AtomColors_t, UInt_Vect, SWIGTYPE_p_std__vectorT_RDKit__Canon__MolStackElem_t, SWIGTYPE_p_boost__dynamic_bitsetT_t) - Static method in class org.RDKit.RDKFuncs
 
canonicalizeFragment(ROMol, int, SWIGTYPE_p_std__vectorT_RDKit__Canon__AtomColors_t, UInt_Vect, SWIGTYPE_p_std__vectorT_RDKit__Canon__MolStackElem_t) - Static method in class org.RDKit.RDKFuncs
 
canonicalizeFragment__SWIG_0(long, ROMol, int, long, long, UInt_Vect, long, long, long, Str_Vect, boolean, boolean) - Static method in class org.RDKit.RDKFuncsJNI
 
canonicalizeFragment__SWIG_1(long, ROMol, int, long, long, UInt_Vect, long, long, long, Str_Vect, boolean) - Static method in class org.RDKit.RDKFuncsJNI
 
canonicalizeFragment__SWIG_2(long, ROMol, int, long, long, UInt_Vect, long, long, long, Str_Vect) - Static method in class org.RDKit.RDKFuncsJNI
 
canonicalizeFragment__SWIG_3(long, ROMol, int, long, long, UInt_Vect, long, long) - Static method in class org.RDKit.RDKFuncsJNI
 
canonicalizeFragment__SWIG_4(long, ROMol, int, long, long, UInt_Vect, long) - Static method in class org.RDKit.RDKFuncsJNI
 
canonicalizeMol(ROMol, boolean, boolean) - Static method in class org.RDKit.RDKFuncs
 
canonicalizeMol(ROMol, boolean) - Static method in class org.RDKit.RDKFuncs
 
canonicalizeMol(ROMol) - Static method in class org.RDKit.RDKFuncs
 
canonicalizeMol(boolean, boolean) - Method in class org.RDKit.ROMol
 
canonicalizeMol(boolean) - Method in class org.RDKit.ROMol
 
canonicalizeMol() - Method in class org.RDKit.ROMol
 
canonicalizeMol__SWIG_0(long, ROMol, boolean, boolean) - Static method in class org.RDKit.RDKFuncsJNI
 
canonicalizeMol__SWIG_1(long, ROMol, boolean) - Static method in class org.RDKit.RDKFuncsJNI
 
canonicalizeMol__SWIG_2(long, ROMol) - Static method in class org.RDKit.RDKFuncsJNI
 
canSerialize() - Method in class org.RDKit.FilterCatalog
 
canSerialize() - Method in class org.RDKit.SubstructLibrary
 
capacity() - Method in class org.RDKit.Atom_Vect
 
capacity() - Method in class org.RDKit.Atomic_Params_Vect
 
capacity() - Method in class org.RDKit.Bond_Vect
 
capacity() - Method in class org.RDKit.Byte_Vect
 
capacity() - Method in class org.RDKit.Double_Vect
 
capacity() - Method in class org.RDKit.EBV_Vect
 
capacity() - Method in class org.RDKit.FF_Contrib_Vect
 
capacity() - Method in class org.RDKit.FilterCatalogEntry_Vect
 
capacity() - Method in class org.RDKit.FilterCatalogEntry_VectVect
 
capacity() - Method in class org.RDKit.FilterCatalogEntryVect
 
capacity() - Method in class org.RDKit.FilterMatch_Vect
 
capacity() - Method in class org.RDKit.Float_Pair_Vect
 
capacity() - Method in class org.RDKit.Int_Vect
 
capacity() - Method in class org.RDKit.Int_Vect_Vect
 
capacity() - Method in class org.RDKit.Long_Pair_Vect
 
capacity() - Method in class org.RDKit.Match_Vect
 
capacity() - Method in class org.RDKit.Match_Vect_Vect
 
capacity() - Method in class org.RDKit.MolSanitizeException_Vect
 
capacity() - Method in class org.RDKit.Point2D_Vect
 
capacity() - Method in class org.RDKit.Point3D_Vect
 
capacity() - Method in class org.RDKit.Point_Vect
 
capacity() - Method in class org.RDKit.ROMol_Vect
 
capacity() - Method in class org.RDKit.ROMol_Vect_Vect
 
capacity() - Method in class org.RDKit.StereoGroup_Vect
 
capacity() - Method in class org.RDKit.Str_Vect
 
capacity() - Method in class org.RDKit.StringMolMap_Vect
 
capacity() - Method in class org.RDKit.UChar_Vect
 
capacity() - Method in class org.RDKit.UInt_Pair_Vect
 
capacity() - Method in class org.RDKit.UInt_Vect
 
capacity() - Method in class org.RDKit.UIntPairVect
 
cast() - Method in class org.RDKit.Double_Array
 
CatalogParams - Class in org.RDKit
 
CatalogParams(long, boolean) - Constructor for class org.RDKit.CatalogParams
 
CatalogParams_getTypeStr(long, CatalogParams) - Static method in class org.RDKit.RDKFuncsJNI
 
CatalogParams_initFromStream(long, CatalogParams, long) - Static method in class org.RDKit.RDKFuncsJNI
 
CatalogParams_initFromString(long, CatalogParams, String) - Static method in class org.RDKit.RDKFuncsJNI
 
CatalogParams_Serialize(long, CatalogParams) - Static method in class org.RDKit.RDKFuncsJNI
 
CatalogParams_setTypeStr(long, CatalogParams, String) - Static method in class org.RDKit.RDKFuncsJNI
 
CatalogParams_toStream(long, CatalogParams, long) - Static method in class org.RDKit.RDKFuncsJNI
 
chargeParent(RWMol, CleanupParameters, boolean) - Static method in class org.RDKit.RDKFuncs
 
chargeParent(RWMol, CleanupParameters) - Static method in class org.RDKit.RDKFuncs
 
chargeParent(RWMol) - Static method in class org.RDKit.RDKFuncs
 
chargeParent__SWIG_0(long, RWMol, long, CleanupParameters, boolean) - Static method in class org.RDKit.RDKFuncsJNI
 
chargeParent__SWIG_1(long, RWMol, long, CleanupParameters) - Static method in class org.RDKit.RDKFuncsJNI
 
chargeParent__SWIG_2(long, RWMol) - Static method in class org.RDKit.RDKFuncsJNI
 
charptr_functor - Class in org.RDKit
 
charptr_functor(long, boolean) - Constructor for class org.RDKit.charptr_functor
 
charptr_functor() - Constructor for class org.RDKit.charptr_functor
 
checkMol(SWIGTYPE_p_int, ROMol) - Static method in class org.RDKit.RDKFuncs
 
checkMol(SWIGTYPE_p_int, String, boolean) - Static method in class org.RDKit.RDKFuncs
 
checkMol__SWIG_0(long, long, ROMol) - Static method in class org.RDKit.RDKFuncsJNI
 
checkMol__SWIG_1(long, String, boolean) - Static method in class org.RDKit.RDKFuncsJNI
 
checkMolString(String, boolean) - Static method in class org.RDKit.RDKFuncs
 
checkMolString(String, boolean) - Static method in class org.RDKit.RDKFuncsJNI
 
checkValid() - Method in class org.RDKit.BoundsMatrix
 
ChemicalReaction - Class in org.RDKit
This is a class for storing and applying general chemical reactions.
ChemicalReaction(long, boolean) - Constructor for class org.RDKit.ChemicalReaction
 
ChemicalReaction() - Constructor for class org.RDKit.ChemicalReaction
 
ChemicalReaction(ChemicalReaction) - Constructor for class org.RDKit.ChemicalReaction
 
ChemicalReaction(String) - Constructor for class org.RDKit.ChemicalReaction
 
ChemicalReaction_addAgentTemplate(long, ChemicalReaction, long, ROMol) - Static method in class org.RDKit.RDKFuncsJNI
 
ChemicalReaction_addProductTemplate(long, ChemicalReaction, long, ROMol) - Static method in class org.RDKit.RDKFuncsJNI
 
ChemicalReaction_addReactantTemplate(long, ChemicalReaction, long, ROMol) - Static method in class org.RDKit.RDKFuncsJNI
 
ChemicalReaction_beginAgentTemplates__SWIG_0(long, ChemicalReaction) - Static method in class org.RDKit.RDKFuncsJNI
 
ChemicalReaction_beginProductTemplates__SWIG_0(long, ChemicalReaction) - Static method in class org.RDKit.RDKFuncsJNI
 
ChemicalReaction_beginReactantTemplates__SWIG_0(long, ChemicalReaction) - Static method in class org.RDKit.RDKFuncsJNI
 
ChemicalReaction_compute2DCoordsForReaction(long, ChemicalReaction, double, boolean, boolean, long, long, int, boolean) - Static method in class org.RDKit.RDKFuncsJNI
 
ChemicalReaction_endAgentTemplates__SWIG_0(long, ChemicalReaction) - Static method in class org.RDKit.RDKFuncsJNI
 
ChemicalReaction_endProductTemplates__SWIG_0(long, ChemicalReaction) - Static method in class org.RDKit.RDKFuncsJNI
 
ChemicalReaction_endReactantTemplates__SWIG_0(long, ChemicalReaction) - Static method in class org.RDKit.RDKFuncsJNI
 
ChemicalReaction_getAgents(long, ChemicalReaction) - Static method in class org.RDKit.RDKFuncsJNI
 
ChemicalReaction_getImplicitPropertiesFlag(long, ChemicalReaction) - Static method in class org.RDKit.RDKFuncsJNI
 
ChemicalReaction_getNumAgentTemplates(long, ChemicalReaction) - Static method in class org.RDKit.RDKFuncsJNI
 
ChemicalReaction_getNumProductTemplates(long, ChemicalReaction) - Static method in class org.RDKit.RDKFuncsJNI
 
ChemicalReaction_getNumReactantTemplates(long, ChemicalReaction) - Static method in class org.RDKit.RDKFuncsJNI
 
ChemicalReaction_getProducts(long, ChemicalReaction) - Static method in class org.RDKit.RDKFuncsJNI
 
ChemicalReaction_getReactants(long, ChemicalReaction) - Static method in class org.RDKit.RDKFuncsJNI
 
ChemicalReaction_initReactantMatchers(long, ChemicalReaction) - Static method in class org.RDKit.RDKFuncsJNI
 
ChemicalReaction_isInitialized(long, ChemicalReaction) - Static method in class org.RDKit.RDKFuncsJNI
 
ChemicalReaction_ReactionFromRxnBlock(String) - Static method in class org.RDKit.RDKFuncsJNI
 
ChemicalReaction_ReactionFromRxnFile(String) - Static method in class org.RDKit.RDKFuncsJNI
 
ChemicalReaction_ReactionFromSmarts__SWIG_0(String, boolean) - Static method in class org.RDKit.RDKFuncsJNI
 
ChemicalReaction_ReactionFromSmarts__SWIG_1(String) - Static method in class org.RDKit.RDKFuncsJNI
 
ChemicalReaction_ReactionToRxnBlock(long, ChemicalReaction) - Static method in class org.RDKit.RDKFuncsJNI
 
ChemicalReaction_ReactionToSmarts(long, ChemicalReaction) - Static method in class org.RDKit.RDKFuncsJNI
 
ChemicalReaction_ReduceProductToSideChains__SWIG_0(long, ROMol, boolean) - Static method in class org.RDKit.RDKFuncsJNI
 
ChemicalReaction_ReduceProductToSideChains__SWIG_1(long, ROMol) - Static method in class org.RDKit.RDKFuncsJNI
 
ChemicalReaction_removeAgentTemplates__SWIG_0(long, ChemicalReaction, long, ROMol_Vect) - Static method in class org.RDKit.RDKFuncsJNI
 
ChemicalReaction_removeAgentTemplates__SWIG_1(long, ChemicalReaction) - Static method in class org.RDKit.RDKFuncsJNI
 
ChemicalReaction_removeUnmappedProductTemplates__SWIG_0(long, ChemicalReaction, double, boolean, long, ROMol_Vect) - Static method in class org.RDKit.RDKFuncsJNI
 
ChemicalReaction_removeUnmappedProductTemplates__SWIG_1(long, ChemicalReaction, double, boolean) - Static method in class org.RDKit.RDKFuncsJNI
 
ChemicalReaction_removeUnmappedProductTemplates__SWIG_2(long, ChemicalReaction, double) - Static method in class org.RDKit.RDKFuncsJNI
 
ChemicalReaction_removeUnmappedProductTemplates__SWIG_3(long, ChemicalReaction) - Static method in class org.RDKit.RDKFuncsJNI
 
ChemicalReaction_removeUnmappedReactantTemplates__SWIG_0(long, ChemicalReaction, double, boolean, long, ROMol_Vect) - Static method in class org.RDKit.RDKFuncsJNI
 
ChemicalReaction_removeUnmappedReactantTemplates__SWIG_1(long, ChemicalReaction, double, boolean) - Static method in class org.RDKit.RDKFuncsJNI
 
ChemicalReaction_removeUnmappedReactantTemplates__SWIG_2(long, ChemicalReaction, double) - Static method in class org.RDKit.RDKFuncsJNI
 
ChemicalReaction_removeUnmappedReactantTemplates__SWIG_3(long, ChemicalReaction) - Static method in class org.RDKit.RDKFuncsJNI
 
ChemicalReaction_runReactant(long, ChemicalReaction, long, ROMol, long) - Static method in class org.RDKit.RDKFuncsJNI
 
ChemicalReaction_runReactants__SWIG_0(long, ChemicalReaction, long, ROMol_Vect, long) - Static method in class org.RDKit.RDKFuncsJNI
 
ChemicalReaction_runReactants__SWIG_1(long, ChemicalReaction, long, ROMol_Vect) - Static method in class org.RDKit.RDKFuncsJNI
 
ChemicalReaction_RxnFromBinary(long, Int_Vect) - Static method in class org.RDKit.RDKFuncsJNI
 
ChemicalReaction_setImplicitPropertiesFlag(long, ChemicalReaction, boolean) - Static method in class org.RDKit.RDKFuncsJNI
 
ChemicalReaction_SWIGSmartPtrUpcast(long) - Static method in class org.RDKit.RDKFuncsJNI
 
ChemicalReaction_ToBinary(long, ChemicalReaction) - Static method in class org.RDKit.RDKFuncsJNI
 
ChemicalReaction_validate__SWIG_0(long, ChemicalReaction, long, long, boolean) - Static method in class org.RDKit.RDKFuncsJNI
 
ChemicalReaction_validate__SWIG_1(long, ChemicalReaction, long, long) - Static method in class org.RDKit.RDKFuncsJNI
 
ChemicalReaction_validate__SWIG_2(long, ChemicalReaction) - Static method in class org.RDKit.RDKFuncsJNI
 
ChemicalReaction_validateReaction__SWIG_0(long, ChemicalReaction, boolean) - Static method in class org.RDKit.RDKFuncsJNI
 
ChemicalReaction_validateReaction__SWIG_1(long, ChemicalReaction) - Static method in class org.RDKit.RDKFuncsJNI
 
ChemicalReactionException - Exception in org.RDKit
 
ChemicalReactionException(long, boolean) - Constructor for exception org.RDKit.ChemicalReactionException
 
ChemicalReactionException(String) - Constructor for exception org.RDKit.ChemicalReactionException
 
ChemicalReactionException_message(long, ChemicalReactionException) - Static method in class org.RDKit.RDKFuncsJNI
 
ChemicalReactionParserException - Exception in org.RDKit
 
ChemicalReactionParserException(long, boolean) - Constructor for exception org.RDKit.ChemicalReactionParserException
 
ChemicalReactionParserException(String) - Constructor for exception org.RDKit.ChemicalReactionParserException
 
ChemicalReactionParserException_message(long, ChemicalReactionParserException) - Static method in class org.RDKit.RDKFuncsJNI
 
ChemicalReactionToRxnBlock(ChemicalReaction, boolean) - Static method in class org.RDKit.RDKFuncs
 
ChemicalReactionToRxnBlock(ChemicalReaction) - Static method in class org.RDKit.RDKFuncs
 
ChemicalReactionToRxnBlock__SWIG_0(long, ChemicalReaction, boolean) - Static method in class org.RDKit.RDKFuncsJNI
 
ChemicalReactionToRxnBlock__SWIG_1(long, ChemicalReaction) - Static method in class org.RDKit.RDKFuncsJNI
 
ChemicalReactionToRxnMol(ChemicalReaction) - Static method in class org.RDKit.RDKFuncs
 
ChemicalReactionToRxnMol(long, ChemicalReaction) - Static method in class org.RDKit.RDKFuncsJNI
 
ChemicalReactionToRxnSmarts(ChemicalReaction) - Static method in class org.RDKit.RDKFuncs
 
ChemicalReactionToRxnSmarts(long, ChemicalReaction) - Static method in class org.RDKit.RDKFuncsJNI
 
ChemicalReactionToRxnSmiles(ChemicalReaction, boolean) - Static method in class org.RDKit.RDKFuncs
 
ChemicalReactionToRxnSmiles(ChemicalReaction) - Static method in class org.RDKit.RDKFuncs
 
ChemicalReactionToRxnSmiles__SWIG_0(long, ChemicalReaction, boolean) - Static method in class org.RDKit.RDKFuncsJNI
 
ChemicalReactionToRxnSmiles__SWIG_1(long, ChemicalReaction) - Static method in class org.RDKit.RDKFuncsJNI
 
chi0nVersion_get() - Static method in class org.RDKit.RDKFuncsJNI
 
chi0vVersion_get() - Static method in class org.RDKit.RDKFuncsJNI
 
chi1nVersion_get() - Static method in class org.RDKit.RDKFuncsJNI
 
chi1vVersion_get() - Static method in class org.RDKit.RDKFuncsJNI
 
chi2nVersion_get() - Static method in class org.RDKit.RDKFuncsJNI
 
chi2vVersion_get() - Static method in class org.RDKit.RDKFuncsJNI
 
chi3nVersion_get() - Static method in class org.RDKit.RDKFuncsJNI
 
chi3vVersion_get() - Static method in class org.RDKit.RDKFuncsJNI
 
chi4nVersion_get() - Static method in class org.RDKit.RDKFuncsJNI
 
chi4vVersion_get() - Static method in class org.RDKit.RDKFuncsJNI
 
chiNnVersion_get() - Static method in class org.RDKit.RDKFuncsJNI
 
chiNvVersion_get() - Static method in class org.RDKit.RDKFuncsJNI
 
chiralAtomNeedsTagInversion(ROMol, Atom, boolean, long) - Static method in class org.RDKit.RDKFuncs
 
chiralAtomNeedsTagInversion(long, ROMol, long, Atom, boolean, long) - Static method in class org.RDKit.RDKFuncsJNI
 
ChiralSet - Class in org.RDKit
 
ChiralSet(long, boolean) - Constructor for class org.RDKit.ChiralSet
 
ChiralSet(long, long, long, long, long, double, double) - Constructor for class org.RDKit.ChiralSet
 
ChiralSet_d_idx0_get(long, ChiralSet) - Static method in class org.RDKit.RDKFuncsJNI
 
ChiralSet_d_idx0_set(long, ChiralSet, long) - Static method in class org.RDKit.RDKFuncsJNI
 
ChiralSet_d_idx1_get(long, ChiralSet) - Static method in class org.RDKit.RDKFuncsJNI
 
ChiralSet_d_idx1_set(long, ChiralSet, long) - Static method in class org.RDKit.RDKFuncsJNI
 
ChiralSet_d_idx2_get(long, ChiralSet) - Static method in class org.RDKit.RDKFuncsJNI
 
ChiralSet_d_idx2_set(long, ChiralSet, long) - Static method in class org.RDKit.RDKFuncsJNI
 
ChiralSet_d_idx3_get(long, ChiralSet) - Static method in class org.RDKit.RDKFuncsJNI
 
ChiralSet_d_idx3_set(long, ChiralSet, long) - Static method in class org.RDKit.RDKFuncsJNI
 
ChiralSet_d_idx4_get(long, ChiralSet) - Static method in class org.RDKit.RDKFuncsJNI
 
ChiralSet_d_idx4_set(long, ChiralSet, long) - Static method in class org.RDKit.RDKFuncsJNI
 
ChiralSet_d_volumeLowerBound_get(long, ChiralSet) - Static method in class org.RDKit.RDKFuncsJNI
 
ChiralSet_d_volumeLowerBound_set(long, ChiralSet, double) - Static method in class org.RDKit.RDKFuncsJNI
 
ChiralSet_d_volumeUpperBound_get(long, ChiralSet) - Static method in class org.RDKit.RDKFuncsJNI
 
ChiralSet_d_volumeUpperBound_set(long, ChiralSet, double) - Static method in class org.RDKit.RDKFuncsJNI
 
ChiralSet_getLowerVolumeBound(long, ChiralSet) - Static method in class org.RDKit.RDKFuncsJNI
 
ChiralSet_getUpperVolumeBound(long, ChiralSet) - Static method in class org.RDKit.RDKFuncsJNI
 
ci_ATOM_HOLDER_get() - Static method in class org.RDKit.RDKFuncsJNI
 
ci_BITVECT_VERSION_get() - Static method in class org.RDKit.RDKFuncsJNI
 
ci_LEADING_BOND_get() - Static method in class org.RDKit.RDKFuncsJNI
 
ci_LOCAL_INF_get() - Static method in class org.RDKit.RDKFuncsJNI
 
ci_RIGHTMOST_ATOM_get() - Static method in class org.RDKit.RDKFuncsJNI
 
ci_SPARSEINTVECT_VERSION_get() - Static method in class org.RDKit.RDKFuncsJNI
 
cleanUp(RWMol) - Static method in class org.RDKit.RDKFuncs
Designed to be called by the sanitizer to handle special cases before anything is done.
cleanup(RWMol, CleanupParameters) - Static method in class org.RDKit.RDKFuncs
 
cleanup(RWMol) - Static method in class org.RDKit.RDKFuncs
 
cleanUp(long, RWMol) - Static method in class org.RDKit.RDKFuncsJNI
 
cleanup__SWIG_0(long, RWMol, long, CleanupParameters) - Static method in class org.RDKit.RDKFuncsJNI
 
cleanup__SWIG_1(long, RWMol) - Static method in class org.RDKit.RDKFuncsJNI
 
cleanupChirality(RWMol) - Static method in class org.RDKit.RDKFuncs
 
cleanupChirality(long, RWMol) - Static method in class org.RDKit.RDKFuncsJNI
 
CleanupParameters - Class in org.RDKit
 
CleanupParameters(long, boolean) - Constructor for class org.RDKit.CleanupParameters
 
CleanupParameters() - Constructor for class org.RDKit.CleanupParameters
 
CleanupParameters_acidbaseFile_get(long, CleanupParameters) - Static method in class org.RDKit.RDKFuncsJNI
 
CleanupParameters_acidbaseFile_set(long, CleanupParameters, String) - Static method in class org.RDKit.RDKFuncsJNI
 
CleanupParameters_doCanonical_get(long, CleanupParameters) - Static method in class org.RDKit.RDKFuncsJNI
 
CleanupParameters_doCanonical_set(long, CleanupParameters, boolean) - Static method in class org.RDKit.RDKFuncsJNI
 
CleanupParameters_fragmentFile_get(long, CleanupParameters) - Static method in class org.RDKit.RDKFuncsJNI
 
CleanupParameters_fragmentFile_set(long, CleanupParameters, String) - Static method in class org.RDKit.RDKFuncsJNI
 
CleanupParameters_maxRestarts_get(long, CleanupParameters) - Static method in class org.RDKit.RDKFuncsJNI
 
CleanupParameters_maxRestarts_set(long, CleanupParameters, int) - Static method in class org.RDKit.RDKFuncsJNI
 
CleanupParameters_maxTautomers_get(long, CleanupParameters) - Static method in class org.RDKit.RDKFuncsJNI
 
CleanupParameters_maxTautomers_set(long, CleanupParameters, int) - Static method in class org.RDKit.RDKFuncsJNI
 
CleanupParameters_normalizations_get(long, CleanupParameters) - Static method in class org.RDKit.RDKFuncsJNI
 
CleanupParameters_normalizations_set(long, CleanupParameters, String) - Static method in class org.RDKit.RDKFuncsJNI
 
CleanupParameters_preferOrganic_get(long, CleanupParameters) - Static method in class org.RDKit.RDKFuncsJNI
 
CleanupParameters_preferOrganic_set(long, CleanupParameters, boolean) - Static method in class org.RDKit.RDKFuncsJNI
 
CleanupParameters_rdbase_get(long, CleanupParameters) - Static method in class org.RDKit.RDKFuncsJNI
 
CleanupParameters_rdbase_set(long, CleanupParameters, String) - Static method in class org.RDKit.RDKFuncsJNI
 
CleanupParameters_tautomerTransforms_get(long, CleanupParameters) - Static method in class org.RDKit.RDKFuncsJNI
 
CleanupParameters_tautomerTransforms_set(long, CleanupParameters, String) - Static method in class org.RDKit.RDKFuncsJNI
 
clear() - Method in class org.RDKit.Atom_Vect
 
clear() - Method in class org.RDKit.Atomic_Params_Vect
 
clear() - Method in class org.RDKit.BitInfoMap
 
clear() - Method in class org.RDKit.Bond_Vect
 
clear() - Method in class org.RDKit.Byte_Vect
 
clear() - Method in class org.RDKit.ColourPalette
 
clear() - Method in class org.RDKit.Double_Vect
 
clear() - Method in class org.RDKit.EBV_Vect
 
clear() - Method in class org.RDKit.FF_Contrib_Vect
 
clear() - Method in class org.RDKit.FilterCatalogEntry_Vect
 
clear() - Method in class org.RDKit.FilterCatalogEntry_VectVect
 
clear() - Method in class org.RDKit.FilterCatalogEntryVect
 
clear() - Method in class org.RDKit.FilterMatch_Vect
 
clear() - Method in class org.RDKit.Float_Pair_Vect
 
clear() - Method in class org.RDKit.Int_Double_Map
 
clear() - Method in class org.RDKit.Int_Int_Map
 
clear() - Method in class org.RDKit.Int_Int_Vect_List_Map
 
clear() - Method in class org.RDKit.Int_Int_Vect_Map
 
clear() - Method in class org.RDKit.Int_List
 
clear() - Method in class org.RDKit.Int_Point2D_Map
 
clear() - Method in class org.RDKit.Int_Point3D_Map
 
clear() - Method in class org.RDKit.Int_String_Map
 
clear() - Method in class org.RDKit.Int_Vect
 
clear() - Method in class org.RDKit.Int_Vect_List
 
clear() - Method in class org.RDKit.Int_Vect_Vect
 
clear() - Method in class org.RDKit.Long_Pair_Vect
 
clear() - Method in class org.RDKit.Match_Vect
 
clear() - Method in class org.RDKit.Match_Vect_Vect
 
clear() - Method in class org.RDKit.MolSanitizeException_Vect
 
clear() - Method in class org.RDKit.Point2D_Vect
 
clear() - Method in class org.RDKit.Point3D_Vect
 
clear() - Method in class org.RDKit.Point_Vect
 
clear() - Method in class org.RDKit.RDProps
 
clear() - Method in class org.RDKit.ROMol_Vect
 
clear() - Method in class org.RDKit.ROMol_Vect_Vect
 
clear() - Method in class org.RDKit.RWMol
 
clear() - Method in class org.RDKit.StereoGroup_Vect
 
clear() - Method in class org.RDKit.Str_Vect
 
clear() - Method in class org.RDKit.String_String_Map
 
clear() - Method in class org.RDKit.StringMolMap
 
clear() - Method in class org.RDKit.StringMolMap_Vect
 
clear() - Method in class org.RDKit.StringROMol_VectMap
 
clear() - Method in class org.RDKit.Trajectory
 
clear() - Method in class org.RDKit.UChar_Vect
 
clear() - Method in class org.RDKit.UInt_List
 
clear() - Method in class org.RDKit.UInt_Pair_Vect
 
clear() - Method in class org.RDKit.UInt_Vect
 
clear() - Method in class org.RDKit.UIntMolMap
 
clear() - Method in class org.RDKit.UIntPairVect
 
clearAllAtomBookmarks() - Method in class org.RDKit.ROMol
 
clearAllBondBookmarks() - Method in class org.RDKit.ROMol
 
clearAtomBookmark(int) - Method in class org.RDKit.ROMol
 
clearAtomBookmark(int, Atom) - Method in class org.RDKit.ROMol
 
clearBits() - Method in class org.RDKit.BitVect
 
clearBits() - Method in class org.RDKit.ExplicitBitVect
 
clearBondBookmark(int) - Method in class org.RDKit.ROMol
 
clearBondBookmark(int, Bond) - Method in class org.RDKit.ROMol
 
clearComputedProps() - Method in class org.RDKit.RDProps
 
clearComputedProps(boolean) - Method in class org.RDKit.ROMol
 
clearComputedProps() - Method in class org.RDKit.ROMol
 
clearConformers() - Method in class org.RDKit.ROMol
 
clearDrawing() - Method in class org.RDKit.MolDraw2D
 
clearDrawing() - Method in class org.RDKit.MolDraw2DSVG
 
clearProp(String) - Method in class org.RDKit.FilterCatalogEntry
 
clearProp(String) - Method in class org.RDKit.RDProps
 
ClearSingleBondDirFlags() - Method in class org.RDKit.ROMol
 
clearVal(String) - Method in class org.RDKit.Dict
 
clipToOne(SWIGTYPE_p_double) - Static method in class org.RDKit.RDKFuncs
 
clipToOne(long) - Static method in class org.RDKit.RDKFuncsJNI
 
Clone() - Method in class org.RDKit.FilterMatcherBase
 
close() - Method in class org.RDKit.MolWriter
 
close() - Method in class org.RDKit.PDBWriter
 
close() - Method in class org.RDKit.SDWriter
 
close() - Method in class org.RDKit.SmilesWriter
 
close() - Method in class org.RDKit.TDTWriter
 
closeCheckMolFiles() - Static method in class org.RDKit.RDKFuncs
 
closeCheckMolFiles() - Static method in class org.RDKit.RDKFuncsJNI
 
codeSize_get() - Static method in class org.RDKit.RDKFuncsJNI
 
collectBondsAndAngles(ROMol, Match_Vect, Int_Vect_Vect) - Static method in class org.RDKit.RDKFuncs
 
collectBondsAndAngles(long, ROMol, long, Match_Vect, long, Int_Vect_Vect) - Static method in class org.RDKit.RDKFuncsJNI
 
colour() - Method in class org.RDKit.MolDraw2D
 
ColourPalette - Class in org.RDKit
 
ColourPalette(long, boolean) - Constructor for class org.RDKit.ColourPalette
 
ColourPalette() - Constructor for class org.RDKit.ColourPalette
 
ColourPalette(ColourPalette) - Constructor for class org.RDKit.ColourPalette
 
ColourPalette_clear(long, ColourPalette) - Static method in class org.RDKit.RDKFuncsJNI
 
ColourPalette_del(long, ColourPalette, int) - Static method in class org.RDKit.RDKFuncsJNI
 
ColourPalette_empty(long, ColourPalette) - Static method in class org.RDKit.RDKFuncsJNI
 
ColourPalette_get(long, ColourPalette, int) - Static method in class org.RDKit.RDKFuncsJNI
 
ColourPalette_has_key(long, ColourPalette, int) - Static method in class org.RDKit.RDKFuncsJNI
 
ColourPalette_set(long, ColourPalette, int, long, DrawColour) - Static method in class org.RDKit.RDKFuncsJNI
 
ColourPalette_size(long, ColourPalette) - Static method in class org.RDKit.RDKFuncsJNI
 
combineMols(ROMol, ROMol, Point3D) - Static method in class org.RDKit.RDKFuncs
 
combineMols(ROMol, ROMol) - Static method in class org.RDKit.RDKFuncs
 
combineMols__SWIG_0(long, ROMol, long, ROMol, long, Point3D) - Static method in class org.RDKit.RDKFuncsJNI
 
combineMols__SWIG_1(long, ROMol, long, ROMol) - Static method in class org.RDKit.RDKFuncsJNI
 
CompositeQueryType - Enum in org.RDKit
 
compute2DCoords(Int_Point2D_Map, boolean, boolean, long, long, int, boolean, boolean) - Method in class org.RDKit.ROMol
 
compute2DCoords(Int_Point2D_Map, boolean, boolean, long, long, int, boolean) - Method in class org.RDKit.ROMol
 
compute2DCoords(Int_Point2D_Map, boolean, boolean, long, long, int) - Method in class org.RDKit.ROMol
 
compute2DCoords(Int_Point2D_Map, boolean, boolean, long, long) - Method in class org.RDKit.ROMol
 
compute2DCoords(Int_Point2D_Map, boolean, boolean, long) - Method in class org.RDKit.ROMol
 
compute2DCoords(Int_Point2D_Map, boolean, boolean) - Method in class org.RDKit.ROMol
 
compute2DCoords(Int_Point2D_Map, boolean) - Method in class org.RDKit.ROMol
 
compute2DCoords(Int_Point2D_Map) - Method in class org.RDKit.ROMol
 
compute2DCoords() - Method in class org.RDKit.ROMol
 
compute2DCoords(ROMol) - Method in class org.RDKit.ROMol
 
compute2DCoordsForReaction(double, boolean, boolean, long, long, int, boolean) - Method in class org.RDKit.ChemicalReaction
 
compute2DCoordsForReaction(ChemicalReaction, double, boolean, boolean, long, long, int, boolean) - Static method in class org.RDKit.RDKFuncs
 
compute2DCoordsForReaction(ChemicalReaction, double, boolean, boolean, long, long, int) - Static method in class org.RDKit.RDKFuncs
 
compute2DCoordsForReaction(ChemicalReaction, double, boolean, boolean, long, long) - Static method in class org.RDKit.RDKFuncs
 
compute2DCoordsForReaction(ChemicalReaction, double, boolean, boolean, long) - Static method in class org.RDKit.RDKFuncs
 
compute2DCoordsForReaction(ChemicalReaction, double, boolean, boolean) - Static method in class org.RDKit.RDKFuncs
 
compute2DCoordsForReaction(ChemicalReaction, double, boolean) - Static method in class org.RDKit.RDKFuncs
 
compute2DCoordsForReaction(ChemicalReaction, double) - Static method in class org.RDKit.RDKFuncs
 
compute2DCoordsForReaction(ChemicalReaction) - Static method in class org.RDKit.RDKFuncs
 
compute2DCoordsForReaction__SWIG_0(long, ChemicalReaction, double, boolean, boolean, long, long, int, boolean) - Static method in class org.RDKit.RDKFuncsJNI
 
compute2DCoordsForReaction__SWIG_1(long, ChemicalReaction, double, boolean, boolean, long, long, int) - Static method in class org.RDKit.RDKFuncsJNI
 
compute2DCoordsForReaction__SWIG_2(long, ChemicalReaction, double, boolean, boolean, long, long) - Static method in class org.RDKit.RDKFuncsJNI
 
compute2DCoordsForReaction__SWIG_3(long, ChemicalReaction, double, boolean, boolean, long) - Static method in class org.RDKit.RDKFuncsJNI
 
compute2DCoordsForReaction__SWIG_4(long, ChemicalReaction, double, boolean, boolean) - Static method in class org.RDKit.RDKFuncsJNI
 
compute2DCoordsForReaction__SWIG_5(long, ChemicalReaction, double, boolean) - Static method in class org.RDKit.RDKFuncsJNI
 
compute2DCoordsForReaction__SWIG_6(long, ChemicalReaction, double) - Static method in class org.RDKit.RDKFuncsJNI
 
compute2DCoordsForReaction__SWIG_7(long, ChemicalReaction) - Static method in class org.RDKit.RDKFuncsJNI
 
compute2DCoordsMimicDistMat(SWIGTYPE_p_RDDepict__DOUBLE_SMART_PTR, boolean, boolean, double, long, long, int, boolean, boolean) - Method in class org.RDKit.ROMol
 
compute2DCoordsMimicDistMat(SWIGTYPE_p_RDDepict__DOUBLE_SMART_PTR, boolean, boolean, double, long, long, int, boolean) - Method in class org.RDKit.ROMol
 
compute2DCoordsMimicDistMat(SWIGTYPE_p_RDDepict__DOUBLE_SMART_PTR, boolean, boolean, double, long, long, int) - Method in class org.RDKit.ROMol
 
compute2DCoordsMimicDistMat(SWIGTYPE_p_RDDepict__DOUBLE_SMART_PTR, boolean, boolean, double, long, long) - Method in class org.RDKit.ROMol
 
compute2DCoordsMimicDistMat(SWIGTYPE_p_RDDepict__DOUBLE_SMART_PTR, boolean, boolean, double, long) - Method in class org.RDKit.ROMol
 
compute2DCoordsMimicDistMat(SWIGTYPE_p_RDDepict__DOUBLE_SMART_PTR, boolean, boolean, double) - Method in class org.RDKit.ROMol
 
compute2DCoordsMimicDistMat(SWIGTYPE_p_RDDepict__DOUBLE_SMART_PTR, boolean, boolean) - Method in class org.RDKit.ROMol
 
compute2DCoordsMimicDistMat(SWIGTYPE_p_RDDepict__DOUBLE_SMART_PTR, boolean) - Method in class org.RDKit.ROMol
 
compute2DCoordsMimicDistMat(SWIGTYPE_p_RDDepict__DOUBLE_SMART_PTR) - Method in class org.RDKit.ROMol
 
compute2DCoordsMimicDistMat() - Method in class org.RDKit.ROMol
 
computeBalabanJ(ROMol, boolean, boolean, Int_Vect, boolean) - Static method in class org.RDKit.RDKFuncs
calculates Balaban's J index for the molecule
computeBalabanJ(ROMol, boolean, boolean, Int_Vect) - Static method in class org.RDKit.RDKFuncs
calculates Balaban's J index for the molecule
computeBalabanJ(ROMol, boolean, boolean) - Static method in class org.RDKit.RDKFuncs
calculates Balaban's J index for the molecule
computeBalabanJ(ROMol, boolean) - Static method in class org.RDKit.RDKFuncs
calculates Balaban's J index for the molecule
computeBalabanJ(ROMol) - Static method in class org.RDKit.RDKFuncs
calculates Balaban's J index for the molecule
computeBalabanJ(SWIGTYPE_p_double, int, int) - Static method in class org.RDKit.RDKFuncs
This is an overloaded member function, provided for convenience.
computeBalabanJ__SWIG_0(long, ROMol, boolean, boolean, long, Int_Vect, boolean) - Static method in class org.RDKit.RDKFuncsJNI
 
computeBalabanJ__SWIG_1(long, ROMol, boolean, boolean, long, Int_Vect) - Static method in class org.RDKit.RDKFuncsJNI
 
computeBalabanJ__SWIG_2(long, ROMol, boolean, boolean) - Static method in class org.RDKit.RDKFuncsJNI
 
computeBalabanJ__SWIG_3(long, ROMol, boolean) - Static method in class org.RDKit.RDKFuncsJNI
 
computeBalabanJ__SWIG_4(long, ROMol) - Static method in class org.RDKit.RDKFuncsJNI
 
computeBalabanJ__SWIG_5(long, int, int) - Static method in class org.RDKit.RDKFuncsJNI
 
computeCanonicalTransform(Point3D, boolean, boolean) - Method in class org.RDKit.Conformer
 
computeCanonicalTransform(Point3D, boolean) - Method in class org.RDKit.Conformer
 
computeCanonicalTransform(Point3D) - Method in class org.RDKit.Conformer
 
computeCanonicalTransform() - Method in class org.RDKit.Conformer
 
computeCanonicalTransform(Conformer, Point3D, boolean, boolean) - Static method in class org.RDKit.RDKFuncs
 
computeCanonicalTransform(Conformer, Point3D, boolean) - Static method in class org.RDKit.RDKFuncs
 
computeCanonicalTransform(Conformer, Point3D) - Static method in class org.RDKit.RDKFuncs
 
computeCanonicalTransform(Conformer) - Static method in class org.RDKit.RDKFuncs
 
computeCanonicalTransform__SWIG_0(long, Conformer, long, Point3D, boolean, boolean) - Static method in class org.RDKit.RDKFuncsJNI
 
computeCanonicalTransform__SWIG_1(long, Conformer, long, Point3D, boolean) - Static method in class org.RDKit.RDKFuncsJNI
 
computeCanonicalTransform__SWIG_2(long, Conformer, long, Point3D) - Static method in class org.RDKit.RDKFuncsJNI
 
computeCanonicalTransform__SWIG_3(long, Conformer) - Static method in class org.RDKit.RDKFuncsJNI
 
computeCentroid(boolean) - Method in class org.RDKit.Conformer
 
computeCentroid() - Method in class org.RDKit.Conformer
 
computeCentroid(Conformer, boolean) - Static method in class org.RDKit.RDKFuncs
 
computeCentroid(Conformer) - Static method in class org.RDKit.RDKFuncs
 
computeCentroid__SWIG_0(long, Conformer, boolean) - Static method in class org.RDKit.RDKFuncsJNI
 
computeCentroid__SWIG_1(long, Conformer) - Static method in class org.RDKit.RDKFuncsJNI
 
computeDihedral(Point_Vect, long, long, long, long, SWIGTYPE_p_double, SWIGTYPE_p_double, Point3D, Point3D, SWIGTYPE_p_double) - Static method in class org.RDKit.RDKFuncs
 
computeDihedral(Point_Vect, long, long, long, long, SWIGTYPE_p_double, SWIGTYPE_p_double, Point3D, Point3D) - Static method in class org.RDKit.RDKFuncs
 
computeDihedral(Point_Vect, long, long, long, long, SWIGTYPE_p_double, SWIGTYPE_p_double, Point3D) - Static method in class org.RDKit.RDKFuncs
 
computeDihedral(Point_Vect, long, long, long, long, SWIGTYPE_p_double, SWIGTYPE_p_double) - Static method in class org.RDKit.RDKFuncs
 
computeDihedral(Point_Vect, long, long, long, long, SWIGTYPE_p_double) - Static method in class org.RDKit.RDKFuncs
 
computeDihedral(Point_Vect, long, long, long, long) - Static method in class org.RDKit.RDKFuncs
 
computeDihedral(SWIGTYPE_p_double, long, long, long, long, SWIGTYPE_p_double, SWIGTYPE_p_double, Point3D, Point3D, SWIGTYPE_p_double) - Static method in class org.RDKit.RDKFuncs
 
computeDihedral(SWIGTYPE_p_double, long, long, long, long, SWIGTYPE_p_double, SWIGTYPE_p_double, Point3D, Point3D) - Static method in class org.RDKit.RDKFuncs
 
computeDihedral(SWIGTYPE_p_double, long, long, long, long, SWIGTYPE_p_double, SWIGTYPE_p_double, Point3D) - Static method in class org.RDKit.RDKFuncs
 
computeDihedral(SWIGTYPE_p_double, long, long, long, long, SWIGTYPE_p_double, SWIGTYPE_p_double) - Static method in class org.RDKit.RDKFuncs
 
computeDihedral(SWIGTYPE_p_double, long, long, long, long, SWIGTYPE_p_double) - Static method in class org.RDKit.RDKFuncs
 
computeDihedral(SWIGTYPE_p_double, long, long, long, long) - Static method in class org.RDKit.RDKFuncs
 
computeDihedral(Point3D, Point3D, Point3D, Point3D, SWIGTYPE_p_double, SWIGTYPE_p_double, Point3D, Point3D, SWIGTYPE_p_double) - Static method in class org.RDKit.RDKFuncs
 
computeDihedral(Point3D, Point3D, Point3D, Point3D, SWIGTYPE_p_double, SWIGTYPE_p_double, Point3D, Point3D) - Static method in class org.RDKit.RDKFuncs
 
computeDihedral(Point3D, Point3D, Point3D, Point3D, SWIGTYPE_p_double, SWIGTYPE_p_double, Point3D) - Static method in class org.RDKit.RDKFuncs
 
computeDihedral(Point3D, Point3D, Point3D, Point3D, SWIGTYPE_p_double, SWIGTYPE_p_double) - Static method in class org.RDKit.RDKFuncs
 
computeDihedral(Point3D, Point3D, Point3D, Point3D, SWIGTYPE_p_double) - Static method in class org.RDKit.RDKFuncs
 
computeDihedral(Point3D, Point3D, Point3D, Point3D) - Static method in class org.RDKit.RDKFuncs
 
computeDihedral__SWIG_0(long, Point_Vect, long, long, long, long, long, long, long, Point3D, long, Point3D, long) - Static method in class org.RDKit.RDKFuncsJNI
 
computeDihedral__SWIG_1(long, Point_Vect, long, long, long, long, long, long, long, Point3D, long, Point3D) - Static method in class org.RDKit.RDKFuncsJNI
 
computeDihedral__SWIG_10(long, long, long, long, long, long) - Static method in class org.RDKit.RDKFuncsJNI
 
computeDihedral__SWIG_11(long, long, long, long, long) - Static method in class org.RDKit.RDKFuncsJNI
 
computeDihedral__SWIG_12(long, Point3D, long, Point3D, long, Point3D, long, Point3D, long, long, long, Point3D, long, Point3D, long) - Static method in class org.RDKit.RDKFuncsJNI
 
computeDihedral__SWIG_13(long, Point3D, long, Point3D, long, Point3D, long, Point3D, long, long, long, Point3D, long, Point3D) - Static method in class org.RDKit.RDKFuncsJNI
 
computeDihedral__SWIG_14(long, Point3D, long, Point3D, long, Point3D, long, Point3D, long, long, long, Point3D) - Static method in class org.RDKit.RDKFuncsJNI
 
computeDihedral__SWIG_15(long, Point3D, long, Point3D, long, Point3D, long, Point3D, long, long) - Static method in class org.RDKit.RDKFuncsJNI
 
computeDihedral__SWIG_16(long, Point3D, long, Point3D, long, Point3D, long, Point3D, long) - Static method in class org.RDKit.RDKFuncsJNI
 
computeDihedral__SWIG_17(long, Point3D, long, Point3D, long, Point3D, long, Point3D) - Static method in class org.RDKit.RDKFuncsJNI
 
computeDihedral__SWIG_2(long, Point_Vect, long, long, long, long, long, long, long, Point3D) - Static method in class org.RDKit.RDKFuncsJNI
 
computeDihedral__SWIG_3(long, Point_Vect, long, long, long, long, long, long) - Static method in class org.RDKit.RDKFuncsJNI
 
computeDihedral__SWIG_4(long, Point_Vect, long, long, long, long, long) - Static method in class org.RDKit.RDKFuncsJNI
 
computeDihedral__SWIG_5(long, Point_Vect, long, long, long, long) - Static method in class org.RDKit.RDKFuncsJNI
 
computeDihedral__SWIG_6(long, long, long, long, long, long, long, long, Point3D, long, Point3D, long) - Static method in class org.RDKit.RDKFuncsJNI
 
computeDihedral__SWIG_7(long, long, long, long, long, long, long, long, Point3D, long, Point3D) - Static method in class org.RDKit.RDKFuncsJNI
 
computeDihedral__SWIG_8(long, long, long, long, long, long, long, long, Point3D) - Static method in class org.RDKit.RDKFuncsJNI
 
computeDihedral__SWIG_9(long, long, long, long, long, long, long) - Static method in class org.RDKit.RDKFuncsJNI
 
computeDihedralAngle(Point3D, Point3D, Point3D, Point3D) - Static method in class org.RDKit.RDKFuncs
 
computeDihedralAngle(long, Point3D, long, Point3D, long, Point3D, long, Point3D) - Static method in class org.RDKit.RDKFuncsJNI
 
computedPropName_get() - Static method in class org.RDKit.RDKFuncsJNI
 
ComputedProps - Static variable in class org.RDKit.PropertyPickleOptions
 
ComputedProps_get() - Static method in class org.RDKit.RDKFuncsJNI
 
computeGasteigerCharges(ROMol, int, boolean) - Method in class org.RDKit.ROMol
 
computeGasteigerCharges(ROMol, int) - Method in class org.RDKit.ROMol
 
computeGasteigerCharges(ROMol) - Method in class org.RDKit.ROMol
 
computeGasteigerCharges(ROMol, Double_Vect, int, boolean) - Method in class org.RDKit.ROMol
 
computeGasteigerCharges(ROMol, Double_Vect, int) - Method in class org.RDKit.ROMol
 
computeGasteigerCharges(ROMol, Double_Vect) - Method in class org.RDKit.ROMol
 
ComputeInitialCoords(DoubleSymmMatrix, Point3D_Vect, boolean, long) - Static method in class org.RDKit.DistanceGeom
 
ComputeInitialCoords(DoubleSymmMatrix, Point3D_Vect, boolean) - Static method in class org.RDKit.DistanceGeom
 
ComputeInitialCoords(DoubleSymmMatrix, Point3D_Vect) - Static method in class org.RDKit.DistanceGeom
 
computeInitialCoords(DoubleSymmMatrix, Point_Vect, boolean, long, int) - Static method in class org.RDKit.RDKFuncs
 
computeInitialCoords(DoubleSymmMatrix, Point_Vect, boolean, long) - Static method in class org.RDKit.RDKFuncs
 
computeInitialCoords(DoubleSymmMatrix, Point_Vect, boolean) - Static method in class org.RDKit.RDKFuncs
 
computeInitialCoords(DoubleSymmMatrix, Point_Vect) - Static method in class org.RDKit.RDKFuncs
 
computeInitialCoords(DoubleSymmMatrix, Point_Vect, SWIGTYPE_p_RDKit__double_source_type, boolean, long) - Static method in class org.RDKit.RDKFuncs
 
computeInitialCoords(DoubleSymmMatrix, Point_Vect, SWIGTYPE_p_RDKit__double_source_type, boolean) - Static method in class org.RDKit.RDKFuncs
 
computeInitialCoords(DoubleSymmMatrix, Point_Vect, SWIGTYPE_p_RDKit__double_source_type) - Static method in class org.RDKit.RDKFuncs
 
computeInitialCoords__SWIG_0(long, DoubleSymmMatrix, long, Point_Vect, boolean, long, int) - Static method in class org.RDKit.RDKFuncsJNI
 
computeInitialCoords__SWIG_1(long, DoubleSymmMatrix, long, Point_Vect, boolean, long) - Static method in class org.RDKit.RDKFuncsJNI
 
computeInitialCoords__SWIG_2(long, DoubleSymmMatrix, long, Point_Vect, boolean) - Static method in class org.RDKit.RDKFuncsJNI
 
computeInitialCoords__SWIG_3(long, DoubleSymmMatrix, long, Point_Vect) - Static method in class org.RDKit.RDKFuncsJNI
 
computeInitialCoords__SWIG_4(long, DoubleSymmMatrix, long, Point_Vect, long, boolean, long) - Static method in class org.RDKit.RDKFuncsJNI
 
computeInitialCoords__SWIG_5(long, DoubleSymmMatrix, long, Point_Vect, long, boolean) - Static method in class org.RDKit.RDKFuncsJNI
 
computeInitialCoords__SWIG_6(long, DoubleSymmMatrix, long, Point_Vect, long) - Static method in class org.RDKit.RDKFuncsJNI
 
computeRandomCoords(Point_Vect, double, int) - Static method in class org.RDKit.RDKFuncs
 
computeRandomCoords(Point_Vect, double) - Static method in class org.RDKit.RDKFuncs
 
computeRandomCoords(Point_Vect, double, SWIGTYPE_p_RDKit__double_source_type) - Static method in class org.RDKit.RDKFuncs
 
computeRandomCoords__SWIG_0(long, Point_Vect, double, int) - Static method in class org.RDKit.RDKFuncsJNI
 
computeRandomCoords__SWIG_1(long, Point_Vect, double) - Static method in class org.RDKit.RDKFuncsJNI
 
computeRandomCoords__SWIG_2(long, Point_Vect, double, long) - Static method in class org.RDKit.RDKFuncsJNI
 
computeSignedDihedralAngle(Point3D, Point3D, Point3D, Point3D) - Static method in class org.RDKit.RDKFuncs
 
computeSignedDihedralAngle(long, Point3D, long, Point3D, long, Point3D, long, Point3D) - Static method in class org.RDKit.RDKFuncsJNI
 
Conformer - Class in org.RDKit
The class for representing 2D or 3D conformation of a molecule.
Conformer(long, boolean) - Constructor for class org.RDKit.Conformer
 
Conformer() - Constructor for class org.RDKit.Conformer
 
Conformer(long) - Constructor for class org.RDKit.Conformer
 
Conformer(Conformer) - Constructor for class org.RDKit.Conformer
 
Conformer_canonicalizeConformer__SWIG_0(long, Conformer, long, Point3D, boolean, boolean) - Static method in class org.RDKit.RDKFuncsJNI
 
Conformer_canonicalizeConformer__SWIG_1(long, Conformer, long, Point3D, boolean) - Static method in class org.RDKit.RDKFuncsJNI
 
Conformer_canonicalizeConformer__SWIG_2(long, Conformer, long, Point3D) - Static method in class org.RDKit.RDKFuncsJNI
 
Conformer_canonicalizeConformer__SWIG_3(long, Conformer) - Static method in class org.RDKit.RDKFuncsJNI
 
Conformer_computeCanonicalTransform__SWIG_0(long, Conformer, long, Point3D, boolean, boolean) - Static method in class org.RDKit.RDKFuncsJNI
 
Conformer_computeCanonicalTransform__SWIG_1(long, Conformer, long, Point3D, boolean) - Static method in class org.RDKit.RDKFuncsJNI
 
Conformer_computeCanonicalTransform__SWIG_2(long, Conformer, long, Point3D) - Static method in class org.RDKit.RDKFuncsJNI
 
Conformer_computeCanonicalTransform__SWIG_3(long, Conformer) - Static method in class org.RDKit.RDKFuncsJNI
 
Conformer_computeCentroid__SWIG_0(long, Conformer, boolean) - Static method in class org.RDKit.RDKFuncsJNI
 
Conformer_computeCentroid__SWIG_1(long, Conformer) - Static method in class org.RDKit.RDKFuncsJNI
 
Conformer_getAtomPos__SWIG_0(long, Conformer, long) - Static method in class org.RDKit.RDKFuncsJNI
 
Conformer_getId(long, Conformer) - Static method in class org.RDKit.RDKFuncsJNI
 
Conformer_getNumAtoms(long, Conformer) - Static method in class org.RDKit.RDKFuncsJNI
 
Conformer_getOwningMol(long, Conformer) - Static method in class org.RDKit.RDKFuncsJNI
 
Conformer_getPositions__SWIG_0(long, Conformer) - Static method in class org.RDKit.RDKFuncsJNI
 
Conformer_hasOwningMol(long, Conformer) - Static method in class org.RDKit.RDKFuncsJNI
 
Conformer_is3D(long, Conformer) - Static method in class org.RDKit.RDKFuncsJNI
 
Conformer_reserve(long, Conformer, long) - Static method in class org.RDKit.RDKFuncsJNI
 
Conformer_resize(long, Conformer, long) - Static method in class org.RDKit.RDKFuncsJNI
 
Conformer_set3D(long, Conformer, boolean) - Static method in class org.RDKit.RDKFuncsJNI
 
Conformer_setAtomPos(long, Conformer, long, long, Point3D) - Static method in class org.RDKit.RDKFuncsJNI
 
Conformer_setId(long, Conformer, long) - Static method in class org.RDKit.RDKFuncsJNI
 
Conformer_transformConformer(long, Conformer, long, Transform3D) - Static method in class org.RDKit.RDKFuncsJNI
 
ConformerException - Exception in org.RDKit
 
ConformerException(long, boolean) - Constructor for exception org.RDKit.ConformerException
 
ConformerException(String) - Constructor for exception org.RDKit.ConformerException
 
ConformerException_message(long, ConformerException) - Static method in class org.RDKit.RDKFuncsJNI
 
ConstBondIterator - Class in org.RDKit
 
ConstBondIterator(long, boolean) - Constructor for class org.RDKit.ConstBondIterator
 
ConstBondIterator() - Constructor for class org.RDKit.ConstBondIterator
 
ConstBondIterator(ROMol) - Constructor for class org.RDKit.ConstBondIterator
 
ConstBondIterator(ROMol, SWIGTYPE_p_boost__adjacency_listT_boost__vecS_boost__vecS_boost__undirectedS_RDKit__Atom_p_RDKit__Bond_p_t__edge_iterator) - Constructor for class org.RDKit.ConstBondIterator
 
ConstBondIterator(ConstBondIterator) - Constructor for class org.RDKit.ConstBondIterator
 
ConstBondIterator_eq(long, ConstBondIterator, long, ConstBondIterator) - Static method in class org.RDKit.RDKFuncsJNI
 
ConstBondIterator_getBond(long, ConstBondIterator) - Static method in class org.RDKit.RDKFuncsJNI
 
ConstBondIterator_ne(long, ConstBondIterator, long, ConstBondIterator) - Static method in class org.RDKit.RDKFuncsJNI
 
ConstBondIterator_next__SWIG_0(long, ConstBondIterator) - Static method in class org.RDKit.RDKFuncsJNI
 
ConstBondIterator_next__SWIG_1(long, ConstBondIterator, int) - Static method in class org.RDKit.RDKFuncsJNI
 
ConstBondIterator_prev__SWIG_0(long, ConstBondIterator) - Static method in class org.RDKit.RDKFuncsJNI
 
ConstBondIterator_prev__SWIG_1(long, ConstBondIterator, int) - Static method in class org.RDKit.RDKFuncsJNI
 
construct3DForceField(BoundsMatrix, Point3D_Vect, SWIGTYPE_p_ForceFields__CrystalFF__CrystalFFDetails) - Static method in class org.RDKit.RDKFuncs
 
construct3DForceField(long, BoundsMatrix, long, Point3D_Vect, long) - Static method in class org.RDKit.RDKFuncsJNI
 
construct3DImproperForceField(BoundsMatrix, Point3D_Vect, Int_Vect_Vect, Int_Vect) - Static method in class org.RDKit.RDKFuncs
 
construct3DImproperForceField(long, BoundsMatrix, long, Point3D_Vect, long, Int_Vect_Vect, long, Int_Vect) - Static method in class org.RDKit.RDKFuncsJNI
 
ConstructForceField(BoundsMatrix, Point_Vect, SWIGTYPE_p_std__vectorT_boost__shared_ptrT_DistGeom__ChiralSet_t_t, double, double, SWIGTYPE_p_std__mapT_std__pairT_boost__int32_t_int_t_double_t, double) - Static method in class org.RDKit.DistanceGeom
 
ConstructForceField(BoundsMatrix, Point_Vect, SWIGTYPE_p_std__vectorT_boost__shared_ptrT_DistGeom__ChiralSet_t_t, double, double, SWIGTYPE_p_std__mapT_std__pairT_boost__int32_t_int_t_double_t) - Static method in class org.RDKit.DistanceGeom
 
ConstructForceField(BoundsMatrix, Point_Vect, SWIGTYPE_p_std__vectorT_boost__shared_ptrT_DistGeom__ChiralSet_t_t, double, double) - Static method in class org.RDKit.DistanceGeom
 
ConstructForceField(BoundsMatrix, Point_Vect, SWIGTYPE_p_std__vectorT_boost__shared_ptrT_DistGeom__ChiralSet_t_t, double) - Static method in class org.RDKit.DistanceGeom
 
ConstructForceField(BoundsMatrix, Point_Vect, SWIGTYPE_p_std__vectorT_boost__shared_ptrT_DistGeom__ChiralSet_t_t) - Static method in class org.RDKit.DistanceGeom
 
constructPlain3DForceField(BoundsMatrix, Point3D_Vect, SWIGTYPE_p_ForceFields__CrystalFF__CrystalFFDetails) - Static method in class org.RDKit.RDKFuncs
 
constructPlain3DForceField(long, BoundsMatrix, long, Point3D_Vect, long) - Static method in class org.RDKit.RDKFuncsJNI
 
contourAndDrawGaussians(MolDraw2D, SWIGTYPE_p_std__vectorT_RDGeom__Point2D_t, Double_Vect, Double_Vect, long, Double_Vect, ContourParams) - Static method in class org.RDKit.RDKFuncs
 
contourAndDrawGaussians(MolDraw2D, SWIGTYPE_p_std__vectorT_RDGeom__Point2D_t, Double_Vect, Double_Vect, long, Double_Vect) - Static method in class org.RDKit.RDKFuncs
 
contourAndDrawGaussians(MolDraw2D, SWIGTYPE_p_std__vectorT_RDGeom__Point2D_t, Double_Vect, Double_Vect, long, ContourParams) - Static method in class org.RDKit.RDKFuncs
 
contourAndDrawGaussians(MolDraw2D, SWIGTYPE_p_std__vectorT_RDGeom__Point2D_t, Double_Vect, Double_Vect, long) - Static method in class org.RDKit.RDKFuncs
 
contourAndDrawGaussians(MolDraw2D, SWIGTYPE_p_std__vectorT_RDGeom__Point2D_t, Double_Vect, Double_Vect) - Static method in class org.RDKit.RDKFuncs
 
contourAndDrawGaussians__SWIG_0(long, MolDraw2D, long, long, Double_Vect, long, Double_Vect, long, long, Double_Vect, long, ContourParams) - Static method in class org.RDKit.RDKFuncsJNI
 
contourAndDrawGaussians__SWIG_1(long, MolDraw2D, long, long, Double_Vect, long, Double_Vect, long, long, Double_Vect) - Static method in class org.RDKit.RDKFuncsJNI
 
contourAndDrawGaussians__SWIG_2(long, MolDraw2D, long, long, Double_Vect, long, Double_Vect, long, long, ContourParams) - Static method in class org.RDKit.RDKFuncsJNI
 
contourAndDrawGaussians__SWIG_3(long, MolDraw2D, long, long, Double_Vect, long, Double_Vect, long) - Static method in class org.RDKit.RDKFuncsJNI
 
contourAndDrawGaussians__SWIG_4(long, MolDraw2D, long, long, Double_Vect, long, Double_Vect) - Static method in class org.RDKit.RDKFuncsJNI
 
contourAndDrawGrid(MolDraw2D, SWIGTYPE_p_double, Double_Vect, Double_Vect, long, Double_Vect, ContourParams) - Static method in class org.RDKit.RDKFuncs
 
contourAndDrawGrid(MolDraw2D, SWIGTYPE_p_double, Double_Vect, Double_Vect, long, Double_Vect) - Static method in class org.RDKit.RDKFuncs
 
contourAndDrawGrid(MolDraw2D, SWIGTYPE_p_double, Double_Vect, Double_Vect, long, ContourParams) - Static method in class org.RDKit.RDKFuncs
 
contourAndDrawGrid(MolDraw2D, SWIGTYPE_p_double, Double_Vect, Double_Vect, long) - Static method in class org.RDKit.RDKFuncs
 
contourAndDrawGrid(MolDraw2D, SWIGTYPE_p_double, Double_Vect, Double_Vect) - Static method in class org.RDKit.RDKFuncs
 
contourAndDrawGrid__SWIG_0(long, MolDraw2D, long, long, Double_Vect, long, Double_Vect, long, long, Double_Vect, long, ContourParams) - Static method in class org.RDKit.RDKFuncsJNI
 
contourAndDrawGrid__SWIG_1(long, MolDraw2D, long, long, Double_Vect, long, Double_Vect, long, long, Double_Vect) - Static method in class org.RDKit.RDKFuncsJNI
 
contourAndDrawGrid__SWIG_2(long, MolDraw2D, long, long, Double_Vect, long, Double_Vect, long, long, ContourParams) - Static method in class org.RDKit.RDKFuncsJNI
 
contourAndDrawGrid__SWIG_3(long, MolDraw2D, long, long, Double_Vect, long, Double_Vect, long) - Static method in class org.RDKit.RDKFuncsJNI
 
contourAndDrawGrid__SWIG_4(long, MolDraw2D, long, long, Double_Vect, long, Double_Vect) - Static method in class org.RDKit.RDKFuncsJNI
 
ContourParams - Class in org.RDKit
 
ContourParams(long, boolean) - Constructor for class org.RDKit.ContourParams
 
ContourParams() - Constructor for class org.RDKit.ContourParams
 
ContourParams_colourMap_get(long, ContourParams) - Static method in class org.RDKit.RDKFuncsJNI
 
ContourParams_colourMap_set(long, ContourParams, long) - Static method in class org.RDKit.RDKFuncsJNI
 
ContourParams_contourColour_get(long, ContourParams) - Static method in class org.RDKit.RDKFuncsJNI
 
ContourParams_contourColour_set(long, ContourParams, long, DrawColour) - Static method in class org.RDKit.RDKFuncsJNI
 
ContourParams_contourWidth_get(long, ContourParams) - Static method in class org.RDKit.RDKFuncsJNI
 
ContourParams_contourWidth_set(long, ContourParams, double) - Static method in class org.RDKit.RDKFuncsJNI
 
ContourParams_dashNegative_get(long, ContourParams) - Static method in class org.RDKit.RDKFuncsJNI
 
ContourParams_dashNegative_set(long, ContourParams, boolean) - Static method in class org.RDKit.RDKFuncsJNI
 
ContourParams_extraGridPadding_get(long, ContourParams) - Static method in class org.RDKit.RDKFuncsJNI
 
ContourParams_extraGridPadding_set(long, ContourParams, double) - Static method in class org.RDKit.RDKFuncsJNI
 
ContourParams_fillGrid_get(long, ContourParams) - Static method in class org.RDKit.RDKFuncsJNI
 
ContourParams_fillGrid_set(long, ContourParams, boolean) - Static method in class org.RDKit.RDKFuncsJNI
 
ContourParams_gridResolution_get(long, ContourParams) - Static method in class org.RDKit.RDKFuncsJNI
 
ContourParams_gridResolution_set(long, ContourParams, double) - Static method in class org.RDKit.RDKFuncsJNI
 
ContourParams_setScale_get(long, ContourParams) - Static method in class org.RDKit.RDKFuncsJNI
 
ContourParams_setScale_set(long, ContourParams, boolean) - Static method in class org.RDKit.RDKFuncsJNI
 
contribs() - Method in class org.RDKit.ForceField
 
convertToBonds(Int_Vect_Vect, Int_Vect_Vect, ROMol) - Static method in class org.RDKit.RDKFuncs
 
convertToBonds(long, Int_Vect_Vect, long, Int_Vect_Vect, long, ROMol) - Static method in class org.RDKit.RDKFuncsJNI
 
convertToExplicit(SWIGTYPE_p_SparseBitVect) - Static method in class org.RDKit.RDKFuncs
 
convertToExplicit(long) - Static method in class org.RDKit.RDKFuncsJNI
 
copy() - Method in class org.RDKit.AngleBendContrib
 
copy() - Method in class org.RDKit.Atom
makes a copy of this Atom and returns a pointer to it.
copy() - Method in exception org.RDKit.AtomKekulizeException
 
copy() - Method in class org.RDKit.AtomMonomerInfo
 
copy() - Method in class org.RDKit.AtomPDBResidueInfo
 
copy() - Method in class org.RDKit.AtomRingQuery
 
copy() - Method in exception org.RDKit.AtomSanitizeException
 
copy() - Method in exception org.RDKit.AtomValenceException
 
copy() - Method in class org.RDKit.Bond
copy() - Method in class org.RDKit.BondStretchContrib
 
copy() - Method in class org.RDKit.DistanceConstraintContrib
 
copy() - Method in class org.RDKit.FilterMatcherBase
 
copy() - Method in class org.RDKit.ForceFieldContrib
 
copy() - Method in class org.RDKit.InversionContrib
 
copy() - Method in exception org.RDKit.KekulizeException
 
copy() - Method in exception org.RDKit.MolSanitizeException
 
copy() - Method in class org.RDKit.Point
 
copy() - Method in class org.RDKit.Point2D
 
copy() - Method in class org.RDKit.Point3D
 
copy() - Method in class org.RDKit.PointND
 
copy() - Method in class org.RDKit.QueryAtom
makes a copy of this Atom and returns a pointer to it.
copy() - Method in class org.RDKit.QueryBond
copy() - Method in class org.RDKit.RecursiveStructureQuery
 
copy() - Method in class org.RDKit.TorsionAngleContrib
 
copy() - Method in class org.RDKit.vdWContrib
 
CORINA_get() - Static method in class org.RDKit.RDKFuncsJNI
 
CosineSimilarity(ExplicitBitVect, ExplicitBitVect) - Static method in class org.RDKit.RDKFuncs
 
CosineSimilarity(long, ExplicitBitVect, long, ExplicitBitVect) - Static method in class org.RDKit.RDKFuncsJNI
 
countAtomElec(Atom) - Static method in class org.RDKit.RDKFuncs
return the number of electrons available on an atom to donate for aromaticity
countAtomElec(long, Atom) - Static method in class org.RDKit.RDKFuncsJNI
 
countMatches(ROMol, boolean, boolean, boolean, int) - Method in class org.RDKit.SubstructLibrary
 
countMatches(ROMol, boolean, boolean, boolean) - Method in class org.RDKit.SubstructLibrary
 
countMatches(ROMol, boolean, boolean) - Method in class org.RDKit.SubstructLibrary
 
countMatches(ROMol, boolean) - Method in class org.RDKit.SubstructLibrary
 
countMatches(ROMol) - Method in class org.RDKit.SubstructLibrary
 
countMatches(ROMol, long, long, boolean, boolean, boolean, int) - Method in class org.RDKit.SubstructLibrary
 
countMatches(ROMol, long, long, boolean, boolean, boolean) - Method in class org.RDKit.SubstructLibrary
 
countMatches(ROMol, long, long, boolean, boolean) - Method in class org.RDKit.SubstructLibrary
 
countMatches(ROMol, long, long, boolean) - Method in class org.RDKit.SubstructLibrary
 
countMatches(ROMol, long, long) - Method in class org.RDKit.SubstructLibrary
 
createPartialBond(long, Bond.BondType) - Method in class org.RDKit.RWMol
starts a Bond and sets its beginAtomIdx
createPartialBond(long) - Method in class org.RDKit.RWMol
starts a Bond and sets its beginAtomIdx
crossProduct(Point3D) - Method in class org.RDKit.Point3D
Cross product of this point with the another point.

D

dash() - Method in class org.RDKit.MolDraw2D
 
debugMol(SWIGTYPE_p_std__ostream) - Method in class org.RDKit.ROMol
 
DEFAULT_FILTERMATCHERBASE_NAME_get() - Static method in class org.RDKit.RDKFuncsJNI
 
DEFAULT_FILTERMATCHERBASE_NAME_set(String) - Static method in class org.RDKit.RDKFuncsJNI
 
Default_get() - Static method in class org.RDKit.RDKFuncsJNI
 
defaultCleanupParameters_get() - Static method in class org.RDKit.RDKFuncsJNI
 
defaultConfId_get() - Static method in class org.RDKit.RDKFuncsJNI
 
defaultConfId_set(int) - Static method in class org.RDKit.RDKFuncsJNI
 
DefaultDifferenceFPParams_get() - Static method in class org.RDKit.RDKFuncsJNI
 
defaultFeatureSmarts_get() - Static method in class org.RDKit.RDKFuncsJNI
 
defaultFeatureSmarts_set(long, Str_Vect) - Static method in class org.RDKit.RDKFuncsJNI
 
DefaultStructuralFPParams_get() - Static method in class org.RDKit.RDKFuncsJNI
 
DefaultValence() - Method in class org.RDKit.atomicData
 
DEG2RAD_get() - Static method in class org.RDKit.RDKFuncsJNI
 
del(long) - Method in class org.RDKit.BitInfoMap
 
del(int) - Method in class org.RDKit.ColourPalette
 
del(int) - Method in class org.RDKit.Int_Double_Map
 
del(int) - Method in class org.RDKit.Int_Int_Map
 
del(int) - Method in class org.RDKit.Int_Int_Vect_List_Map
 
del(int) - Method in class org.RDKit.Int_Int_Vect_Map
 
del(int) - Method in class org.RDKit.Int_Point2D_Map
 
del(int) - Method in class org.RDKit.Int_Point3D_Map
 
del(int) - Method in class org.RDKit.Int_String_Map
 
del(String) - Method in class org.RDKit.String_String_Map
 
del(String) - Method in class org.RDKit.StringMolMap
 
del(String) - Method in class org.RDKit.StringROMol_VectMap
 
del(long) - Method in class org.RDKit.UIntMolMap
 
delete() - Method in class org.RDKit.AdjustQueryParameters
 
delete() - Method in class org.RDKit.AngleBendContrib
 
delete() - Method in class org.RDKit.AromaticAtomIterator
 
delete() - Method in class org.RDKit.Atom
 
delete() - Method in class org.RDKit.Atom_Vect
 
delete() - Method in class org.RDKit.Atomic_Params_Vect
 
delete() - Method in class org.RDKit.atomicData
 
delete() - Method in class org.RDKit.AtomicParams
 
delete() - Method in class org.RDKit.AtomIterator
 
delete() - Method in exception org.RDKit.AtomKekulizeException
 
delete() - Method in class org.RDKit.AtomMonomerInfo
 
delete() - Method in class org.RDKit.AtomPDBResidueInfo
 
delete() - Method in class org.RDKit.AtomRingQuery
 
delete() - Method in exception org.RDKit.AtomSanitizeException
 
delete() - Method in exception org.RDKit.AtomValenceException
 
delete() - Method in class org.RDKit.BitInfoMap
 
delete() - Method in class org.RDKit.BitVect
 
delete() - Method in class org.RDKit.Bond
 
delete() - Method in class org.RDKit.Bond_Vect
 
delete() - Method in class org.RDKit.BondIterator
 
delete() - Method in class org.RDKit.BondStretchContrib
 
delete() - Method in class org.RDKit.BoundsMatrix
 
delete() - Method in class org.RDKit.Byte_Vect
 
delete() - Method in class org.RDKit.CachedMolHolder
 
delete() - Method in class org.RDKit.CachedSmilesMolHolder
 
delete() - Method in class org.RDKit.CachedTrustedSmilesMolHolder
 
delete() - Method in class org.RDKit.CatalogParams
 
delete() - Method in class org.RDKit.charptr_functor
 
delete() - Method in class org.RDKit.ChemicalReaction
 
delete() - Method in exception org.RDKit.ChemicalReactionException
 
delete() - Method in exception org.RDKit.ChemicalReactionParserException
 
delete() - Method in class org.RDKit.ChiralSet
 
delete() - Method in class org.RDKit.CleanupParameters
 
delete() - Method in class org.RDKit.ColourPalette
 
delete() - Method in class org.RDKit.Conformer
 
delete() - Method in exception org.RDKit.ConformerException
 
delete() - Method in class org.RDKit.ConstBondIterator
 
delete() - Method in class org.RDKit.ContourParams
 
delete() - Method in class org.RDKit.Dict
 
delete() - Method in class org.RDKit.DistanceConstraintContrib
 
delete() - Method in class org.RDKit.DistanceGeom
 
delete() - Method in class org.RDKit.Double_Array
 
delete() - Method in class org.RDKit.Double_Pair
 
delete() - Method in class org.RDKit.Double_Vect
 
delete() - Method in class org.RDKit.DoubleMatrix
 
delete() - Method in class org.RDKit.DoubleSquareMatrix
 
delete() - Method in class org.RDKit.DoubleSymmMatrix
 
delete() - Method in class org.RDKit.DrawColour
 
delete() - Method in class org.RDKit.EBV_Vect
 
delete() - Method in class org.RDKit.EmbedParameters
 
delete() - Method in class org.RDKit.ExplicitBitVect
 
delete() - Method in class org.RDKit.ExtraInchiReturnValues
 
delete() - Method in class org.RDKit.FF_Contrib_Vect
 
delete() - Method in class org.RDKit.FilterCatalog
 
delete() - Method in class org.RDKit.FilterCatalogEntry
 
delete() - Method in class org.RDKit.FilterCatalogEntry_Vect
 
delete() - Method in class org.RDKit.FilterCatalogEntry_VectVect
 
delete() - Method in class org.RDKit.FilterCatalogEntryVect
 
delete() - Method in class org.RDKit.FilterCatalogParams
 
delete() - Method in class org.RDKit.FilterMatch
 
delete() - Method in class org.RDKit.FilterMatch_Vect
 
delete() - Method in class org.RDKit.FilterMatcherBase
 
delete() - Method in class org.RDKit.Flagged_Atomic_Params_Vect
 
delete() - Method in class org.RDKit.Float_Pair
 
delete() - Method in class org.RDKit.Float_Pair_Vect
 
delete() - Method in class org.RDKit.ForceField
 
delete() - Method in class org.RDKit.ForceFieldContrib
 
delete() - Method in class org.RDKit.ForwardSDMolSupplier
 
delete() - Method in class org.RDKit.FPHolderBase
 
delete() - Method in class org.RDKit.FragmenterBondType
 
delete() - Method in exception org.RDKit.GenericRDKitException
 
delete() - Method in class org.RDKit.gzstream
 
delete() - Method in class org.RDKit.HeteroatomIterator
 
delete() - Method in class org.RDKit.IndexErrorException
 
delete() - Method in class org.RDKit.Int_Double_Map
 
delete() - Method in class org.RDKit.Int_Int_Map
 
delete() - Method in class org.RDKit.Int_Int_Vect_List_Map
 
delete() - Method in class org.RDKit.Int_Int_Vect_Map
 
delete() - Method in class org.RDKit.Int_List
 
delete() - Method in class org.RDKit.Int_Pair
 
delete() - Method in class org.RDKit.Int_Point2D_Map
 
delete() - Method in class org.RDKit.Int_Point3D_Map
 
delete() - Method in class org.RDKit.Int_String_Map
 
delete() - Method in class org.RDKit.Int_Vect
 
delete() - Method in class org.RDKit.Int_Vect_List
 
delete() - Method in class org.RDKit.Int_Vect_Vect
 
delete() - Method in class org.RDKit.IntMatrix
 
delete() - Method in class org.RDKit.IntSymmMatrix
 
delete() - Method in class org.RDKit.InversionContrib
 
delete() - Method in exception org.RDKit.KekulizeException
 
delete() - Method in exception org.RDKit.KeyErrorException
 
delete() - Method in class org.RDKit.Long_Pair
 
delete() - Method in class org.RDKit.Long_Pair_Vect
 
delete() - Method in class org.RDKit.ltDouble
 
delete() - Method in class org.RDKit.Match_Vect
 
delete() - Method in class org.RDKit.Match_Vect_Vect
 
delete() - Method in class org.RDKit.MCSAtomCompareParameters
 
delete() - Method in class org.RDKit.MCSBondCompareParameters
 
delete() - Method in class org.RDKit.MCSProgressData
 
delete() - Method in class org.RDKit.MCSResult
 
delete() - Method in class org.RDKit.MolDraw2D
 
delete() - Method in class org.RDKit.MolDraw2DSVG
 
delete() - Method in class org.RDKit.MolDrawOptions
 
delete() - Method in class org.RDKit.MolFileUnhandledFeatureException
 
delete() - Method in class org.RDKit.MolHolder
 
delete() - Method in class org.RDKit.MolHolderBase
 
delete() - Method in exception org.RDKit.MolPicklerException
 
delete() - Method in exception org.RDKit.MolSanitizeException
 
delete() - Method in class org.RDKit.MolSanitizeException_Vect
 
delete() - Method in class org.RDKit.MolStackElem
 
delete() - Method in class org.RDKit.MolStackUnion
 
delete() - Method in class org.RDKit.MolSupplier
 
delete() - Method in class org.RDKit.MolWriter
 
delete() - Method in class org.RDKit.ParamCollection
 
delete() - Method in class org.RDKit.PatternHolder
 
delete() - Method in class org.RDKit.PDBMolSupplier
 
delete() - Method in class org.RDKit.PDBWriter
 
delete() - Method in class org.RDKit.PeriodicTable
 
delete() - Method in class org.RDKit.Point
 
delete() - Method in class org.RDKit.Point2D
 
delete() - Method in class org.RDKit.Point2D_Vect
 
delete() - Method in class org.RDKit.Point3D
 
delete() - Method in class org.RDKit.Point3D_Vect
 
delete() - Method in class org.RDKit.Point_Vect
 
delete() - Method in class org.RDKit.PointND
 
delete() - Method in class org.RDKit.QueryAtom
 
delete() - Method in class org.RDKit.QueryAtomIterator
 
delete() - Method in class org.RDKit.QueryBond
 
delete() - Method in class org.RDKit.RDProps
 
delete() - Method in class org.RDKit.ReactionFingerprintParams
 
delete() - Method in class org.RDKit.RecursiveStructureQuery
 
delete() - Method in class org.RDKit.ResonanceMolSupplier
 
delete() - Method in class org.RDKit.RGroupDecomposition
 
delete() - Method in class org.RDKit.RGroupDecompositionParameters
 
delete() - Method in class org.RDKit.RingInfo
 
delete() - Method in class org.RDKit.ROMol
 
delete() - Method in class org.RDKit.ROMol_Vect
 
delete() - Method in class org.RDKit.ROMol_Vect_Vect
 
delete() - Method in class org.RDKit.RWMol
 
delete() - Method in class org.RDKit.SDMolSupplier
 
delete() - Method in class org.RDKit.SDWriter
 
delete() - Method in class org.RDKit.Shared_Double_Array
 
delete() - Method in class org.RDKit.Shared_Int_Array
 
delete() - Method in class org.RDKit.SmilesMolSupplier
 
delete() - Method in exception org.RDKit.SmilesParseException
 
delete() - Method in class org.RDKit.SmilesParserParams
 
delete() - Method in class org.RDKit.SmilesWriter
 
delete() - Method in class org.RDKit.Snapshot
 
delete() - Method in class org.RDKit.SparseIntVect32
 
delete() - Method in class org.RDKit.SparseIntVect64
 
delete() - Method in class org.RDKit.SparseIntVectu32
 
delete() - Method in class org.RDKit.ss_matcher
 
delete() - Method in class org.RDKit.StereoGroup
 
delete() - Method in class org.RDKit.StereoGroup_Vect
 
delete() - Method in class org.RDKit.Str_Vect
 
delete() - Method in class org.RDKit.String_String_Map
 
delete() - Method in class org.RDKit.StringInt_Pair
 
delete() - Method in class org.RDKit.StringMolMap
 
delete() - Method in class org.RDKit.StringMolMap_Vect
 
delete() - Method in class org.RDKit.StringROMol_VectMap
 
delete() - Method in class org.RDKit.SubstructLibrary
 
delete() - Method in class org.RDKit.SubstructMatchParameters
 
delete() - Method in class org.RDKit.TDTMolSupplier
 
delete() - Method in class org.RDKit.TDTWriter
 
delete() - Method in class org.RDKit.TorsionAngleContrib
 
delete() - Method in class org.RDKit.Trajectory
 
delete() - Method in class org.RDKit.Transform2D
 
delete() - Method in class org.RDKit.Transform3D
 
delete() - Method in class org.RDKit.UChar_Vect
 
delete() - Method in class org.RDKit.UFFAngle
 
delete() - Method in class org.RDKit.UFFBond
 
delete() - Method in class org.RDKit.UFFInv
 
delete() - Method in class org.RDKit.UFFTor
 
delete() - Method in class org.RDKit.UFFVdW
 
delete() - Method in class org.RDKit.UInt_List
 
delete() - Method in class org.RDKit.UInt_Pair
 
delete() - Method in class org.RDKit.UInt_Pair_Vect
 
delete() - Method in class org.RDKit.UInt_Vect
 
delete() - Method in class org.RDKit.UIntMolMap
 
delete() - Method in class org.RDKit.UIntPair
 
delete() - Method in class org.RDKit.UIntPairVect
 
delete() - Method in class org.RDKit.ValueErrorException
 
delete() - Method in class org.RDKit.vdWContrib
 
delete_AdjustQueryParameters(long) - Static method in class org.RDKit.RDKFuncsJNI
 
delete_AngleBendContrib(long) - Static method in class org.RDKit.RDKFuncsJNI
 
delete_AromaticAtomIterator(long) - Static method in class org.RDKit.RDKFuncsJNI
 
delete_Atom(long) - Static method in class org.RDKit.RDKFuncsJNI
 
delete_Atom_Vect(long) - Static method in class org.RDKit.RDKFuncsJNI
 
delete_Atomic_Params_Vect(long) - Static method in class org.RDKit.RDKFuncsJNI
 
delete_atomicData(long) - Static method in class org.RDKit.RDKFuncsJNI
 
delete_AtomicParams(long) - Static method in class org.RDKit.RDKFuncsJNI
 
delete_AtomIterator(long) - Static method in class org.RDKit.RDKFuncsJNI
 
delete_AtomKekulizeException(long) - Static method in class org.RDKit.RDKFuncsJNI
 
delete_AtomMonomerInfo(long) - Static method in class org.RDKit.RDKFuncsJNI
 
delete_AtomPDBResidueInfo(long) - Static method in class org.RDKit.RDKFuncsJNI
 
delete_AtomRingQuery(long) - Static method in class org.RDKit.RDKFuncsJNI
 
delete_AtomSanitizeException(long) - Static method in class org.RDKit.RDKFuncsJNI
 
delete_AtomValenceException(long) - Static method in class org.RDKit.RDKFuncsJNI
 
delete_BitInfoMap(long) - Static method in class org.RDKit.RDKFuncsJNI
 
delete_BitVect(long) - Static method in class org.RDKit.RDKFuncsJNI
 
delete_Bond(long) - Static method in class org.RDKit.RDKFuncsJNI
 
delete_Bond_Vect(long) - Static method in class org.RDKit.RDKFuncsJNI
 
delete_BondIterator(long) - Static method in class org.RDKit.RDKFuncsJNI
 
delete_BondStretchContrib(long) - Static method in class org.RDKit.RDKFuncsJNI
 
delete_BoundsMatrix(long) - Static method in class org.RDKit.RDKFuncsJNI
 
delete_Byte_Vect(long) - Static method in class org.RDKit.RDKFuncsJNI
 
delete_CachedMolHolder(long) - Static method in class org.RDKit.RDKFuncsJNI
 
delete_CachedSmilesMolHolder(long) - Static method in class org.RDKit.RDKFuncsJNI
 
delete_CachedTrustedSmilesMolHolder(long) - Static method in class org.RDKit.RDKFuncsJNI
 
delete_CatalogParams(long) - Static method in class org.RDKit.RDKFuncsJNI
 
delete_charptr_functor(long) - Static method in class org.RDKit.RDKFuncsJNI
 
delete_ChemicalReaction(long) - Static method in class org.RDKit.RDKFuncsJNI
 
delete_ChemicalReactionException(long) - Static method in class org.RDKit.RDKFuncsJNI
 
delete_ChemicalReactionParserException(long) - Static method in class org.RDKit.RDKFuncsJNI
 
delete_ChiralSet(long) - Static method in class org.RDKit.RDKFuncsJNI
 
delete_CleanupParameters(long) - Static method in class org.RDKit.RDKFuncsJNI
 
delete_ColourPalette(long) - Static method in class org.RDKit.RDKFuncsJNI
 
delete_Conformer(long) - Static method in class org.RDKit.RDKFuncsJNI
 
delete_ConformerException(long) - Static method in class org.RDKit.RDKFuncsJNI
 
delete_ConstBondIterator(long) - Static method in class org.RDKit.RDKFuncsJNI
 
delete_ContourParams(long) - Static method in class org.RDKit.RDKFuncsJNI
 
delete_Dict(long) - Static method in class org.RDKit.RDKFuncsJNI
 
delete_DistanceConstraintContrib(long) - Static method in class org.RDKit.RDKFuncsJNI
 
delete_DistanceGeom(long) - Static method in class org.RDKit.RDKFuncsJNI
 
delete_Double_Array(long) - Static method in class org.RDKit.RDKFuncsJNI
 
delete_Double_Pair(long) - Static method in class org.RDKit.RDKFuncsJNI
 
delete_Double_Vect(long) - Static method in class org.RDKit.RDKFuncsJNI
 
delete_DoubleMatrix(long) - Static method in class org.RDKit.RDKFuncsJNI
 
delete_DoubleSquareMatrix(long) - Static method in class org.RDKit.RDKFuncsJNI
 
delete_DoubleSymmMatrix(long) - Static method in class org.RDKit.RDKFuncsJNI
 
delete_DrawColour(long) - Static method in class org.RDKit.RDKFuncsJNI
 
delete_EBV_Vect(long) - Static method in class org.RDKit.RDKFuncsJNI
 
delete_EmbedParameters(long) - Static method in class org.RDKit.RDKFuncsJNI
 
delete_ExplicitBitVect(long) - Static method in class org.RDKit.RDKFuncsJNI
 
delete_ExtraInchiReturnValues(long) - Static method in class org.RDKit.RDKFuncsJNI
 
delete_FF_Contrib_Vect(long) - Static method in class org.RDKit.RDKFuncsJNI
 
delete_FilterCatalog(long) - Static method in class org.RDKit.RDKFuncsJNI
 
delete_FilterCatalogEntry(long) - Static method in class org.RDKit.RDKFuncsJNI
 
delete_FilterCatalogEntry_Vect(long) - Static method in class org.RDKit.RDKFuncsJNI
 
delete_FilterCatalogEntry_VectVect(long) - Static method in class org.RDKit.RDKFuncsJNI
 
delete_FilterCatalogEntryVect(long) - Static method in class org.RDKit.RDKFuncsJNI
 
delete_FilterCatalogParams(long) - Static method in class org.RDKit.RDKFuncsJNI
 
delete_FilterMatch(long) - Static method in class org.RDKit.RDKFuncsJNI
 
delete_FilterMatch_Vect(long) - Static method in class org.RDKit.RDKFuncsJNI
 
delete_FilterMatcherBase(long) - Static method in class org.RDKit.RDKFuncsJNI
 
delete_Flagged_Atomic_Params_Vect(long) - Static method in class org.RDKit.RDKFuncsJNI
 
delete_Float_Pair(long) - Static method in class org.RDKit.RDKFuncsJNI
 
delete_Float_Pair_Vect(long) - Static method in class org.RDKit.RDKFuncsJNI
 
delete_ForceField(long) - Static method in class org.RDKit.RDKFuncsJNI
 
delete_ForceFieldContrib(long) - Static method in class org.RDKit.RDKFuncsJNI
 
delete_ForwardSDMolSupplier(long) - Static method in class org.RDKit.RDKFuncsJNI
 
delete_FPHolderBase(long) - Static method in class org.RDKit.RDKFuncsJNI
 
delete_FragmenterBondType(long) - Static method in class org.RDKit.RDKFuncsJNI
 
delete_GenericRDKitException(long) - Static method in class org.RDKit.RDKFuncsJNI
 
delete_gzstream(long) - Static method in class org.RDKit.RDKFuncsJNI
 
delete_HeteroatomIterator(long) - Static method in class org.RDKit.RDKFuncsJNI
 
delete_IndexErrorException(long) - Static method in class org.RDKit.RDKFuncsJNI
 
delete_Int_Double_Map(long) - Static method in class org.RDKit.RDKFuncsJNI
 
delete_Int_Int_Map(long) - Static method in class org.RDKit.RDKFuncsJNI
 
delete_Int_Int_Vect_List_Map(long) - Static method in class org.RDKit.RDKFuncsJNI
 
delete_Int_Int_Vect_Map(long) - Static method in class org.RDKit.RDKFuncsJNI
 
delete_Int_List(long) - Static method in class org.RDKit.RDKFuncsJNI
 
delete_Int_Pair(long) - Static method in class org.RDKit.RDKFuncsJNI
 
delete_Int_Point2D_Map(long) - Static method in class org.RDKit.RDKFuncsJNI
 
delete_Int_Point3D_Map(long) - Static method in class org.RDKit.RDKFuncsJNI
 
delete_Int_String_Map(long) - Static method in class org.RDKit.RDKFuncsJNI
 
delete_Int_Vect(long) - Static method in class org.RDKit.RDKFuncsJNI
 
delete_Int_Vect_List(long) - Static method in class org.RDKit.RDKFuncsJNI
 
delete_Int_Vect_Vect(long) - Static method in class org.RDKit.RDKFuncsJNI
 
delete_IntMatrix(long) - Static method in class org.RDKit.RDKFuncsJNI
 
delete_IntSymmMatrix(long) - Static method in class org.RDKit.RDKFuncsJNI
 
delete_InversionContrib(long) - Static method in class org.RDKit.RDKFuncsJNI
 
delete_KekulizeException(long) - Static method in class org.RDKit.RDKFuncsJNI
 
delete_KeyErrorException(long) - Static method in class org.RDKit.RDKFuncsJNI
 
delete_Long_Pair(long) - Static method in class org.RDKit.RDKFuncsJNI
 
delete_Long_Pair_Vect(long) - Static method in class org.RDKit.RDKFuncsJNI
 
delete_ltDouble(long) - Static method in class org.RDKit.RDKFuncsJNI
 
delete_Match_Vect(long) - Static method in class org.RDKit.RDKFuncsJNI
 
delete_Match_Vect_Vect(long) - Static method in class org.RDKit.RDKFuncsJNI
 
delete_MCSAtomCompareParameters(long) - Static method in class org.RDKit.RDKFuncsJNI
 
delete_MCSBondCompareParameters(long) - Static method in class org.RDKit.RDKFuncsJNI
 
delete_MCSProgressData(long) - Static method in class org.RDKit.RDKFuncsJNI
 
delete_MCSResult(long) - Static method in class org.RDKit.RDKFuncsJNI
 
delete_MolDraw2D(long) - Static method in class org.RDKit.RDKFuncsJNI
 
delete_MolDraw2DSVG(long) - Static method in class org.RDKit.RDKFuncsJNI
 
delete_MolDrawOptions(long) - Static method in class org.RDKit.RDKFuncsJNI
 
delete_MolFileUnhandledFeatureException(long) - Static method in class org.RDKit.RDKFuncsJNI
 
delete_MolHolder(long) - Static method in class org.RDKit.RDKFuncsJNI
 
delete_MolHolderBase(long) - Static method in class org.RDKit.RDKFuncsJNI
 
delete_MolPicklerException(long) - Static method in class org.RDKit.RDKFuncsJNI
 
delete_MolSanitizeException(long) - Static method in class org.RDKit.RDKFuncsJNI
 
delete_MolSanitizeException_Vect(long) - Static method in class org.RDKit.RDKFuncsJNI
 
delete_MolStackElem(long) - Static method in class org.RDKit.RDKFuncsJNI
 
delete_MolStackUnion(long) - Static method in class org.RDKit.RDKFuncsJNI
 
delete_MolSupplier(long) - Static method in class org.RDKit.RDKFuncsJNI
 
delete_MolWriter(long) - Static method in class org.RDKit.RDKFuncsJNI
 
delete_ParamCollection(long) - Static method in class org.RDKit.RDKFuncsJNI
 
delete_PatternHolder(long) - Static method in class org.RDKit.RDKFuncsJNI
 
delete_PDBMolSupplier(long) - Static method in class org.RDKit.RDKFuncsJNI
 
delete_PDBWriter(long) - Static method in class org.RDKit.RDKFuncsJNI
 
delete_PeriodicTable(long) - Static method in class org.RDKit.RDKFuncsJNI
 
delete_Point(long) - Static method in class org.RDKit.RDKFuncsJNI
 
delete_Point2D(long) - Static method in class org.RDKit.RDKFuncsJNI
 
delete_Point2D_Vect(long) - Static method in class org.RDKit.RDKFuncsJNI
 
delete_Point3D(long) - Static method in class org.RDKit.RDKFuncsJNI
 
delete_Point3D_Vect(long) - Static method in class org.RDKit.RDKFuncsJNI
 
delete_Point_Vect(long) - Static method in class org.RDKit.RDKFuncsJNI
 
delete_PointND(long) - Static method in class org.RDKit.RDKFuncsJNI
 
delete_QueryAtom(long) - Static method in class org.RDKit.RDKFuncsJNI
 
delete_QueryAtomIterator(long) - Static method in class org.RDKit.RDKFuncsJNI
 
delete_QueryBond(long) - Static method in class org.RDKit.RDKFuncsJNI
 
delete_RDProps(long) - Static method in class org.RDKit.RDKFuncsJNI
 
delete_ReactionFingerprintParams(long) - Static method in class org.RDKit.RDKFuncsJNI
 
delete_RecursiveStructureQuery(long) - Static method in class org.RDKit.RDKFuncsJNI
 
delete_ResonanceMolSupplier(long) - Static method in class org.RDKit.RDKFuncsJNI
 
delete_RGroupDecomposition(long) - Static method in class org.RDKit.RDKFuncsJNI
 
delete_RGroupDecompositionParameters(long) - Static method in class org.RDKit.RDKFuncsJNI
 
delete_RingInfo(long) - Static method in class org.RDKit.RDKFuncsJNI
 
delete_ROMol(long) - Static method in class org.RDKit.RDKFuncsJNI
 
delete_ROMol_Vect(long) - Static method in class org.RDKit.RDKFuncsJNI
 
delete_ROMol_Vect_Vect(long) - Static method in class org.RDKit.RDKFuncsJNI
 
delete_RWMol(long) - Static method in class org.RDKit.RDKFuncsJNI
 
delete_SDMolSupplier(long) - Static method in class org.RDKit.RDKFuncsJNI
 
delete_SDWriter(long) - Static method in class org.RDKit.RDKFuncsJNI
 
delete_Shared_Double_Array(long) - Static method in class org.RDKit.RDKFuncsJNI
 
delete_Shared_Int_Array(long) - Static method in class org.RDKit.RDKFuncsJNI
 
delete_SmilesMolSupplier(long) - Static method in class org.RDKit.RDKFuncsJNI
 
delete_SmilesParseException(long) - Static method in class org.RDKit.RDKFuncsJNI
 
delete_SmilesParserParams(long) - Static method in class org.RDKit.RDKFuncsJNI
 
delete_SmilesWriter(long) - Static method in class org.RDKit.RDKFuncsJNI
 
delete_Snapshot(long) - Static method in class org.RDKit.RDKFuncsJNI
 
delete_SparseIntVect32(long) - Static method in class org.RDKit.RDKFuncsJNI
 
delete_SparseIntVect64(long) - Static method in class org.RDKit.RDKFuncsJNI
 
delete_SparseIntVectu32(long) - Static method in class org.RDKit.RDKFuncsJNI
 
delete_ss_matcher(long) - Static method in class org.RDKit.RDKFuncsJNI
 
delete_StereoGroup(long) - Static method in class org.RDKit.RDKFuncsJNI
 
delete_StereoGroup_Vect(long) - Static method in class org.RDKit.RDKFuncsJNI
 
delete_Str_Vect(long) - Static method in class org.RDKit.RDKFuncsJNI
 
delete_String_String_Map(long) - Static method in class org.RDKit.RDKFuncsJNI
 
delete_StringInt_Pair(long) - Static method in class org.RDKit.RDKFuncsJNI
 
delete_StringMolMap(long) - Static method in class org.RDKit.RDKFuncsJNI
 
delete_StringMolMap_Vect(long) - Static method in class org.RDKit.RDKFuncsJNI
 
delete_StringROMol_VectMap(long) - Static method in class org.RDKit.RDKFuncsJNI
 
delete_SubstructLibrary(long) - Static method in class org.RDKit.RDKFuncsJNI
 
delete_SubstructMatchParameters(long) - Static method in class org.RDKit.RDKFuncsJNI
 
delete_TDTMolSupplier(long) - Static method in class org.RDKit.RDKFuncsJNI
 
delete_TDTWriter(long) - Static method in class org.RDKit.RDKFuncsJNI
 
delete_TorsionAngleContrib(long) - Static method in class org.RDKit.RDKFuncsJNI
 
delete_Trajectory(long) - Static method in class org.RDKit.RDKFuncsJNI
 
delete_Transform2D(long) - Static method in class org.RDKit.RDKFuncsJNI
 
delete_Transform3D(long) - Static method in class org.RDKit.RDKFuncsJNI
 
delete_UChar_Vect(long) - Static method in class org.RDKit.RDKFuncsJNI
 
delete_UFFAngle(long) - Static method in class org.RDKit.RDKFuncsJNI
 
delete_UFFBond(long) - Static method in class org.RDKit.RDKFuncsJNI
 
delete_UFFInv(long) - Static method in class org.RDKit.RDKFuncsJNI
 
delete_UFFTor(long) - Static method in class org.RDKit.RDKFuncsJNI
 
delete_UFFVdW(long) - Static method in class org.RDKit.RDKFuncsJNI
 
delete_UInt_List(long) - Static method in class org.RDKit.RDKFuncsJNI
 
delete_UInt_Pair(long) - Static method in class org.RDKit.RDKFuncsJNI
 
delete_UInt_Pair_Vect(long) - Static method in class org.RDKit.RDKFuncsJNI
 
delete_UInt_Vect(long) - Static method in class org.RDKit.RDKFuncsJNI
 
delete_UIntMolMap(long) - Static method in class org.RDKit.RDKFuncsJNI
 
delete_UIntPair(long) - Static method in class org.RDKit.RDKFuncsJNI
 
delete_UIntPairVect(long) - Static method in class org.RDKit.RDKFuncsJNI
 
delete_ValueErrorException(long) - Static method in class org.RDKit.RDKFuncsJNI
 
delete_vdWContrib(long) - Static method in class org.RDKit.RDKFuncsJNI
 
deleteSubstructs(ROMol, ROMol, boolean, boolean) - Static method in class org.RDKit.RDKFuncs
 
deleteSubstructs(ROMol, ROMol, boolean) - Static method in class org.RDKit.RDKFuncs
 
deleteSubstructs(ROMol, ROMol) - Static method in class org.RDKit.RDKFuncs
 
deleteSubstructs(ROMol, boolean) - Method in class org.RDKit.ROMol
 
deleteSubstructs__SWIG_0(long, ROMol, long, ROMol, boolean, boolean) - Static method in class org.RDKit.RDKFuncsJNI
 
deleteSubstructs__SWIG_1(long, ROMol, long, ROMol, boolean) - Static method in class org.RDKit.RDKFuncsJNI
 
deleteSubstructs__SWIG_2(long, ROMol, long, ROMol) - Static method in class org.RDKit.RDKFuncsJNI
 
describeQuery(Atom) - Static method in class org.RDKit.RDKFuncs
 
describeQuery(Bond) - Static method in class org.RDKit.RDKFuncs
 
describeQuery__SWIG_0(long, Atom) - Static method in class org.RDKit.RDKFuncsJNI
 
describeQuery__SWIG_1(long, Bond) - Static method in class org.RDKit.RDKFuncsJNI
 
Deserialize(byte[]) - Static method in class org.RDKit.FilterCatalog
 
Deserialize(byte[]) - Static method in class org.RDKit.SubstructLibrary
 
DetectAtomStereoChemistry(Conformer) - Method in class org.RDKit.RWMol
 
detectBondStereochemistry(ROMol, int) - Static method in class org.RDKit.RDKFuncs
 
detectBondStereochemistry(ROMol) - Static method in class org.RDKit.RDKFuncs
 
DetectBondStereoChemistry(Conformer) - Method in class org.RDKit.ROMol
 
detectBondStereochemistry__SWIG_0(long, ROMol, int) - Static method in class org.RDKit.RDKFuncsJNI
 
detectBondStereochemistry__SWIG_1(long, ROMol) - Static method in class org.RDKit.RDKFuncsJNI
 
detectChemistryProblems(ROMol, int) - Static method in class org.RDKit.RDKFuncs
 
detectChemistryProblems(ROMol) - Static method in class org.RDKit.RDKFuncs
 
detectChemistryProblems__SWIG_0(long, ROMol, int) - Static method in class org.RDKit.RDKFuncsJNI
 
detectChemistryProblems__SWIG_1(long, ROMol) - Static method in class org.RDKit.RDKFuncsJNI
 
DetermineBondWedgeState(Int_Int_Map, Conformer) - Method in class org.RDKit.Bond
 
DiceSimilarity(ExplicitBitVect, ExplicitBitVect) - Static method in class org.RDKit.RDKFuncs
 
DiceSimilarity(SparseIntVectu32, SparseIntVectu32, boolean, double) - Static method in class org.RDKit.RDKFuncs
 
DiceSimilarity(SparseIntVectu32, SparseIntVectu32, boolean) - Static method in class org.RDKit.RDKFuncs
 
DiceSimilarity(SparseIntVectu32, SparseIntVectu32) - Static method in class org.RDKit.RDKFuncs
 
DiceSimilarity(SparseIntVect32, SparseIntVect32, boolean, double) - Static method in class org.RDKit.RDKFuncs
 
DiceSimilarity(SparseIntVect32, SparseIntVect32, boolean) - Static method in class org.RDKit.RDKFuncs
 
DiceSimilarity(SparseIntVect32, SparseIntVect32) - Static method in class org.RDKit.RDKFuncs
 
DiceSimilarity(SparseIntVect64, SparseIntVect64, boolean, double) - Static method in class org.RDKit.RDKFuncs
 
DiceSimilarity(SparseIntVect64, SparseIntVect64, boolean) - Static method in class org.RDKit.RDKFuncs
 
DiceSimilarity(SparseIntVect64, SparseIntVect64) - Static method in class org.RDKit.RDKFuncs
 
DiceSimilarity(long, ExplicitBitVect, long, ExplicitBitVect) - Static method in class org.RDKit.RDKFuncsJNI
 
DiceSimilarity__SWIG_10(long, SparseIntVect64, long, SparseIntVect64, boolean) - Static method in class org.RDKit.RDKFuncsJNI
 
DiceSimilarity__SWIG_11(long, SparseIntVect64, long, SparseIntVect64) - Static method in class org.RDKit.RDKFuncsJNI
 
DiceSimilarity__SWIG_3(long, SparseIntVectu32, long, SparseIntVectu32, boolean, double) - Static method in class org.RDKit.RDKFuncsJNI
 
DiceSimilarity__SWIG_4(long, SparseIntVectu32, long, SparseIntVectu32, boolean) - Static method in class org.RDKit.RDKFuncsJNI
 
DiceSimilarity__SWIG_5(long, SparseIntVectu32, long, SparseIntVectu32) - Static method in class org.RDKit.RDKFuncsJNI
 
DiceSimilarity__SWIG_6(long, SparseIntVect32, long, SparseIntVect32, boolean, double) - Static method in class org.RDKit.RDKFuncsJNI
 
DiceSimilarity__SWIG_7(long, SparseIntVect32, long, SparseIntVect32, boolean) - Static method in class org.RDKit.RDKFuncsJNI
 
DiceSimilarity__SWIG_8(long, SparseIntVect32, long, SparseIntVect32) - Static method in class org.RDKit.RDKFuncsJNI
 
DiceSimilarity__SWIG_9(long, SparseIntVect64, long, SparseIntVect64, boolean, double) - Static method in class org.RDKit.RDKFuncsJNI
 
Dict - Class in org.RDKit
 
Dict(long, boolean) - Constructor for class org.RDKit.Dict
 
Dict() - Constructor for class org.RDKit.Dict
 
Dict(Dict) - Constructor for class org.RDKit.Dict
 
Dict_clearVal(long, Dict, String) - Static method in class org.RDKit.RDKFuncsJNI
 
Dict_getData__SWIG_0(long, Dict) - Static method in class org.RDKit.RDKFuncsJNI
 
Dict_getNonPODStatus(long, Dict) - Static method in class org.RDKit.RDKFuncsJNI
 
Dict_getVal(long, Dict, String, long) - Static method in class org.RDKit.RDKFuncsJNI
 
Dict_getValIfPresent(long, Dict, String, long) - Static method in class org.RDKit.RDKFuncsJNI
 
Dict_hasVal(long, Dict, String) - Static method in class org.RDKit.RDKFuncsJNI
 
Dict_keys(long, Dict) - Static method in class org.RDKit.RDKFuncsJNI
 
Dict_reset(long, Dict) - Static method in class org.RDKit.RDKFuncsJNI
 
Dict_setVal__SWIG_1(long, Dict, String, boolean) - Static method in class org.RDKit.RDKFuncsJNI
 
Dict_setVal__SWIG_2(long, Dict, String, double) - Static method in class org.RDKit.RDKFuncsJNI
 
Dict_setVal__SWIG_3(long, Dict, String, float) - Static method in class org.RDKit.RDKFuncsJNI
 
Dict_setVal__SWIG_4(long, Dict, String, int) - Static method in class org.RDKit.RDKFuncsJNI
 
Dict_setVal__SWIG_5(long, Dict, String, long) - Static method in class org.RDKit.RDKFuncsJNI
 
Dict_setVal__SWIG_6(long, Dict, String, String) - Static method in class org.RDKit.RDKFuncsJNI
 
Dict_update__SWIG_0(long, Dict, long, Dict, boolean) - Static method in class org.RDKit.RDKFuncsJNI
 
Dict_update__SWIG_1(long, Dict, long, Dict) - Static method in class org.RDKit.RDKFuncsJNI
 
DifferenceFingerprintChemReaction(ChemicalReaction, ReactionFingerprintParams) - Static method in class org.RDKit.RDKFuncs
 
DifferenceFingerprintChemReaction(ChemicalReaction) - Static method in class org.RDKit.RDKFuncs
 
DifferenceFingerprintChemReaction__SWIG_0(long, ChemicalReaction, long, ReactionFingerprintParams) - Static method in class org.RDKit.RDKFuncsJNI
 
DifferenceFingerprintChemReaction__SWIG_1(long, ChemicalReaction) - Static method in class org.RDKit.RDKFuncsJNI
 
DIM_2D_get() - Static method in class org.RDKit.RDKFuncsJNI
 
DIM_3D_get() - Static method in class org.RDKit.RDKFuncsJNI
 
dimension() - Method in class org.RDKit.ForceField
 
dimension() - Method in class org.RDKit.Point
 
dimension() - Method in class org.RDKit.Point2D
 
dimension() - Method in class org.RDKit.Point3D
 
dimension() - Method in class org.RDKit.PointND
 
dimension() - Method in class org.RDKit.Trajectory
 
directionVector(Point2D) - Method in class org.RDKit.Point2D
 
directionVector(Point3D) - Method in class org.RDKit.Point3D
directionVector(PointND) - Method in class org.RDKit.PointND
 
Discrims_get() - Static method in class org.RDKit.RDKFuncsJNI
 
distance(long, long, SWIGTYPE_p_double) - Method in class org.RDKit.ForceField
 
distance(long, long) - Method in class org.RDKit.ForceField
 
DistanceConstraintContrib - Class in org.RDKit
 
DistanceConstraintContrib(long, boolean) - Constructor for class org.RDKit.DistanceConstraintContrib
 
DistanceConstraintContrib() - Constructor for class org.RDKit.DistanceConstraintContrib
 
DistanceConstraintContrib(ForceField, long, long, double, double, double) - Constructor for class org.RDKit.DistanceConstraintContrib
 
DistanceConstraintContrib(ForceField, long, long, boolean, double, double, double) - Constructor for class org.RDKit.DistanceConstraintContrib
 
DistanceConstraintContrib_copy(long, DistanceConstraintContrib) - Static method in class org.RDKit.RDKFuncsJNI
 
DistanceConstraintContrib_getEnergy(long, DistanceConstraintContrib, long) - Static method in class org.RDKit.RDKFuncsJNI
 
DistanceConstraintContrib_getGrad(long, DistanceConstraintContrib, long, long) - Static method in class org.RDKit.RDKFuncsJNI
 
DistanceConstraintContrib_SWIGSmartPtrUpcast(long) - Static method in class org.RDKit.RDKFuncsJNI
 
DistanceGeom - Class in org.RDKit
 
DistanceGeom(long, boolean) - Constructor for class org.RDKit.DistanceGeom
 
DistanceGeom() - Constructor for class org.RDKit.DistanceGeom
 
DistanceGeom_ComputeInitialCoords__SWIG_0(long, DoubleSymmMatrix, long, Point3D_Vect, boolean, long) - Static method in class org.RDKit.RDKFuncsJNI
 
DistanceGeom_ComputeInitialCoords__SWIG_1(long, DoubleSymmMatrix, long, Point3D_Vect, boolean) - Static method in class org.RDKit.RDKFuncsJNI
 
DistanceGeom_ComputeInitialCoords__SWIG_2(long, DoubleSymmMatrix, long, Point3D_Vect) - Static method in class org.RDKit.RDKFuncsJNI
 
DistanceGeom_ConstructForceField__SWIG_0(long, BoundsMatrix, long, Point_Vect, long, double, double, long, double) - Static method in class org.RDKit.RDKFuncsJNI
 
DistanceGeom_ConstructForceField__SWIG_1(long, BoundsMatrix, long, Point_Vect, long, double, double, long) - Static method in class org.RDKit.RDKFuncsJNI
 
DistanceGeom_ConstructForceField__SWIG_2(long, BoundsMatrix, long, Point_Vect, long, double, double) - Static method in class org.RDKit.RDKFuncsJNI
 
DistanceGeom_ConstructForceField__SWIG_3(long, BoundsMatrix, long, Point_Vect, long, double) - Static method in class org.RDKit.RDKFuncsJNI
 
DistanceGeom_ConstructForceField__SWIG_4(long, BoundsMatrix, long, Point_Vect, long) - Static method in class org.RDKit.RDKFuncsJNI
 
DistanceGeom_EmbedMolecule__SWIG_0(long, ROMol, long, int, boolean, boolean, double, boolean, long, long, Int_Point3D_Map, double, boolean, boolean, boolean, boolean, boolean, double) - Static method in class org.RDKit.RDKFuncsJNI
 
DistanceGeom_EmbedMolecule__SWIG_1(long, ROMol, long, int, boolean, boolean, double, boolean, long, long, Int_Point3D_Map, double, boolean, boolean, boolean, boolean, boolean) - Static method in class org.RDKit.RDKFuncsJNI
 
DistanceGeom_EmbedMolecule__SWIG_10(long, ROMol, long, int, boolean, boolean, double) - Static method in class org.RDKit.RDKFuncsJNI
 
DistanceGeom_EmbedMolecule__SWIG_11(long, ROMol, long, int, boolean, boolean) - Static method in class org.RDKit.RDKFuncsJNI
 
DistanceGeom_EmbedMolecule__SWIG_12(long, ROMol, long, int, boolean) - Static method in class org.RDKit.RDKFuncsJNI
 
DistanceGeom_EmbedMolecule__SWIG_13(long, ROMol, long, int) - Static method in class org.RDKit.RDKFuncsJNI
 
DistanceGeom_EmbedMolecule__SWIG_14(long, ROMol, long) - Static method in class org.RDKit.RDKFuncsJNI
 
DistanceGeom_EmbedMolecule__SWIG_15(long, ROMol) - Static method in class org.RDKit.RDKFuncsJNI
 
DistanceGeom_EmbedMolecule__SWIG_16(long, ROMol, long, EmbedParameters) - Static method in class org.RDKit.RDKFuncsJNI
 
DistanceGeom_EmbedMolecule__SWIG_2(long, ROMol, long, int, boolean, boolean, double, boolean, long, long, Int_Point3D_Map, double, boolean, boolean, boolean, boolean) - Static method in class org.RDKit.RDKFuncsJNI
 
DistanceGeom_EmbedMolecule__SWIG_3(long, ROMol, long, int, boolean, boolean, double, boolean, long, long, Int_Point3D_Map, double, boolean, boolean, boolean) - Static method in class org.RDKit.RDKFuncsJNI
 
DistanceGeom_EmbedMolecule__SWIG_4(long, ROMol, long, int, boolean, boolean, double, boolean, long, long, Int_Point3D_Map, double, boolean, boolean) - Static method in class org.RDKit.RDKFuncsJNI
 
DistanceGeom_EmbedMolecule__SWIG_5(long, ROMol, long, int, boolean, boolean, double, boolean, long, long, Int_Point3D_Map, double, boolean) - Static method in class org.RDKit.RDKFuncsJNI
 
DistanceGeom_EmbedMolecule__SWIG_6(long, ROMol, long, int, boolean, boolean, double, boolean, long, long, Int_Point3D_Map, double) - Static method in class org.RDKit.RDKFuncsJNI
 
DistanceGeom_EmbedMolecule__SWIG_7(long, ROMol, long, int, boolean, boolean, double, boolean, long, long, Int_Point3D_Map) - Static method in class org.RDKit.RDKFuncsJNI
 
DistanceGeom_EmbedMolecule__SWIG_8(long, ROMol, long, int, boolean, boolean, double, boolean, long) - Static method in class org.RDKit.RDKFuncsJNI
 
DistanceGeom_EmbedMolecule__SWIG_9(long, ROMol, long, int, boolean, boolean, double, boolean) - Static method in class org.RDKit.RDKFuncsJNI
 
DistanceGeom_EmbedMultipleConfs__SWIG_0(long, ROMol, long, long, int, boolean, boolean, double, boolean, long, double, long, Int_Point3D_Map, double, boolean, boolean, boolean, boolean, boolean, double) - Static method in class org.RDKit.RDKFuncsJNI
 
DistanceGeom_EmbedMultipleConfs__SWIG_1(long, ROMol, long, long, int, boolean, boolean, double, boolean, long, double, long, Int_Point3D_Map, double, boolean, boolean, boolean, boolean, boolean) - Static method in class org.RDKit.RDKFuncsJNI
 
DistanceGeom_EmbedMultipleConfs__SWIG_10(long, ROMol, long, long, int, boolean, boolean, double, boolean) - Static method in class org.RDKit.RDKFuncsJNI
 
DistanceGeom_EmbedMultipleConfs__SWIG_11(long, ROMol, long, long, int, boolean, boolean, double) - Static method in class org.RDKit.RDKFuncsJNI
 
DistanceGeom_EmbedMultipleConfs__SWIG_12(long, ROMol, long, long, int, boolean, boolean) - Static method in class org.RDKit.RDKFuncsJNI
 
DistanceGeom_EmbedMultipleConfs__SWIG_13(long, ROMol, long, long, int, boolean) - Static method in class org.RDKit.RDKFuncsJNI
 
DistanceGeom_EmbedMultipleConfs__SWIG_14(long, ROMol, long, long, int) - Static method in class org.RDKit.RDKFuncsJNI
 
DistanceGeom_EmbedMultipleConfs__SWIG_15(long, ROMol, long, long) - Static method in class org.RDKit.RDKFuncsJNI
 
DistanceGeom_EmbedMultipleConfs__SWIG_16(long, ROMol, long) - Static method in class org.RDKit.RDKFuncsJNI
 
DistanceGeom_EmbedMultipleConfs__SWIG_17(long, ROMol) - Static method in class org.RDKit.RDKFuncsJNI
 
DistanceGeom_EmbedMultipleConfs__SWIG_18(long, ROMol, long, long, EmbedParameters) - Static method in class org.RDKit.RDKFuncsJNI
 
DistanceGeom_EmbedMultipleConfs__SWIG_2(long, ROMol, long, long, int, boolean, boolean, double, boolean, long, double, long, Int_Point3D_Map, double, boolean, boolean, boolean, boolean) - Static method in class org.RDKit.RDKFuncsJNI
 
DistanceGeom_EmbedMultipleConfs__SWIG_3(long, ROMol, long, long, int, boolean, boolean, double, boolean, long, double, long, Int_Point3D_Map, double, boolean, boolean, boolean) - Static method in class org.RDKit.RDKFuncsJNI
 
DistanceGeom_EmbedMultipleConfs__SWIG_4(long, ROMol, long, long, int, boolean, boolean, double, boolean, long, double, long, Int_Point3D_Map, double, boolean, boolean) - Static method in class org.RDKit.RDKFuncsJNI
 
DistanceGeom_EmbedMultipleConfs__SWIG_5(long, ROMol, long, long, int, boolean, boolean, double, boolean, long, double, long, Int_Point3D_Map, double, boolean) - Static method in class org.RDKit.RDKFuncsJNI
 
DistanceGeom_EmbedMultipleConfs__SWIG_6(long, ROMol, long, long, int, boolean, boolean, double, boolean, long, double, long, Int_Point3D_Map, double) - Static method in class org.RDKit.RDKFuncsJNI
 
DistanceGeom_EmbedMultipleConfs__SWIG_7(long, ROMol, long, long, int, boolean, boolean, double, boolean, long, double, long, Int_Point3D_Map) - Static method in class org.RDKit.RDKFuncsJNI
 
DistanceGeom_EmbedMultipleConfs__SWIG_8(long, ROMol, long, long, int, boolean, boolean, double, boolean, long, double) - Static method in class org.RDKit.RDKFuncsJNI
 
DistanceGeom_EmbedMultipleConfs__SWIG_9(long, ROMol, long, long, int, boolean, boolean, double, boolean, long) - Static method in class org.RDKit.RDKFuncsJNI
 
DistanceGeom_SetTopolBounds__SWIG_0(long, ROMol, long, BoundsMatrix, boolean, boolean) - Static method in class org.RDKit.RDKFuncsJNI
 
DistanceGeom_SetTopolBounds__SWIG_1(long, ROMol, long, BoundsMatrix, boolean) - Static method in class org.RDKit.RDKFuncsJNI
 
DistanceGeom_SetTopolBounds__SWIG_2(long, ROMol, long, BoundsMatrix) - Static method in class org.RDKit.RDKFuncsJNI
 
DistanceMatrix_Paths_get() - Static method in class org.RDKit.RDKFuncsJNI
 
dotProduct(Point2D) - Method in class org.RDKit.Point2D
 
dotProduct(Point3D) - Method in class org.RDKit.Point3D
 
dotProduct(PointND) - Method in class org.RDKit.PointND
 
Double_Array - Class in org.RDKit
 
Double_Array(long, boolean) - Constructor for class org.RDKit.Double_Array
 
Double_Array(int) - Constructor for class org.RDKit.Double_Array
 
Double_Array_cast(long, Double_Array) - Static method in class org.RDKit.RDKFuncsJNI
 
Double_Array_frompointer(long) - Static method in class org.RDKit.RDKFuncsJNI
 
Double_Array_getitem(long, Double_Array, int) - Static method in class org.RDKit.RDKFuncsJNI
 
Double_Array_setitem(long, Double_Array, int, double) - Static method in class org.RDKit.RDKFuncsJNI
 
Double_Pair - Class in org.RDKit
 
Double_Pair(long, boolean) - Constructor for class org.RDKit.Double_Pair
 
Double_Pair() - Constructor for class org.RDKit.Double_Pair
 
Double_Pair(double, double) - Constructor for class org.RDKit.Double_Pair
 
Double_Pair(Double_Pair) - Constructor for class org.RDKit.Double_Pair
 
Double_Pair_first_get(long, Double_Pair) - Static method in class org.RDKit.RDKFuncsJNI
 
Double_Pair_first_set(long, Double_Pair, double) - Static method in class org.RDKit.RDKFuncsJNI
 
Double_Pair_second_get(long, Double_Pair) - Static method in class org.RDKit.RDKFuncsJNI
 
Double_Pair_second_set(long, Double_Pair, double) - Static method in class org.RDKit.RDKFuncsJNI
 
Double_Vect - Class in org.RDKit
 
Double_Vect(long, boolean) - Constructor for class org.RDKit.Double_Vect
 
Double_Vect() - Constructor for class org.RDKit.Double_Vect
 
Double_Vect(long) - Constructor for class org.RDKit.Double_Vect
 
Double_Vect_add(long, Double_Vect, double) - Static method in class org.RDKit.RDKFuncsJNI
 
Double_Vect_capacity(long, Double_Vect) - Static method in class org.RDKit.RDKFuncsJNI
 
Double_Vect_clear(long, Double_Vect) - Static method in class org.RDKit.RDKFuncsJNI
 
Double_Vect_equals(long, Double_Vect, long, Double_Vect) - Static method in class org.RDKit.RDKFuncsJNI
 
Double_Vect_get(long, Double_Vect, int) - Static method in class org.RDKit.RDKFuncsJNI
 
Double_Vect_isEmpty(long, Double_Vect) - Static method in class org.RDKit.RDKFuncsJNI
 
Double_Vect_reserve(long, Double_Vect, long) - Static method in class org.RDKit.RDKFuncsJNI
 
Double_Vect_set(long, Double_Vect, int, double) - Static method in class org.RDKit.RDKFuncsJNI
 
Double_Vect_size(long, Double_Vect) - Static method in class org.RDKit.RDKFuncsJNI
 
DoubleMatrix - Class in org.RDKit
 
DoubleMatrix(long, boolean) - Constructor for class org.RDKit.DoubleMatrix
 
DoubleMatrix(long, long) - Constructor for class org.RDKit.DoubleMatrix
 
DoubleMatrix(long, long, double) - Constructor for class org.RDKit.DoubleMatrix
 
DoubleMatrix(long, long, Shared_Double_Array) - Constructor for class org.RDKit.DoubleMatrix
 
DoubleMatrix(DoubleMatrix) - Constructor for class org.RDKit.DoubleMatrix
 
DoubleMatrix_assign(long, DoubleMatrix, long, DoubleMatrix) - Static method in class org.RDKit.RDKFuncsJNI
 
DoubleMatrix_getCol(long, DoubleMatrix, long, long) - Static method in class org.RDKit.RDKFuncsJNI
 
DoubleMatrix_getData__SWIG_0(long, DoubleMatrix) - Static method in class org.RDKit.RDKFuncsJNI
 
DoubleMatrix_getDataSize(long, DoubleMatrix) - Static method in class org.RDKit.RDKFuncsJNI
 
DoubleMatrix_getRow(long, DoubleMatrix, long, long) - Static method in class org.RDKit.RDKFuncsJNI
 
DoubleMatrix_getVal(long, DoubleMatrix, long, long) - Static method in class org.RDKit.RDKFuncsJNI
 
DoubleMatrix_numCols(long, DoubleMatrix) - Static method in class org.RDKit.RDKFuncsJNI
 
DoubleMatrix_numRows(long, DoubleMatrix) - Static method in class org.RDKit.RDKFuncsJNI
 
DoubleMatrix_setVal(long, DoubleMatrix, long, long, double) - Static method in class org.RDKit.RDKFuncsJNI
 
DoubleMatrix_transpose(long, DoubleMatrix, long, DoubleMatrix) - Static method in class org.RDKit.RDKFuncsJNI
 
DoubleSquareMatrix - Class in org.RDKit
 
DoubleSquareMatrix(long, boolean) - Constructor for class org.RDKit.DoubleSquareMatrix
 
DoubleSquareMatrix() - Constructor for class org.RDKit.DoubleSquareMatrix
 
DoubleSquareMatrix(long) - Constructor for class org.RDKit.DoubleSquareMatrix
 
DoubleSquareMatrix(long, double) - Constructor for class org.RDKit.DoubleSquareMatrix
 
DoubleSquareMatrix(long, Shared_Double_Array) - Constructor for class org.RDKit.DoubleSquareMatrix
 
DoubleSquareMatrix_SWIGUpcast(long) - Static method in class org.RDKit.RDKFuncsJNI
 
DoubleSquareMatrix_transposeInplace(long, DoubleSquareMatrix) - Static method in class org.RDKit.RDKFuncsJNI
 
DoubleSymmMatrix - Class in org.RDKit
 
DoubleSymmMatrix(long, boolean) - Constructor for class org.RDKit.DoubleSymmMatrix
 
DoubleSymmMatrix(long) - Constructor for class org.RDKit.DoubleSymmMatrix
 
DoubleSymmMatrix(long, double) - Constructor for class org.RDKit.DoubleSymmMatrix
 
DoubleSymmMatrix(long, Shared_Double_Array) - Constructor for class org.RDKit.DoubleSymmMatrix
 
DoubleSymmMatrix(DoubleSymmMatrix) - Constructor for class org.RDKit.DoubleSymmMatrix
 
DoubleSymmMatrix_getCol(long, DoubleSymmMatrix, long, long) - Static method in class org.RDKit.RDKFuncsJNI
 
DoubleSymmMatrix_getData__SWIG_0(long, DoubleSymmMatrix) - Static method in class org.RDKit.RDKFuncsJNI
 
DoubleSymmMatrix_getDataSize(long, DoubleSymmMatrix) - Static method in class org.RDKit.RDKFuncsJNI
 
DoubleSymmMatrix_getRow(long, DoubleSymmMatrix, long, long) - Static method in class org.RDKit.RDKFuncsJNI
 
DoubleSymmMatrix_getVal(long, DoubleSymmMatrix, long, long) - Static method in class org.RDKit.RDKFuncsJNI
 
DoubleSymmMatrix_numCols(long, DoubleSymmMatrix) - Static method in class org.RDKit.RDKFuncsJNI
 
DoubleSymmMatrix_numRows(long, DoubleSymmMatrix) - Static method in class org.RDKit.RDKFuncsJNI
 
DoubleSymmMatrix_setToIdentity(long, DoubleSymmMatrix) - Static method in class org.RDKit.RDKFuncsJNI
 
DoubleSymmMatrix_setVal(long, DoubleSymmMatrix, long, long, double) - Static method in class org.RDKit.RDKFuncsJNI
 
DoubleSymmMatrix_transpose(long, DoubleSymmMatrix, long, DoubleSymmMatrix) - Static method in class org.RDKit.RDKFuncsJNI
 
DoubleSymmMatrix_transposeInplace(long, DoubleSymmMatrix) - Static method in class org.RDKit.RDKFuncsJNI
 
drawArrow(Point2D, Point2D, boolean, double, double) - Method in class org.RDKit.MolDraw2D
 
drawArrow(Point2D, Point2D, boolean, double) - Method in class org.RDKit.MolDraw2D
 
drawArrow(Point2D, Point2D, boolean) - Method in class org.RDKit.MolDraw2D
 
drawArrow(Point2D, Point2D) - Method in class org.RDKit.MolDraw2D
 
drawAttachmentLine(Point2D, Point2D, DrawColour, double, long) - Method in class org.RDKit.MolDraw2D
 
drawAttachmentLine(Point2D, Point2D, DrawColour, double) - Method in class org.RDKit.MolDraw2D
 
drawAttachmentLine(Point2D, Point2D, DrawColour) - Method in class org.RDKit.MolDraw2D
 
DrawColour - Class in org.RDKit
 
DrawColour(long, boolean) - Constructor for class org.RDKit.DrawColour
 
DrawColour() - Constructor for class org.RDKit.DrawColour
 
DrawColour(double, double, double, double) - Constructor for class org.RDKit.DrawColour
 
DrawColour(double, double, double) - Constructor for class org.RDKit.DrawColour
 
DrawColour_a_get(long, DrawColour) - Static method in class org.RDKit.RDKFuncsJNI
 
DrawColour_a_set(long, DrawColour, double) - Static method in class org.RDKit.RDKFuncsJNI
 
DrawColour_b_get(long, DrawColour) - Static method in class org.RDKit.RDKFuncsJNI
 
DrawColour_b_set(long, DrawColour, double) - Static method in class org.RDKit.RDKFuncsJNI
 
DrawColour_feq__SWIG_0(long, DrawColour, long, DrawColour, double, boolean) - Static method in class org.RDKit.RDKFuncsJNI
 
DrawColour_feq__SWIG_1(long, DrawColour, long, DrawColour, double) - Static method in class org.RDKit.RDKFuncsJNI
 
DrawColour_feq__SWIG_2(long, DrawColour, long, DrawColour) - Static method in class org.RDKit.RDKFuncsJNI
 
DrawColour_g_get(long, DrawColour) - Static method in class org.RDKit.RDKFuncsJNI
 
DrawColour_g_set(long, DrawColour, double) - Static method in class org.RDKit.RDKFuncsJNI
 
DrawColour_r_get(long, DrawColour) - Static method in class org.RDKit.RDKFuncsJNI
 
DrawColour_r_set(long, DrawColour, double) - Static method in class org.RDKit.RDKFuncsJNI
 
drawEllipse(Point2D, Point2D) - Method in class org.RDKit.MolDraw2D
 
drawEllipse(Point2D, Point2D) - Method in class org.RDKit.MolDraw2DSVG
 
drawLine(Point2D, Point2D) - Method in class org.RDKit.MolDraw2D
 
drawLine(Point2D, Point2D) - Method in class org.RDKit.MolDraw2DSVG
 
drawMolecule(ROMol, String, Int_Vect, Int_Vect, ColourPalette, ColourPalette, Int_Double_Map, int) - Method in class org.RDKit.MolDraw2D
 
drawMolecule(ROMol, String, Int_Vect, Int_Vect, ColourPalette, ColourPalette, Int_Double_Map) - Method in class org.RDKit.MolDraw2D
 
drawMolecule(ROMol, String, Int_Vect, Int_Vect, ColourPalette, ColourPalette) - Method in class org.RDKit.MolDraw2D
 
drawMolecule(ROMol, String, Int_Vect, Int_Vect, ColourPalette) - Method in class org.RDKit.MolDraw2D
 
drawMolecule(ROMol, String, Int_Vect, Int_Vect) - Method in class org.RDKit.MolDraw2D
 
drawMolecule(ROMol, Int_Vect, ColourPalette, Int_Double_Map, int) - Method in class org.RDKit.MolDraw2D
 
drawMolecule(ROMol, Int_Vect, ColourPalette, Int_Double_Map) - Method in class org.RDKit.MolDraw2D
 
drawMolecule(ROMol, Int_Vect, ColourPalette) - Method in class org.RDKit.MolDraw2D
 
drawMolecule(ROMol, Int_Vect) - Method in class org.RDKit.MolDraw2D
 
drawMolecule(ROMol) - Method in class org.RDKit.MolDraw2D
 
drawMolecule(ROMol, String, Int_Vect, ColourPalette, Int_Double_Map, int) - Method in class org.RDKit.MolDraw2D
 
drawMolecule(ROMol, String, Int_Vect, ColourPalette, Int_Double_Map) - Method in class org.RDKit.MolDraw2D
 
drawMolecule(ROMol, String, Int_Vect, ColourPalette) - Method in class org.RDKit.MolDraw2D
 
drawMolecule(ROMol, String, Int_Vect) - Method in class org.RDKit.MolDraw2D
 
drawMolecule(ROMol, String) - Method in class org.RDKit.MolDraw2D
 
drawMolecule(ROMol, Int_Vect, Int_Vect, ColourPalette, ColourPalette, Int_Double_Map, int) - Method in class org.RDKit.MolDraw2D
 
drawMolecule(ROMol, Int_Vect, Int_Vect, ColourPalette, ColourPalette, Int_Double_Map) - Method in class org.RDKit.MolDraw2D
 
drawMolecule(ROMol, Int_Vect, Int_Vect, ColourPalette, ColourPalette) - Method in class org.RDKit.MolDraw2D
 
drawMolecule(ROMol, Int_Vect, Int_Vect, ColourPalette) - Method in class org.RDKit.MolDraw2D
 
drawMolecule(ROMol, Int_Vect, Int_Vect) - Method in class org.RDKit.MolDraw2D
 
drawMolecules(SWIGTYPE_p_std__vectorT_RDKit__ROMol_p_t, Str_Vect, Int_Vect_Vect, Int_Vect_Vect, SWIGTYPE_p_std__vectorT_std__mapT_int_RDKit__DrawColour_t_t, SWIGTYPE_p_std__vectorT_std__mapT_int_RDKit__DrawColour_t_t, SWIGTYPE_p_std__vectorT_std__mapT_int_double_t_t, Int_Vect) - Method in class org.RDKit.MolDraw2D
 
drawMolecules(SWIGTYPE_p_std__vectorT_RDKit__ROMol_p_t, Str_Vect, Int_Vect_Vect, Int_Vect_Vect, SWIGTYPE_p_std__vectorT_std__mapT_int_RDKit__DrawColour_t_t, SWIGTYPE_p_std__vectorT_std__mapT_int_RDKit__DrawColour_t_t, SWIGTYPE_p_std__vectorT_std__mapT_int_double_t_t) - Method in class org.RDKit.MolDraw2D
 
drawMolecules(SWIGTYPE_p_std__vectorT_RDKit__ROMol_p_t, Str_Vect, Int_Vect_Vect, Int_Vect_Vect, SWIGTYPE_p_std__vectorT_std__mapT_int_RDKit__DrawColour_t_t, SWIGTYPE_p_std__vectorT_std__mapT_int_RDKit__DrawColour_t_t) - Method in class org.RDKit.MolDraw2D
 
drawMolecules(SWIGTYPE_p_std__vectorT_RDKit__ROMol_p_t, Str_Vect, Int_Vect_Vect, Int_Vect_Vect, SWIGTYPE_p_std__vectorT_std__mapT_int_RDKit__DrawColour_t_t) - Method in class org.RDKit.MolDraw2D
 
drawMolecules(SWIGTYPE_p_std__vectorT_RDKit__ROMol_p_t, Str_Vect, Int_Vect_Vect, Int_Vect_Vect) - Method in class org.RDKit.MolDraw2D
 
drawMolecules(SWIGTYPE_p_std__vectorT_RDKit__ROMol_p_t, Str_Vect, Int_Vect_Vect) - Method in class org.RDKit.MolDraw2D
 
drawMolecules(SWIGTYPE_p_std__vectorT_RDKit__ROMol_p_t, Str_Vect) - Method in class org.RDKit.MolDraw2D
 
drawMolecules(SWIGTYPE_p_std__vectorT_RDKit__ROMol_p_t) - Method in class org.RDKit.MolDraw2D
 
drawOptions() - Method in class org.RDKit.MolDraw2D
 
drawPolygon(SWIGTYPE_p_std__vectorT_RDGeom__Point2D_t) - Method in class org.RDKit.MolDraw2D
 
drawPolygon(SWIGTYPE_p_std__vectorT_RDGeom__Point2D_t) - Method in class org.RDKit.MolDraw2DSVG
 
drawReaction(ChemicalReaction, boolean, SWIGTYPE_p_std__vectorT_RDKit__DrawColour_t, Int_Vect) - Method in class org.RDKit.MolDraw2D
 
drawReaction(ChemicalReaction, boolean, SWIGTYPE_p_std__vectorT_RDKit__DrawColour_t) - Method in class org.RDKit.MolDraw2D
 
drawReaction(ChemicalReaction, boolean) - Method in class org.RDKit.MolDraw2D
 
drawReaction(ChemicalReaction) - Method in class org.RDKit.MolDraw2D
 
drawRect(Point2D, Point2D) - Method in class org.RDKit.MolDraw2D
 
drawString(String, Point2D) - Method in class org.RDKit.MolDraw2D
 
drawString(String, Point2D) - Method in class org.RDKit.MolDraw2DSVG
 
drawTriangle(Point2D, Point2D, Point2D) - Method in class org.RDKit.MolDraw2D
 
drawWavyLine(Point2D, Point2D, DrawColour, DrawColour, long, double) - Method in class org.RDKit.MolDraw2D
 
drawWavyLine(Point2D, Point2D, DrawColour, DrawColour, long) - Method in class org.RDKit.MolDraw2D
 
drawWavyLine(Point2D, Point2D, DrawColour, DrawColour) - Method in class org.RDKit.MolDraw2D
 
drawWavyLine(Point2D, Point2D, DrawColour, DrawColour, long, double) - Method in class org.RDKit.MolDraw2DSVG
 
drawWavyLine(Point2D, Point2D, DrawColour, DrawColour, long) - Method in class org.RDKit.MolDraw2DSVG
 
drawWavyLine(Point2D, Point2D, DrawColour, DrawColour) - Method in class org.RDKit.MolDraw2DSVG
 
DummyAtomLabels_get() - Static method in class org.RDKit.RDKFuncsJNI
 
dummyLabel_get() - Static method in class org.RDKit.RDKFuncsJNI
 
Dump() - Method in class org.RDKit.gzstream
 
dynamic_cast(MolSanitizeException) - Static method in exception org.RDKit.AtomKekulizeException
 
dynamic_cast(MolSanitizeException) - Static method in exception org.RDKit.AtomSanitizeException
 
dynamic_cast(MolSanitizeException) - Static method in exception org.RDKit.AtomValenceException
 
dynamic_cast(MolSanitizeException) - Static method in exception org.RDKit.KekulizeException
 

E

EBV_Vect - Class in org.RDKit
 
EBV_Vect(long, boolean) - Constructor for class org.RDKit.EBV_Vect
 
EBV_Vect() - Constructor for class org.RDKit.EBV_Vect
 
EBV_Vect(long) - Constructor for class org.RDKit.EBV_Vect
 
EBV_Vect_add(long, EBV_Vect, long, ExplicitBitVect) - Static method in class org.RDKit.RDKFuncsJNI
 
EBV_Vect_capacity(long, EBV_Vect) - Static method in class org.RDKit.RDKFuncsJNI
 
EBV_Vect_clear(long, EBV_Vect) - Static method in class org.RDKit.RDKFuncsJNI
 
EBV_Vect_equals(long, EBV_Vect, long, EBV_Vect) - Static method in class org.RDKit.RDKFuncsJNI
 
EBV_Vect_get(long, EBV_Vect, int) - Static method in class org.RDKit.RDKFuncsJNI
 
EBV_Vect_isEmpty(long, EBV_Vect) - Static method in class org.RDKit.RDKFuncsJNI
 
EBV_Vect_reserve(long, EBV_Vect, long) - Static method in class org.RDKit.RDKFuncsJNI
 
EBV_Vect_set(long, EBV_Vect, int, long, ExplicitBitVect) - Static method in class org.RDKit.RDKFuncsJNI
 
EBV_Vect_size(long, EBV_Vect) - Static method in class org.RDKit.RDKFuncsJNI
 
electronMass_get() - Static method in class org.RDKit.RDKFuncsJNI
 
EmbedMolecule(ROMol, long, int, boolean, boolean, double, boolean, long, Int_Point3D_Map, double, boolean, boolean, boolean, boolean, boolean, double) - Static method in class org.RDKit.DistanceGeom
 
EmbedMolecule(ROMol, long, int, boolean, boolean, double, boolean, long, Int_Point3D_Map, double, boolean, boolean, boolean, boolean, boolean) - Static method in class org.RDKit.DistanceGeom
 
EmbedMolecule(ROMol, long, int, boolean, boolean, double, boolean, long, Int_Point3D_Map, double, boolean, boolean, boolean, boolean) - Static method in class org.RDKit.DistanceGeom
 
EmbedMolecule(ROMol, long, int, boolean, boolean, double, boolean, long, Int_Point3D_Map, double, boolean, boolean, boolean) - Static method in class org.RDKit.DistanceGeom
 
EmbedMolecule(ROMol, long, int, boolean, boolean, double, boolean, long, Int_Point3D_Map, double, boolean, boolean) - Static method in class org.RDKit.DistanceGeom
 
EmbedMolecule(ROMol, long, int, boolean, boolean, double, boolean, long, Int_Point3D_Map, double, boolean) - Static method in class org.RDKit.DistanceGeom
 
EmbedMolecule(ROMol, long, int, boolean, boolean, double, boolean, long, Int_Point3D_Map, double) - Static method in class org.RDKit.DistanceGeom
 
EmbedMolecule(ROMol, long, int, boolean, boolean, double, boolean, long, Int_Point3D_Map) - Static method in class org.RDKit.DistanceGeom
 
EmbedMolecule(ROMol, long, int, boolean, boolean, double, boolean, long) - Static method in class org.RDKit.DistanceGeom
 
EmbedMolecule(ROMol, long, int, boolean, boolean, double, boolean) - Static method in class org.RDKit.DistanceGeom
 
EmbedMolecule(ROMol, long, int, boolean, boolean, double) - Static method in class org.RDKit.DistanceGeom
 
EmbedMolecule(ROMol, long, int, boolean, boolean) - Static method in class org.RDKit.DistanceGeom
 
EmbedMolecule(ROMol, long, int, boolean) - Static method in class org.RDKit.DistanceGeom
 
EmbedMolecule(ROMol, long, int) - Static method in class org.RDKit.DistanceGeom
 
EmbedMolecule(ROMol, long) - Static method in class org.RDKit.DistanceGeom
 
EmbedMolecule(ROMol) - Static method in class org.RDKit.DistanceGeom
 
EmbedMolecule(ROMol, EmbedParameters) - Static method in class org.RDKit.DistanceGeom
 
EmbedMultipleConfs(ROMol, long, long, int, boolean, boolean, double, boolean, long, double, Int_Point3D_Map, double, boolean, boolean, boolean, boolean, boolean, double) - Static method in class org.RDKit.DistanceGeom
 
EmbedMultipleConfs(ROMol, long, long, int, boolean, boolean, double, boolean, long, double, Int_Point3D_Map, double, boolean, boolean, boolean, boolean, boolean) - Static method in class org.RDKit.DistanceGeom
 
EmbedMultipleConfs(ROMol, long, long, int, boolean, boolean, double, boolean, long, double, Int_Point3D_Map, double, boolean, boolean, boolean, boolean) - Static method in class org.RDKit.DistanceGeom
 
EmbedMultipleConfs(ROMol, long, long, int, boolean, boolean, double, boolean, long, double, Int_Point3D_Map, double, boolean, boolean, boolean) - Static method in class org.RDKit.DistanceGeom
 
EmbedMultipleConfs(ROMol, long, long, int, boolean, boolean, double, boolean, long, double, Int_Point3D_Map, double, boolean, boolean) - Static method in class org.RDKit.DistanceGeom
 
EmbedMultipleConfs(ROMol, long, long, int, boolean, boolean, double, boolean, long, double, Int_Point3D_Map, double, boolean) - Static method in class org.RDKit.DistanceGeom
 
EmbedMultipleConfs(ROMol, long, long, int, boolean, boolean, double, boolean, long, double, Int_Point3D_Map, double) - Static method in class org.RDKit.DistanceGeom
 
EmbedMultipleConfs(ROMol, long, long, int, boolean, boolean, double, boolean, long, double, Int_Point3D_Map) - Static method in class org.RDKit.DistanceGeom
 
EmbedMultipleConfs(ROMol, long, long, int, boolean, boolean, double, boolean, long, double) - Static method in class org.RDKit.DistanceGeom
 
EmbedMultipleConfs(ROMol, long, long, int, boolean, boolean, double, boolean, long) - Static method in class org.RDKit.DistanceGeom
 
EmbedMultipleConfs(ROMol, long, long, int, boolean, boolean, double, boolean) - Static method in class org.RDKit.DistanceGeom
 
EmbedMultipleConfs(ROMol, long, long, int, boolean, boolean, double) - Static method in class org.RDKit.DistanceGeom
 
EmbedMultipleConfs(ROMol, long, long, int, boolean, boolean) - Static method in class org.RDKit.DistanceGeom
 
EmbedMultipleConfs(ROMol, long, long, int, boolean) - Static method in class org.RDKit.DistanceGeom
 
EmbedMultipleConfs(ROMol, long, long, int) - Static method in class org.RDKit.DistanceGeom
 
EmbedMultipleConfs(ROMol, long, long) - Static method in class org.RDKit.DistanceGeom
 
EmbedMultipleConfs(ROMol, long) - Static method in class org.RDKit.DistanceGeom
 
EmbedMultipleConfs(ROMol) - Static method in class org.RDKit.DistanceGeom
 
EmbedMultipleConfs(ROMol, long, EmbedParameters) - Static method in class org.RDKit.DistanceGeom
 
EmbedParameters - Class in org.RDKit
 
EmbedParameters(long, boolean) - Constructor for class org.RDKit.EmbedParameters
 
EmbedParameters() - Constructor for class org.RDKit.EmbedParameters
 
EmbedParameters(long, int, int, boolean, boolean, double, boolean, long, Int_Point3D_Map, double, boolean, boolean, boolean, boolean, boolean, double, double, boolean, long, BoundsMatrix, boolean) - Constructor for class org.RDKit.EmbedParameters
 
EmbedParameters(long, int, int, boolean, boolean, double, boolean, long, Int_Point3D_Map, double, boolean, boolean, boolean, boolean, boolean, double, double, boolean, long, BoundsMatrix) - Constructor for class org.RDKit.EmbedParameters
 
EmbedParameters(long, int, int, boolean, boolean, double, boolean, long, Int_Point3D_Map, double, boolean, boolean, boolean, boolean, boolean, double, double, boolean, long) - Constructor for class org.RDKit.EmbedParameters
 
EmbedParameters(long, int, int, boolean, boolean, double, boolean, long, Int_Point3D_Map, double, boolean, boolean, boolean, boolean, boolean, double, double, boolean) - Constructor for class org.RDKit.EmbedParameters
 
EmbedParameters(EmbedParameters) - Constructor for class org.RDKit.EmbedParameters
 
EmbedParameters_basinThresh_get(long, EmbedParameters) - Static method in class org.RDKit.RDKFuncsJNI
 
EmbedParameters_basinThresh_set(long, EmbedParameters, double) - Static method in class org.RDKit.RDKFuncsJNI
 
EmbedParameters_boundsMat_get(long, EmbedParameters) - Static method in class org.RDKit.RDKFuncsJNI
 
EmbedParameters_boundsMat_set(long, EmbedParameters, long) - Static method in class org.RDKit.RDKFuncsJNI
 
EmbedParameters_boxSizeMult_get(long, EmbedParameters) - Static method in class org.RDKit.RDKFuncsJNI
 
EmbedParameters_boxSizeMult_set(long, EmbedParameters, double) - Static method in class org.RDKit.RDKFuncsJNI
 
EmbedParameters_clearConfs_get(long, EmbedParameters) - Static method in class org.RDKit.RDKFuncsJNI
 
EmbedParameters_clearConfs_set(long, EmbedParameters, boolean) - Static method in class org.RDKit.RDKFuncsJNI
 
EmbedParameters_coordMap_get(long, EmbedParameters) - Static method in class org.RDKit.RDKFuncsJNI
 
EmbedParameters_coordMap_set(long, EmbedParameters, long, Int_Point3D_Map) - Static method in class org.RDKit.RDKFuncsJNI
 
EmbedParameters_embedFragmentsSeparately_get(long, EmbedParameters) - Static method in class org.RDKit.RDKFuncsJNI
 
EmbedParameters_embedFragmentsSeparately_set(long, EmbedParameters, boolean) - Static method in class org.RDKit.RDKFuncsJNI
 
EmbedParameters_enforceChirality_get(long, EmbedParameters) - Static method in class org.RDKit.RDKFuncsJNI
 
EmbedParameters_enforceChirality_set(long, EmbedParameters, boolean) - Static method in class org.RDKit.RDKFuncsJNI
 
EmbedParameters_ETversion_get(long, EmbedParameters) - Static method in class org.RDKit.RDKFuncsJNI
 
EmbedParameters_ETversion_set(long, EmbedParameters, long) - Static method in class org.RDKit.RDKFuncsJNI
 
EmbedParameters_ignoreSmoothingFailures_get(long, EmbedParameters) - Static method in class org.RDKit.RDKFuncsJNI
 
EmbedParameters_ignoreSmoothingFailures_set(long, EmbedParameters, boolean) - Static method in class org.RDKit.RDKFuncsJNI
 
EmbedParameters_maxIterations_get(long, EmbedParameters) - Static method in class org.RDKit.RDKFuncsJNI
 
EmbedParameters_maxIterations_set(long, EmbedParameters, long) - Static method in class org.RDKit.RDKFuncsJNI
 
EmbedParameters_numThreads_get(long, EmbedParameters) - Static method in class org.RDKit.RDKFuncsJNI
 
EmbedParameters_numThreads_set(long, EmbedParameters, int) - Static method in class org.RDKit.RDKFuncsJNI
 
EmbedParameters_numZeroFail_get(long, EmbedParameters) - Static method in class org.RDKit.RDKFuncsJNI
 
EmbedParameters_numZeroFail_set(long, EmbedParameters, long) - Static method in class org.RDKit.RDKFuncsJNI
 
EmbedParameters_onlyHeavyAtomsForRMS_get(long, EmbedParameters) - Static method in class org.RDKit.RDKFuncsJNI
 
EmbedParameters_onlyHeavyAtomsForRMS_set(long, EmbedParameters, boolean) - Static method in class org.RDKit.RDKFuncsJNI
 
EmbedParameters_optimizerForceTol_get(long, EmbedParameters) - Static method in class org.RDKit.RDKFuncsJNI
 
EmbedParameters_optimizerForceTol_set(long, EmbedParameters, double) - Static method in class org.RDKit.RDKFuncsJNI
 
EmbedParameters_pruneRmsThresh_get(long, EmbedParameters) - Static method in class org.RDKit.RDKFuncsJNI
 
EmbedParameters_pruneRmsThresh_set(long, EmbedParameters, double) - Static method in class org.RDKit.RDKFuncsJNI
 
EmbedParameters_randNegEig_get(long, EmbedParameters) - Static method in class org.RDKit.RDKFuncsJNI
 
EmbedParameters_randNegEig_set(long, EmbedParameters, boolean) - Static method in class org.RDKit.RDKFuncsJNI
 
EmbedParameters_randomSeed_get(long, EmbedParameters) - Static method in class org.RDKit.RDKFuncsJNI
 
EmbedParameters_randomSeed_set(long, EmbedParameters, int) - Static method in class org.RDKit.RDKFuncsJNI
 
EmbedParameters_useBasicKnowledge_get(long, EmbedParameters) - Static method in class org.RDKit.RDKFuncsJNI
 
EmbedParameters_useBasicKnowledge_set(long, EmbedParameters, boolean) - Static method in class org.RDKit.RDKFuncsJNI
 
EmbedParameters_useExpTorsionAnglePrefs_get(long, EmbedParameters) - Static method in class org.RDKit.RDKFuncsJNI
 
EmbedParameters_useExpTorsionAnglePrefs_set(long, EmbedParameters, boolean) - Static method in class org.RDKit.RDKFuncsJNI
 
EmbedParameters_useRandomCoords_get(long, EmbedParameters) - Static method in class org.RDKit.RDKFuncsJNI
 
EmbedParameters_useRandomCoords_set(long, EmbedParameters, boolean) - Static method in class org.RDKit.RDKFuncsJNI
 
EmbedParameters_verbose_get(long, EmbedParameters) - Static method in class org.RDKit.RDKFuncsJNI
 
EmbedParameters_verbose_set(long, EmbedParameters, boolean) - Static method in class org.RDKit.RDKFuncsJNI
 
empty() - Method in class org.RDKit.BitInfoMap
 
empty() - Method in class org.RDKit.ColourPalette
 
empty() - Method in class org.RDKit.Int_Double_Map
 
empty() - Method in class org.RDKit.Int_Int_Map
 
empty() - Method in class org.RDKit.Int_Int_Vect_List_Map
 
empty() - Method in class org.RDKit.Int_Int_Vect_Map
 
empty() - Method in class org.RDKit.Int_Point2D_Map
 
empty() - Method in class org.RDKit.Int_Point3D_Map
 
empty() - Method in class org.RDKit.Int_String_Map
 
empty() - Method in class org.RDKit.String_String_Map
 
empty() - Method in class org.RDKit.StringMolMap
 
empty() - Method in class org.RDKit.StringROMol_VectMap
 
empty() - Method in class org.RDKit.UIntMolMap
 
endAgentTemplates() - Method in class org.RDKit.ChemicalReaction
 
endAromaticAtoms() - Method in class org.RDKit.ROMol
 
endAtoms() - Method in class org.RDKit.ROMol
 
endBonds() - Method in class org.RDKit.ROMol
 
endConformers() - Method in class org.RDKit.ROMol
 
endHeteros() - Method in class org.RDKit.ROMol
 
endianId_get() - Static method in class org.RDKit.RDKFuncsJNI
 
endMatchingAtoms() - Method in class org.RDKit.ROMol
 
endProductTemplates() - Method in class org.RDKit.ChemicalReaction
 
endQueryAtoms() - Method in class org.RDKit.ROMol
 
endReactantTemplates() - Method in class org.RDKit.ChemicalReaction
 
enumerate() - Method in class org.RDKit.ResonanceMolSupplier
 
enumerateTautomerSmiles(String, CleanupParameters) - Static method in class org.RDKit.RDKFuncs
 
enumerateTautomerSmiles(String) - Static method in class org.RDKit.RDKFuncs
 
enumerateTautomerSmiles__SWIG_0(String, long, CleanupParameters) - Static method in class org.RDKit.RDKFuncsJNI
 
enumerateTautomerSmiles__SWIG_1(String) - Static method in class org.RDKit.RDKFuncsJNI
 
EPS_DOUBLE_get() - Static method in class org.RDKit.RDKFuncsJNI
 
eq(AromaticAtomIterator) - Method in class org.RDKit.AromaticAtomIterator
 
eq(AtomIterator) - Method in class org.RDKit.AtomIterator
 
eq(BondIterator) - Method in class org.RDKit.BondIterator
 
eq(ConstBondIterator) - Method in class org.RDKit.ConstBondIterator
 
eq(HeteroatomIterator) - Method in class org.RDKit.HeteroatomIterator
 
eq(QueryAtomIterator) - Method in class org.RDKit.QueryAtomIterator
 
eq(SparseIntVect32) - Method in class org.RDKit.SparseIntVect32
 
eq(SparseIntVect64) - Method in class org.RDKit.SparseIntVect64
 
eq(SparseIntVectu32) - Method in class org.RDKit.SparseIntVectu32
 
equals(Atom_Vect) - Method in class org.RDKit.Atom_Vect
 
equals(Atomic_Params_Vect) - Method in class org.RDKit.Atomic_Params_Vect
 
equals(Bond_Vect) - Method in class org.RDKit.Bond_Vect
 
equals(Byte_Vect) - Method in class org.RDKit.Byte_Vect
 
equals(Double_Vect) - Method in class org.RDKit.Double_Vect
 
equals(EBV_Vect) - Method in class org.RDKit.EBV_Vect
 
equals(FF_Contrib_Vect) - Method in class org.RDKit.FF_Contrib_Vect
 
equals(FilterCatalogEntry_Vect) - Method in class org.RDKit.FilterCatalogEntry_Vect
 
equals(FilterCatalogEntry_VectVect) - Method in class org.RDKit.FilterCatalogEntry_VectVect
 
equals(FilterCatalogEntryVect) - Method in class org.RDKit.FilterCatalogEntryVect
 
equals(FilterMatch_Vect) - Method in class org.RDKit.FilterMatch_Vect
 
equals(Float_Pair_Vect) - Method in class org.RDKit.Float_Pair_Vect
 
equals(Int_List) - Method in class org.RDKit.Int_List
 
equals(Int_Vect) - Method in class org.RDKit.Int_Vect
 
equals(Int_Vect_List) - Method in class org.RDKit.Int_Vect_List
 
equals(Int_Vect_Vect) - Method in class org.RDKit.Int_Vect_Vect
 
equals(Long_Pair_Vect) - Method in class org.RDKit.Long_Pair_Vect
 
equals(Match_Vect) - Method in class org.RDKit.Match_Vect
 
equals(Match_Vect_Vect) - Method in class org.RDKit.Match_Vect_Vect
 
equals(MolSanitizeException_Vect) - Method in class org.RDKit.MolSanitizeException_Vect
 
equals(Point2D_Vect) - Method in class org.RDKit.Point2D_Vect
 
equals(Point3D_Vect) - Method in class org.RDKit.Point3D_Vect
 
equals(Point_Vect) - Method in class org.RDKit.Point_Vect
 
equals(ROMol_Vect) - Method in class org.RDKit.ROMol_Vect
 
equals(ROMol_Vect_Vect) - Method in class org.RDKit.ROMol_Vect_Vect
 
equals(StereoGroup_Vect) - Method in class org.RDKit.StereoGroup_Vect
 
equals(Str_Vect) - Method in class org.RDKit.Str_Vect
 
equals(StringMolMap_Vect) - Method in class org.RDKit.StringMolMap_Vect
 
equals(UChar_Vect) - Method in class org.RDKit.UChar_Vect
 
equals(UInt_List) - Method in class org.RDKit.UInt_List
 
equals(UInt_Pair_Vect) - Method in class org.RDKit.UInt_Pair_Vect
 
equals(UInt_Vect) - Method in class org.RDKit.UInt_Vect
 
equals(UIntPairVect) - Method in class org.RDKit.UIntPairVect
 
equation17(double, AtomicParams, AtomicParams) - Static method in class org.RDKit.RDKFuncs
 
equation17(double, long, AtomicParams, long, AtomicParams) - Static method in class org.RDKit.RDKFuncsJNI
 
exactmwVersion_get() - Static method in class org.RDKit.RDKFuncsJNI
 
Exhaustive_get() - Static method in class org.RDKit.RDKFuncsJNI
 
expandQuery(SWIGTYPE_p_Queries__QueryT_int_RDKit__Atom_const_p_true_t, CompositeQueryType, boolean) - Method in class org.RDKit.Atom
 
expandQuery(SWIGTYPE_p_Queries__QueryT_int_RDKit__Atom_const_p_true_t, CompositeQueryType) - Method in class org.RDKit.Atom
 
expandQuery(SWIGTYPE_p_Queries__QueryT_int_RDKit__Atom_const_p_true_t) - Method in class org.RDKit.Atom
 
expandQuery(SWIGTYPE_p_Queries__QueryT_int_RDKit__Bond_const_p_true_t, CompositeQueryType, boolean) - Method in class org.RDKit.Bond
 
expandQuery(SWIGTYPE_p_Queries__QueryT_int_RDKit__Bond_const_p_true_t, CompositeQueryType) - Method in class org.RDKit.Bond
 
expandQuery(SWIGTYPE_p_Queries__QueryT_int_RDKit__Bond_const_p_true_t) - Method in class org.RDKit.Bond
 
expandQuery(SWIGTYPE_p_Queries__QueryT_int_RDKit__Atom_const_p_true_t, CompositeQueryType, boolean) - Method in class org.RDKit.QueryAtom
expands our current query
expandQuery(SWIGTYPE_p_Queries__QueryT_int_RDKit__Atom_const_p_true_t, CompositeQueryType) - Method in class org.RDKit.QueryAtom
expands our current query
expandQuery(SWIGTYPE_p_Queries__QueryT_int_RDKit__Atom_const_p_true_t) - Method in class org.RDKit.QueryAtom
expands our current query
expandQuery(SWIGTYPE_p_Queries__QueryT_int_RDKit__Bond_const_p_true_t, CompositeQueryType, boolean) - Method in class org.RDKit.QueryBond
expands our current query
expandQuery(SWIGTYPE_p_Queries__QueryT_int_RDKit__Bond_const_p_true_t, CompositeQueryType) - Method in class org.RDKit.QueryBond
expands our current query
expandQuery(SWIGTYPE_p_Queries__QueryT_int_RDKit__Bond_const_p_true_t) - Method in class org.RDKit.QueryBond
expands our current query
ExplicitBitVect - Class in org.RDKit
 
ExplicitBitVect(long, boolean) - Constructor for class org.RDKit.ExplicitBitVect
 
ExplicitBitVect() - Constructor for class org.RDKit.ExplicitBitVect
 
ExplicitBitVect(long) - Constructor for class org.RDKit.ExplicitBitVect
 
ExplicitBitVect(ExplicitBitVect) - Constructor for class org.RDKit.ExplicitBitVect
 
ExplicitBitVect(String) - Constructor for class org.RDKit.ExplicitBitVect
 
ExplicitBitVect(String, long) - Constructor for class org.RDKit.ExplicitBitVect
 
ExplicitBitVect(SWIGTYPE_p_boost__dynamic_bitsetT_t) - Constructor for class org.RDKit.ExplicitBitVect
 
ExplicitBitVect(UChar_Vect) - Constructor for class org.RDKit.ExplicitBitVect
 
ExplicitBitVect_clearBits(long, ExplicitBitVect) - Static method in class org.RDKit.RDKFuncsJNI
 
ExplicitBitVect_getBit(long, ExplicitBitVect, long) - Static method in class org.RDKit.RDKFuncsJNI
 
ExplicitBitVect_getNumBits(long, ExplicitBitVect) - Static method in class org.RDKit.RDKFuncsJNI
 
ExplicitBitVect_getNumOffBits(long, ExplicitBitVect) - Static method in class org.RDKit.RDKFuncsJNI
 
ExplicitBitVect_getNumOnBits(long, ExplicitBitVect) - Static method in class org.RDKit.RDKFuncsJNI
 
ExplicitBitVect_getOnBits(long, ExplicitBitVect) - Static method in class org.RDKit.RDKFuncsJNI
 
ExplicitBitVect_setBit(long, ExplicitBitVect, long) - Static method in class org.RDKit.RDKFuncsJNI
 
ExplicitBitVect_SWIGUpcast(long) - Static method in class org.RDKit.RDKFuncsJNI
 
ExplicitBitVect_toByteArray(long, ExplicitBitVect) - Static method in class org.RDKit.RDKFuncsJNI
 
ExplicitBitVect_toString(long, ExplicitBitVect) - Static method in class org.RDKit.RDKFuncsJNI
 
ExplicitBitVect_unsetBit(long, ExplicitBitVect, long) - Static method in class org.RDKit.RDKFuncsJNI
 
ExtraInchiReturnValues - Class in org.RDKit
 
ExtraInchiReturnValues(long, boolean) - Constructor for class org.RDKit.ExtraInchiReturnValues
 
ExtraInchiReturnValues() - Constructor for class org.RDKit.ExtraInchiReturnValues
 
ExtraInchiReturnValues_auxInfoPtr_get(long, ExtraInchiReturnValues) - Static method in class org.RDKit.RDKFuncsJNI
 
ExtraInchiReturnValues_auxInfoPtr_set(long, ExtraInchiReturnValues, String) - Static method in class org.RDKit.RDKFuncsJNI
 
ExtraInchiReturnValues_logPtr_get(long, ExtraInchiReturnValues) - Static method in class org.RDKit.RDKFuncsJNI
 
ExtraInchiReturnValues_logPtr_set(long, ExtraInchiReturnValues, String) - Static method in class org.RDKit.RDKFuncsJNI
 
ExtraInchiReturnValues_messagePtr_get(long, ExtraInchiReturnValues) - Static method in class org.RDKit.RDKFuncsJNI
 
ExtraInchiReturnValues_messagePtr_set(long, ExtraInchiReturnValues, String) - Static method in class org.RDKit.RDKFuncsJNI
 
ExtraInchiReturnValues_returnCode_get(long, ExtraInchiReturnValues) - Static method in class org.RDKit.RDKFuncsJNI
 
ExtraInchiReturnValues_returnCode_set(long, ExtraInchiReturnValues, int) - Static method in class org.RDKit.RDKFuncsJNI
 
extraRings_get() - Static method in class org.RDKit.RDKFuncsJNI
 

F

fastFindRings(ROMol) - Static method in class org.RDKit.RDKFuncs
 
fastFindRings(long, ROMol) - Static method in class org.RDKit.RDKFuncsJNI
 
feq(DrawColour, double, boolean) - Method in class org.RDKit.DrawColour
 
feq(DrawColour, double) - Method in class org.RDKit.DrawColour
 
feq(DrawColour) - Method in class org.RDKit.DrawColour
 
FF_Contrib_Vect - Class in org.RDKit
 
FF_Contrib_Vect(long, boolean) - Constructor for class org.RDKit.FF_Contrib_Vect
 
FF_Contrib_Vect() - Constructor for class org.RDKit.FF_Contrib_Vect
 
FF_Contrib_Vect(long) - Constructor for class org.RDKit.FF_Contrib_Vect
 
FF_Contrib_Vect_add(long, FF_Contrib_Vect, long, ForceFieldContrib) - Static method in class org.RDKit.RDKFuncsJNI
 
FF_Contrib_Vect_capacity(long, FF_Contrib_Vect) - Static method in class org.RDKit.RDKFuncsJNI
 
FF_Contrib_Vect_clear(long, FF_Contrib_Vect) - Static method in class org.RDKit.RDKFuncsJNI
 
FF_Contrib_Vect_equals(long, FF_Contrib_Vect, long, FF_Contrib_Vect) - Static method in class org.RDKit.RDKFuncsJNI
 
FF_Contrib_Vect_get(long, FF_Contrib_Vect, int) - Static method in class org.RDKit.RDKFuncsJNI
 
FF_Contrib_Vect_isEmpty(long, FF_Contrib_Vect) - Static method in class org.RDKit.RDKFuncsJNI
 
FF_Contrib_Vect_reserve(long, FF_Contrib_Vect, long) - Static method in class org.RDKit.RDKFuncsJNI
 
FF_Contrib_Vect_set(long, FF_Contrib_Vect, int, long, ForceFieldContrib) - Static method in class org.RDKit.RDKFuncsJNI
 
FF_Contrib_Vect_size(long, FF_Contrib_Vect) - Static method in class org.RDKit.RDKFuncsJNI
 
fillCatalog(FilterCatalog) - Method in class org.RDKit.FilterCatalogParams
 
fillPolys() - Method in class org.RDKit.MolDraw2D
 
FilterCatalog - Class in org.RDKit
FilterCatalog Class used to filter out undesireable molecules
Basic usage:
FilterCatalog(long, boolean) - Constructor for class org.RDKit.FilterCatalog
 
FilterCatalog() - Constructor for class org.RDKit.FilterCatalog
 
FilterCatalog(FilterCatalogParams.FilterCatalogs) - Constructor for class org.RDKit.FilterCatalog
 
FilterCatalog(FilterCatalogParams) - Constructor for class org.RDKit.FilterCatalog
 
FilterCatalog(FilterCatalog) - Constructor for class org.RDKit.FilterCatalog
 
FilterCatalog(String) - Constructor for class org.RDKit.FilterCatalog
 
FilterCatalog(UChar_Vect) - Constructor for class org.RDKit.FilterCatalog
 
FilterCatalog_addEntry(long, FilterCatalog, long, FilterCatalogEntry) - Static method in class org.RDKit.RDKFuncsJNI
 
FilterCatalog_canSerialize(long, FilterCatalog) - Static method in class org.RDKit.RDKFuncsJNI
 
FilterCatalog_getEntry(long, FilterCatalog, long) - Static method in class org.RDKit.RDKFuncsJNI
 
FilterCatalog_getFilterMatches(long, FilterCatalog, long, ROMol) - Static method in class org.RDKit.RDKFuncsJNI
 
FilterCatalog_getFirstMatch(long, FilterCatalog, long, ROMol) - Static method in class org.RDKit.RDKFuncsJNI
 
FilterCatalog_getIdxForEntry(long, FilterCatalog, long, FilterCatalogEntry) - Static method in class org.RDKit.RDKFuncsJNI
 
FilterCatalog_getMatches(long, FilterCatalog, long, ROMol) - Static method in class org.RDKit.RDKFuncsJNI
 
FilterCatalog_getNumEntries(long, FilterCatalog) - Static method in class org.RDKit.RDKFuncsJNI
 
FilterCatalog_hasMatch(long, FilterCatalog, long, ROMol) - Static method in class org.RDKit.RDKFuncsJNI
 
FilterCatalog_removeEntry(long, FilterCatalog, long, FilterCatalogEntry) - Static method in class org.RDKit.RDKFuncsJNI
 
FilterCatalog_Serialize(long, FilterCatalog) - Static method in class org.RDKit.RDKFuncsJNI
 
FilterCatalogCanSerialize() - Static method in class org.RDKit.RDKFuncs
 
FilterCatalogCanSerialize() - Static method in class org.RDKit.RDKFuncsJNI
 
FilterCatalogDeserialize(byte[]) - Static method in class org.RDKit.RDKFuncs
 
FilterCatalogEntry - Class in org.RDKit
 
FilterCatalogEntry(long, boolean) - Constructor for class org.RDKit.FilterCatalogEntry
 
FilterCatalogEntry() - Constructor for class org.RDKit.FilterCatalogEntry
 
FilterCatalogEntry(String, FilterMatcherBase) - Constructor for class org.RDKit.FilterCatalogEntry
 
FilterCatalogEntry(String, SWIGTYPE_p_boost__shared_ptrT_RDKit__FilterMatcherBase_t) - Constructor for class org.RDKit.FilterCatalogEntry
 
FilterCatalogEntry(FilterCatalogEntry) - Constructor for class org.RDKit.FilterCatalogEntry
 
FilterCatalogEntry_clearProp__SWIG_0(long, FilterCatalogEntry, String) - Static method in class org.RDKit.RDKFuncsJNI
 
FilterCatalogEntry_getDescription(long, FilterCatalogEntry) - Static method in class org.RDKit.RDKFuncsJNI
 
FilterCatalogEntry_getFilterMatches__SWIG_0(long, FilterCatalogEntry, long, ROMol, long, FilterMatch_Vect) - Static method in class org.RDKit.RDKFuncsJNI
 
FilterCatalogEntry_getFilterMatches__SWIG_1(long, FilterCatalogEntry, long, ROMol) - Static method in class org.RDKit.RDKFuncsJNI
 
FilterCatalogEntry_getProp(long, FilterCatalogEntry, String) - Static method in class org.RDKit.RDKFuncsJNI
 
FilterCatalogEntry_getPropList(long, FilterCatalogEntry) - Static method in class org.RDKit.RDKFuncsJNI
 
FilterCatalogEntry_getProps__SWIG_0(long, FilterCatalogEntry) - Static method in class org.RDKit.RDKFuncsJNI
 
FilterCatalogEntry_hasFilterMatch(long, FilterCatalogEntry, long, ROMol) - Static method in class org.RDKit.RDKFuncsJNI
 
FilterCatalogEntry_hasProp__SWIG_0(long, FilterCatalogEntry, String) - Static method in class org.RDKit.RDKFuncsJNI
 
FilterCatalogEntry_initFromStream(long, FilterCatalogEntry, long) - Static method in class org.RDKit.RDKFuncsJNI
 
FilterCatalogEntry_initFromString(long, FilterCatalogEntry, String) - Static method in class org.RDKit.RDKFuncsJNI
 
FilterCatalogEntry_isValid(long, FilterCatalogEntry) - Static method in class org.RDKit.RDKFuncsJNI
 
FilterCatalogEntry_Serialize(long, FilterCatalogEntry) - Static method in class org.RDKit.RDKFuncsJNI
 
FilterCatalogEntry_setDescription(long, FilterCatalogEntry, String) - Static method in class org.RDKit.RDKFuncsJNI
 
FilterCatalogEntry_setProps(long, FilterCatalogEntry, long, Dict) - Static method in class org.RDKit.RDKFuncsJNI
 
FilterCatalogEntry_toStream(long, FilterCatalogEntry, long) - Static method in class org.RDKit.RDKFuncsJNI
 
FilterCatalogEntry_Vect - Class in org.RDKit
 
FilterCatalogEntry_Vect(long, boolean) - Constructor for class org.RDKit.FilterCatalogEntry_Vect
 
FilterCatalogEntry_Vect() - Constructor for class org.RDKit.FilterCatalogEntry_Vect
 
FilterCatalogEntry_Vect(long) - Constructor for class org.RDKit.FilterCatalogEntry_Vect
 
FilterCatalogEntry_Vect_add(long, FilterCatalogEntry_Vect, long, FilterCatalogEntry) - Static method in class org.RDKit.RDKFuncsJNI
 
FilterCatalogEntry_Vect_capacity(long, FilterCatalogEntry_Vect) - Static method in class org.RDKit.RDKFuncsJNI
 
FilterCatalogEntry_Vect_clear(long, FilterCatalogEntry_Vect) - Static method in class org.RDKit.RDKFuncsJNI
 
FilterCatalogEntry_Vect_equals(long, FilterCatalogEntry_Vect, long, FilterCatalogEntry_Vect) - Static method in class org.RDKit.RDKFuncsJNI
 
FilterCatalogEntry_Vect_get(long, FilterCatalogEntry_Vect, int) - Static method in class org.RDKit.RDKFuncsJNI
 
FilterCatalogEntry_Vect_isEmpty(long, FilterCatalogEntry_Vect) - Static method in class org.RDKit.RDKFuncsJNI
 
FilterCatalogEntry_Vect_reserve(long, FilterCatalogEntry_Vect, long) - Static method in class org.RDKit.RDKFuncsJNI
 
FilterCatalogEntry_Vect_set(long, FilterCatalogEntry_Vect, int, long, FilterCatalogEntry) - Static method in class org.RDKit.RDKFuncsJNI
 
FilterCatalogEntry_Vect_size(long, FilterCatalogEntry_Vect) - Static method in class org.RDKit.RDKFuncsJNI
 
FilterCatalogEntry_VectVect - Class in org.RDKit
 
FilterCatalogEntry_VectVect(long, boolean) - Constructor for class org.RDKit.FilterCatalogEntry_VectVect
 
FilterCatalogEntry_VectVect() - Constructor for class org.RDKit.FilterCatalogEntry_VectVect
 
FilterCatalogEntry_VectVect(long) - Constructor for class org.RDKit.FilterCatalogEntry_VectVect
 
FilterCatalogEntry_VectVect_add(long, FilterCatalogEntry_VectVect, long) - Static method in class org.RDKit.RDKFuncsJNI
 
FilterCatalogEntry_VectVect_capacity(long, FilterCatalogEntry_VectVect) - Static method in class org.RDKit.RDKFuncsJNI
 
FilterCatalogEntry_VectVect_clear(long, FilterCatalogEntry_VectVect) - Static method in class org.RDKit.RDKFuncsJNI
 
FilterCatalogEntry_VectVect_equals(long, FilterCatalogEntry_VectVect, long, FilterCatalogEntry_VectVect) - Static method in class org.RDKit.RDKFuncsJNI
 
FilterCatalogEntry_VectVect_get(long, FilterCatalogEntry_VectVect, int) - Static method in class org.RDKit.RDKFuncsJNI
 
FilterCatalogEntry_VectVect_isEmpty(long, FilterCatalogEntry_VectVect) - Static method in class org.RDKit.RDKFuncsJNI
 
FilterCatalogEntry_VectVect_reserve(long, FilterCatalogEntry_VectVect, long) - Static method in class org.RDKit.RDKFuncsJNI
 
FilterCatalogEntry_VectVect_set(long, FilterCatalogEntry_VectVect, int, long) - Static method in class org.RDKit.RDKFuncsJNI
 
FilterCatalogEntry_VectVect_size(long, FilterCatalogEntry_VectVect) - Static method in class org.RDKit.RDKFuncsJNI
 
FilterCatalogEntryVect - Class in org.RDKit
 
FilterCatalogEntryVect(long, boolean) - Constructor for class org.RDKit.FilterCatalogEntryVect
 
FilterCatalogEntryVect() - Constructor for class org.RDKit.FilterCatalogEntryVect
 
FilterCatalogEntryVect(long) - Constructor for class org.RDKit.FilterCatalogEntryVect
 
FilterCatalogEntryVect_add(long, FilterCatalogEntryVect, long, FilterCatalogEntry) - Static method in class org.RDKit.RDKFuncsJNI
 
FilterCatalogEntryVect_capacity(long, FilterCatalogEntryVect) - Static method in class org.RDKit.RDKFuncsJNI
 
FilterCatalogEntryVect_clear(long, FilterCatalogEntryVect) - Static method in class org.RDKit.RDKFuncsJNI
 
FilterCatalogEntryVect_equals(long, FilterCatalogEntryVect, long, FilterCatalogEntryVect) - Static method in class org.RDKit.RDKFuncsJNI
 
FilterCatalogEntryVect_get(long, FilterCatalogEntryVect, int) - Static method in class org.RDKit.RDKFuncsJNI
 
FilterCatalogEntryVect_isEmpty(long, FilterCatalogEntryVect) - Static method in class org.RDKit.RDKFuncsJNI
 
FilterCatalogEntryVect_reserve(long, FilterCatalogEntryVect, long) - Static method in class org.RDKit.RDKFuncsJNI
 
FilterCatalogEntryVect_set(long, FilterCatalogEntryVect, int, long, FilterCatalogEntry) - Static method in class org.RDKit.RDKFuncsJNI
 
FilterCatalogEntryVect_size(long, FilterCatalogEntryVect) - Static method in class org.RDKit.RDKFuncsJNI
 
FilterCatalogParams - Class in org.RDKit
Paramter Class for initializing a FilterCatalog with the specified set of FilterCatalogs.
FilterCatalogParams(long, boolean) - Constructor for class org.RDKit.FilterCatalogParams
 
FilterCatalogParams() - Constructor for class org.RDKit.FilterCatalogParams
 
FilterCatalogParams(FilterCatalogParams.FilterCatalogs) - Constructor for class org.RDKit.FilterCatalogParams
 
FilterCatalogParams(FilterCatalogParams) - Constructor for class org.RDKit.FilterCatalogParams
 
FilterCatalogParams.FilterCatalogs - Enum in org.RDKit
 
FilterCatalogParams_addCatalog(long, FilterCatalogParams, int) - Static method in class org.RDKit.RDKFuncsJNI
 
FilterCatalogParams_ALL_get() - Static method in class org.RDKit.RDKFuncsJNI
 
FilterCatalogParams_BRENK_get() - Static method in class org.RDKit.RDKFuncsJNI
 
FilterCatalogParams_fillCatalog(long, FilterCatalogParams, long, FilterCatalog) - Static method in class org.RDKit.RDKFuncsJNI
 
FilterCatalogParams_getCatalogs(long, FilterCatalogParams) - Static method in class org.RDKit.RDKFuncsJNI
 
FilterCatalogParams_initFromStream(long, FilterCatalogParams, long) - Static method in class org.RDKit.RDKFuncsJNI
 
FilterCatalogParams_initFromString(long, FilterCatalogParams, String) - Static method in class org.RDKit.RDKFuncsJNI
 
FilterCatalogParams_NIH_get() - Static method in class org.RDKit.RDKFuncsJNI
 
FilterCatalogParams_PAINS_A_get() - Static method in class org.RDKit.RDKFuncsJNI
 
FilterCatalogParams_PAINS_B_get() - Static method in class org.RDKit.RDKFuncsJNI
 
FilterCatalogParams_PAINS_C_get() - Static method in class org.RDKit.RDKFuncsJNI
 
FilterCatalogParams_PAINS_get() - Static method in class org.RDKit.RDKFuncsJNI
 
FilterCatalogParams_Serialize(long, FilterCatalogParams) - Static method in class org.RDKit.RDKFuncsJNI
 
FilterCatalogParams_SWIGUpcast(long) - Static method in class org.RDKit.RDKFuncsJNI
 
FilterCatalogParams_toStream(long, FilterCatalogParams, long) - Static method in class org.RDKit.RDKFuncsJNI
 
FilterCatalogParams_ZINC_get() - Static method in class org.RDKit.RDKFuncsJNI
 
FilterMatch - Class in org.RDKit
 
FilterMatch(long, boolean) - Constructor for class org.RDKit.FilterMatch
 
FilterMatch() - Constructor for class org.RDKit.FilterMatch
 
FilterMatch(SWIGTYPE_p_boost__shared_ptrT_RDKit__FilterMatcherBase_t, Match_Vect) - Constructor for class org.RDKit.FilterMatch
 
FilterMatch(FilterMatch) - Constructor for class org.RDKit.FilterMatch
 
FilterMatch_atomPairs_get(long, FilterMatch) - Static method in class org.RDKit.RDKFuncsJNI
 
FilterMatch_atomPairs_set(long, FilterMatch, long, Match_Vect) - Static method in class org.RDKit.RDKFuncsJNI
 
FilterMatch_filterMatch_get(long, FilterMatch) - Static method in class org.RDKit.RDKFuncsJNI
 
FilterMatch_filterMatch_set(long, FilterMatch, long) - Static method in class org.RDKit.RDKFuncsJNI
 
FilterMatch_getAtomMatches(long, FilterMatch) - Static method in class org.RDKit.RDKFuncsJNI
 
FilterMatch_Vect - Class in org.RDKit
 
FilterMatch_Vect(long, boolean) - Constructor for class org.RDKit.FilterMatch_Vect
 
FilterMatch_Vect() - Constructor for class org.RDKit.FilterMatch_Vect
 
FilterMatch_Vect(long) - Constructor for class org.RDKit.FilterMatch_Vect
 
FilterMatch_Vect_add(long, FilterMatch_Vect, long, FilterMatch) - Static method in class org.RDKit.RDKFuncsJNI
 
FilterMatch_Vect_capacity(long, FilterMatch_Vect) - Static method in class org.RDKit.RDKFuncsJNI
 
FilterMatch_Vect_clear(long, FilterMatch_Vect) - Static method in class org.RDKit.RDKFuncsJNI
 
FilterMatch_Vect_equals(long, FilterMatch_Vect, long, FilterMatch_Vect) - Static method in class org.RDKit.RDKFuncsJNI
 
FilterMatch_Vect_get(long, FilterMatch_Vect, int) - Static method in class org.RDKit.RDKFuncsJNI
 
FilterMatch_Vect_isEmpty(long, FilterMatch_Vect) - Static method in class org.RDKit.RDKFuncsJNI
 
FilterMatch_Vect_reserve(long, FilterMatch_Vect, long) - Static method in class org.RDKit.RDKFuncsJNI
 
FilterMatch_Vect_set(long, FilterMatch_Vect, int, long, FilterMatch) - Static method in class org.RDKit.RDKFuncsJNI
 
FilterMatch_Vect_size(long, FilterMatch_Vect) - Static method in class org.RDKit.RDKFuncsJNI
 
FilterMatcherBase - Class in org.RDKit
 
FilterMatcherBase(long, boolean) - Constructor for class org.RDKit.FilterMatcherBase
 
FilterMatcherBase_Clone(long, FilterMatcherBase) - Static method in class org.RDKit.RDKFuncsJNI
 
FilterMatcherBase_copy(long, FilterMatcherBase) - Static method in class org.RDKit.RDKFuncsJNI
 
FilterMatcherBase_getMatches(long, FilterMatcherBase, long, ROMol, long, FilterMatch_Vect) - Static method in class org.RDKit.RDKFuncsJNI
 
FilterMatcherBase_getName(long, FilterMatcherBase) - Static method in class org.RDKit.RDKFuncsJNI
 
FilterMatcherBase_hasMatch(long, FilterMatcherBase, long, ROMol) - Static method in class org.RDKit.RDKFuncsJNI
 
FilterMatcherBase_isValid(long, FilterMatcherBase) - Static method in class org.RDKit.RDKFuncsJNI
 
finalize() - Method in class org.RDKit.AdjustQueryParameters
 
finalize() - Method in class org.RDKit.AngleBendContrib
 
finalize() - Method in class org.RDKit.AromaticAtomIterator
 
finalize() - Method in class org.RDKit.Atom
 
finalize() - Method in class org.RDKit.Atom_Vect
 
finalize() - Method in class org.RDKit.Atomic_Params_Vect
 
finalize() - Method in class org.RDKit.atomicData
 
finalize() - Method in class org.RDKit.AtomicParams
 
finalize() - Method in class org.RDKit.AtomIterator
 
finalize() - Method in exception org.RDKit.AtomKekulizeException
 
finalize() - Method in class org.RDKit.AtomMonomerInfo
 
finalize() - Method in class org.RDKit.AtomPDBResidueInfo
 
finalize() - Method in class org.RDKit.AtomRingQuery
 
finalize() - Method in exception org.RDKit.AtomSanitizeException
 
finalize() - Method in exception org.RDKit.AtomValenceException
 
finalize() - Method in class org.RDKit.BitInfoMap
 
finalize() - Method in class org.RDKit.BitVect
 
finalize() - Method in class org.RDKit.Bond
 
finalize() - Method in class org.RDKit.Bond_Vect
 
finalize() - Method in class org.RDKit.BondIterator
 
finalize() - Method in class org.RDKit.BondStretchContrib
 
finalize() - Method in class org.RDKit.BoundsMatrix
 
finalize() - Method in class org.RDKit.Byte_Vect
 
finalize() - Method in class org.RDKit.CachedMolHolder
 
finalize() - Method in class org.RDKit.CachedSmilesMolHolder
 
finalize() - Method in class org.RDKit.CachedTrustedSmilesMolHolder
 
finalize() - Method in class org.RDKit.CatalogParams
 
finalize() - Method in class org.RDKit.charptr_functor
 
finalize() - Method in class org.RDKit.ChemicalReaction
 
finalize() - Method in exception org.RDKit.ChemicalReactionException
 
finalize() - Method in exception org.RDKit.ChemicalReactionParserException
 
finalize() - Method in class org.RDKit.ChiralSet
 
finalize() - Method in class org.RDKit.CleanupParameters
 
finalize() - Method in class org.RDKit.ColourPalette
 
finalize() - Method in class org.RDKit.Conformer
 
finalize() - Method in exception org.RDKit.ConformerException
 
finalize() - Method in class org.RDKit.ConstBondIterator
 
finalize() - Method in class org.RDKit.ContourParams
 
finalize() - Method in class org.RDKit.Dict
 
finalize() - Method in class org.RDKit.DistanceConstraintContrib
 
finalize() - Method in class org.RDKit.DistanceGeom
 
finalize() - Method in class org.RDKit.Double_Array
 
finalize() - Method in class org.RDKit.Double_Pair
 
finalize() - Method in class org.RDKit.Double_Vect
 
finalize() - Method in class org.RDKit.DoubleMatrix
 
finalize() - Method in class org.RDKit.DoubleSquareMatrix
 
finalize() - Method in class org.RDKit.DoubleSymmMatrix
 
finalize() - Method in class org.RDKit.DrawColour
 
finalize() - Method in class org.RDKit.EBV_Vect
 
finalize() - Method in class org.RDKit.EmbedParameters
 
finalize() - Method in class org.RDKit.ExplicitBitVect
 
finalize() - Method in class org.RDKit.ExtraInchiReturnValues
 
finalize() - Method in class org.RDKit.FF_Contrib_Vect
 
finalize() - Method in class org.RDKit.FilterCatalog
 
finalize() - Method in class org.RDKit.FilterCatalogEntry
 
finalize() - Method in class org.RDKit.FilterCatalogEntry_Vect
 
finalize() - Method in class org.RDKit.FilterCatalogEntry_VectVect
 
finalize() - Method in class org.RDKit.FilterCatalogEntryVect
 
finalize() - Method in class org.RDKit.FilterCatalogParams
 
finalize() - Method in class org.RDKit.FilterMatch
 
finalize() - Method in class org.RDKit.FilterMatch_Vect
 
finalize() - Method in class org.RDKit.FilterMatcherBase
 
finalize() - Method in class org.RDKit.Flagged_Atomic_Params_Vect
 
finalize() - Method in class org.RDKit.Float_Pair
 
finalize() - Method in class org.RDKit.Float_Pair_Vect
 
finalize() - Method in class org.RDKit.ForceField
 
finalize() - Method in class org.RDKit.ForceFieldContrib
 
finalize() - Method in class org.RDKit.ForwardSDMolSupplier
 
finalize() - Method in class org.RDKit.FPHolderBase
 
finalize() - Method in class org.RDKit.FragmenterBondType
 
finalize() - Method in exception org.RDKit.GenericRDKitException
 
finalize() - Method in class org.RDKit.gzstream
 
finalize() - Method in class org.RDKit.HeteroatomIterator
 
finalize() - Method in class org.RDKit.IndexErrorException
 
finalize() - Method in class org.RDKit.Int_Double_Map
 
finalize() - Method in class org.RDKit.Int_Int_Map
 
finalize() - Method in class org.RDKit.Int_Int_Vect_List_Map
 
finalize() - Method in class org.RDKit.Int_Int_Vect_Map
 
finalize() - Method in class org.RDKit.Int_List
 
finalize() - Method in class org.RDKit.Int_Pair
 
finalize() - Method in class org.RDKit.Int_Point2D_Map
 
finalize() - Method in class org.RDKit.Int_Point3D_Map
 
finalize() - Method in class org.RDKit.Int_String_Map
 
finalize() - Method in class org.RDKit.Int_Vect
 
finalize() - Method in class org.RDKit.Int_Vect_List
 
finalize() - Method in class org.RDKit.Int_Vect_Vect
 
finalize() - Method in class org.RDKit.IntMatrix
 
finalize() - Method in class org.RDKit.IntSymmMatrix
 
finalize() - Method in class org.RDKit.InversionContrib
 
finalize() - Method in exception org.RDKit.KekulizeException
 
finalize() - Method in exception org.RDKit.KeyErrorException
 
finalize() - Method in class org.RDKit.Long_Pair
 
finalize() - Method in class org.RDKit.Long_Pair_Vect
 
finalize() - Method in class org.RDKit.ltDouble
 
finalize() - Method in class org.RDKit.Match_Vect
 
finalize() - Method in class org.RDKit.Match_Vect_Vect
 
finalize() - Method in class org.RDKit.MCSAtomCompareParameters
 
finalize() - Method in class org.RDKit.MCSBondCompareParameters
 
finalize() - Method in class org.RDKit.MCSProgressData
 
finalize() - Method in class org.RDKit.MCSResult
 
finalize() - Method in class org.RDKit.MolDraw2D
 
finalize() - Method in class org.RDKit.MolDraw2DSVG
 
finalize() - Method in class org.RDKit.MolDrawOptions
 
finalize() - Method in class org.RDKit.MolFileUnhandledFeatureException
 
finalize() - Method in class org.RDKit.MolHolder
 
finalize() - Method in class org.RDKit.MolHolderBase
 
finalize() - Method in exception org.RDKit.MolPicklerException
 
finalize() - Method in exception org.RDKit.MolSanitizeException
 
finalize() - Method in class org.RDKit.MolSanitizeException_Vect
 
finalize() - Method in class org.RDKit.MolStackElem
 
finalize() - Method in class org.RDKit.MolStackUnion
 
finalize() - Method in class org.RDKit.MolSupplier
 
finalize() - Method in class org.RDKit.MolWriter
 
finalize() - Method in class org.RDKit.ParamCollection
 
finalize() - Method in class org.RDKit.PatternHolder
 
finalize() - Method in class org.RDKit.PDBMolSupplier
 
finalize() - Method in class org.RDKit.PDBWriter
 
finalize() - Method in class org.RDKit.PeriodicTable
 
finalize() - Method in class org.RDKit.Point
 
finalize() - Method in class org.RDKit.Point2D
 
finalize() - Method in class org.RDKit.Point2D_Vect
 
finalize() - Method in class org.RDKit.Point3D
 
finalize() - Method in class org.RDKit.Point3D_Vect
 
finalize() - Method in class org.RDKit.Point_Vect
 
finalize() - Method in class org.RDKit.PointND
 
finalize() - Method in class org.RDKit.QueryAtom
 
finalize() - Method in class org.RDKit.QueryAtomIterator
 
finalize() - Method in class org.RDKit.QueryBond
 
finalize() - Method in class org.RDKit.RDProps
 
finalize() - Method in class org.RDKit.ReactionFingerprintParams
 
finalize() - Method in class org.RDKit.RecursiveStructureQuery
 
finalize() - Method in class org.RDKit.ResonanceMolSupplier
 
finalize() - Method in class org.RDKit.RGroupDecomposition
 
finalize() - Method in class org.RDKit.RGroupDecompositionParameters
 
finalize() - Method in class org.RDKit.RingInfo
 
finalize() - Method in class org.RDKit.ROMol
 
finalize() - Method in class org.RDKit.ROMol_Vect
 
finalize() - Method in class org.RDKit.ROMol_Vect_Vect
 
finalize() - Method in class org.RDKit.RWMol
 
finalize() - Method in class org.RDKit.SDMolSupplier
 
finalize() - Method in class org.RDKit.SDWriter
 
finalize() - Method in class org.RDKit.Shared_Double_Array
 
finalize() - Method in class org.RDKit.Shared_Int_Array
 
finalize() - Method in class org.RDKit.SmilesMolSupplier
 
finalize() - Method in exception org.RDKit.SmilesParseException
 
finalize() - Method in class org.RDKit.SmilesParserParams
 
finalize() - Method in class org.RDKit.SmilesWriter
 
finalize() - Method in class org.RDKit.Snapshot
 
finalize() - Method in class org.RDKit.SparseIntVect32
 
finalize() - Method in class org.RDKit.SparseIntVect64
 
finalize() - Method in class org.RDKit.SparseIntVectu32
 
finalize() - Method in class org.RDKit.ss_matcher
 
finalize() - Method in class org.RDKit.StereoGroup
 
finalize() - Method in class org.RDKit.StereoGroup_Vect
 
finalize() - Method in class org.RDKit.Str_Vect
 
finalize() - Method in class org.RDKit.String_String_Map
 
finalize() - Method in class org.RDKit.StringInt_Pair
 
finalize() - Method in class org.RDKit.StringMolMap
 
finalize() - Method in class org.RDKit.StringMolMap_Vect
 
finalize() - Method in class org.RDKit.StringROMol_VectMap
 
finalize() - Method in class org.RDKit.SubstructLibrary
 
finalize() - Method in class org.RDKit.SubstructMatchParameters
 
finalize() - Method in class org.RDKit.TDTMolSupplier
 
finalize() - Method in class org.RDKit.TDTWriter
 
finalize() - Method in class org.RDKit.TorsionAngleContrib
 
finalize() - Method in class org.RDKit.Trajectory
 
finalize() - Method in class org.RDKit.Transform2D
 
finalize() - Method in class org.RDKit.Transform3D
 
finalize() - Method in class org.RDKit.UChar_Vect
 
finalize() - Method in class org.RDKit.UFFAngle
 
finalize() - Method in class org.RDKit.UFFBond
 
finalize() - Method in class org.RDKit.UFFInv
 
finalize() - Method in class org.RDKit.UFFTor
 
finalize() - Method in class org.RDKit.UFFVdW
 
finalize() - Method in class org.RDKit.UInt_List
 
finalize() - Method in class org.RDKit.UInt_Pair
 
finalize() - Method in class org.RDKit.UInt_Pair_Vect
 
finalize() - Method in class org.RDKit.UInt_Vect
 
finalize() - Method in class org.RDKit.UIntMolMap
 
finalize() - Method in class org.RDKit.UIntPair
 
finalize() - Method in class org.RDKit.UIntPairVect
 
finalize() - Method in class org.RDKit.ValueErrorException
 
finalize() - Method in class org.RDKit.vdWContrib
 
findAllPathsOfLengthN(ROMol, long, boolean, boolean, int) - Static method in class org.RDKit.RDKFuncs
 
findAllPathsOfLengthN(ROMol, long, boolean, boolean) - Static method in class org.RDKit.RDKFuncs
 
findAllPathsOfLengthN(ROMol, long, boolean) - Static method in class org.RDKit.RDKFuncs
 
findAllPathsOfLengthN(ROMol, long) - Static method in class org.RDKit.RDKFuncs
 
findAllPathsOfLengthN__SWIG_0(long, ROMol, long, boolean, boolean, int) - Static method in class org.RDKit.RDKFuncsJNI
 
findAllPathsOfLengthN__SWIG_1(long, ROMol, long, boolean, boolean) - Static method in class org.RDKit.RDKFuncsJNI
 
findAllPathsOfLengthN__SWIG_2(long, ROMol, long, boolean) - Static method in class org.RDKit.RDKFuncsJNI
 
findAllPathsOfLengthN__SWIG_3(long, ROMol, long) - Static method in class org.RDKit.RDKFuncsJNI
 
findAllPathsOfLengthsMtoN(ROMol, long, long, boolean, boolean, int) - Static method in class org.RDKit.RDKFuncs
 
findAllPathsOfLengthsMtoN(ROMol, long, long, boolean, boolean) - Static method in class org.RDKit.RDKFuncs
 
findAllPathsOfLengthsMtoN(ROMol, long, long, boolean) - Static method in class org.RDKit.RDKFuncs
 
findAllPathsOfLengthsMtoN(ROMol, long, long) - Static method in class org.RDKit.RDKFuncs
 
findAllPathsOfLengthsMtoN__SWIG_0(long, ROMol, long, long, boolean, boolean, int) - Static method in class org.RDKit.RDKFuncsJNI
 
findAllPathsOfLengthsMtoN__SWIG_1(long, ROMol, long, long, boolean, boolean) - Static method in class org.RDKit.RDKFuncsJNI
 
findAllPathsOfLengthsMtoN__SWIG_2(long, ROMol, long, long, boolean) - Static method in class org.RDKit.RDKFuncsJNI
 
findAllPathsOfLengthsMtoN__SWIG_3(long, ROMol, long, long) - Static method in class org.RDKit.RDKFuncsJNI
 
findAllSubgraphsOfLengthN(ROMol, long, boolean, int) - Static method in class org.RDKit.RDKFuncs
 
findAllSubgraphsOfLengthN(ROMol, long, boolean) - Static method in class org.RDKit.RDKFuncs
 
findAllSubgraphsOfLengthN(ROMol, long) - Static method in class org.RDKit.RDKFuncs
 
findAllSubgraphsOfLengthN__SWIG_0(long, ROMol, long, boolean, int) - Static method in class org.RDKit.RDKFuncsJNI
 
findAllSubgraphsOfLengthN__SWIG_1(long, ROMol, long, boolean) - Static method in class org.RDKit.RDKFuncsJNI
 
findAllSubgraphsOfLengthN__SWIG_2(long, ROMol, long) - Static method in class org.RDKit.RDKFuncsJNI
 
findAllSubgraphsOfLengthsMtoN(ROMol, long, long, boolean, int) - Static method in class org.RDKit.RDKFuncs
 
findAllSubgraphsOfLengthsMtoN(ROMol, long, long, boolean) - Static method in class org.RDKit.RDKFuncs
 
findAllSubgraphsOfLengthsMtoN(ROMol, long, long) - Static method in class org.RDKit.RDKFuncs
 
findAllSubgraphsOfLengthsMtoN__SWIG_0(long, ROMol, long, long, boolean, int) - Static method in class org.RDKit.RDKFuncsJNI
 
findAllSubgraphsOfLengthsMtoN__SWIG_1(long, ROMol, long, long, boolean) - Static method in class org.RDKit.RDKFuncsJNI
 
findAllSubgraphsOfLengthsMtoN__SWIG_2(long, ROMol, long, long) - Static method in class org.RDKit.RDKFuncsJNI
 
findAtomEnvironmentOfRadiusN(ROMol, long, long, boolean) - Static method in class org.RDKit.RDKFuncs
 
findAtomEnvironmentOfRadiusN(ROMol, long, long) - Static method in class org.RDKit.RDKFuncs
 
findAtomEnvironmentOfRadiusN__SWIG_0(long, ROMol, long, long, boolean) - Static method in class org.RDKit.RDKFuncsJNI
 
findAtomEnvironmentOfRadiusN__SWIG_1(long, ROMol, long, long) - Static method in class org.RDKit.RDKFuncsJNI
 
findMCS(ROMol_Vect) - Static method in class org.RDKit.RDKFuncs
 
findMCS(ROMol_Vect, boolean, double, long, boolean, boolean, boolean, boolean, boolean, AtomComparator, BondComparator, RingComparator) - Static method in class org.RDKit.RDKFuncs
 
findMCS(ROMol_Vect, boolean, double, long, boolean, boolean, boolean, boolean, boolean, AtomComparator, BondComparator) - Static method in class org.RDKit.RDKFuncs
 
findMCS(ROMol_Vect, boolean, double, long, boolean, boolean, boolean, boolean, boolean, AtomComparator) - Static method in class org.RDKit.RDKFuncs
 
findMCS(ROMol_Vect, boolean, double, long, boolean, boolean, boolean, boolean, boolean) - Static method in class org.RDKit.RDKFuncs
 
findMCS(ROMol_Vect, boolean, double, long, boolean, boolean, boolean, boolean) - Static method in class org.RDKit.RDKFuncs
 
findMCS(ROMol_Vect, boolean, double, long, boolean, boolean, boolean) - Static method in class org.RDKit.RDKFuncs
 
findMCS(ROMol_Vect, boolean, double, long, boolean, boolean) - Static method in class org.RDKit.RDKFuncs
 
findMCS(ROMol_Vect, boolean, double, long, boolean) - Static method in class org.RDKit.RDKFuncs
 
findMCS(ROMol_Vect, boolean, double, long) - Static method in class org.RDKit.RDKFuncs
 
findMCS(ROMol_Vect, boolean, double) - Static method in class org.RDKit.RDKFuncs
 
findMCS(ROMol_Vect, boolean) - Static method in class org.RDKit.RDKFuncs
 
findMCS__SWIG_0(long, ROMol_Vect) - Static method in class org.RDKit.RDKFuncsJNI
 
findMCS__SWIG_1(long, ROMol_Vect, boolean, double, long, boolean, boolean, boolean, boolean, boolean, int, int, int) - Static method in class org.RDKit.RDKFuncsJNI
 
findMCS__SWIG_10(long, ROMol_Vect, boolean, double) - Static method in class org.RDKit.RDKFuncsJNI
 
findMCS__SWIG_11(long, ROMol_Vect, boolean) - Static method in class org.RDKit.RDKFuncsJNI
 
findMCS__SWIG_2(long, ROMol_Vect, boolean, double, long, boolean, boolean, boolean, boolean, boolean, int, int) - Static method in class org.RDKit.RDKFuncsJNI
 
findMCS__SWIG_3(long, ROMol_Vect, boolean, double, long, boolean, boolean, boolean, boolean, boolean, int) - Static method in class org.RDKit.RDKFuncsJNI
 
findMCS__SWIG_4(long, ROMol_Vect, boolean, double, long, boolean, boolean, boolean, boolean, boolean) - Static method in class org.RDKit.RDKFuncsJNI
 
findMCS__SWIG_5(long, ROMol_Vect, boolean, double, long, boolean, boolean, boolean, boolean) - Static method in class org.RDKit.RDKFuncsJNI
 
findMCS__SWIG_6(long, ROMol_Vect, boolean, double, long, boolean, boolean, boolean) - Static method in class org.RDKit.RDKFuncsJNI
 
findMCS__SWIG_7(long, ROMol_Vect, boolean, double, long, boolean, boolean) - Static method in class org.RDKit.RDKFuncsJNI
 
findMCS__SWIG_8(long, ROMol_Vect, boolean, double, long, boolean) - Static method in class org.RDKit.RDKFuncsJNI
 
findMCS__SWIG_9(long, ROMol_Vect, boolean, double, long) - Static method in class org.RDKit.RDKFuncsJNI
 
findMCS_P(ROMol_Vect, String) - Static method in class org.RDKit.RDKFuncs
 
findMCS_P(long, ROMol_Vect, String) - Static method in class org.RDKit.RDKFuncsJNI
 
findPotentialStereoBonds(ROMol, boolean) - Static method in class org.RDKit.RDKFuncs
finds bonds that could be cis/trans in a molecule and mark them as Bond::STEREOANY
findPotentialStereoBonds(ROMol) - Static method in class org.RDKit.RDKFuncs
finds bonds that could be cis/trans in a molecule and mark them as Bond::STEREOANY
findPotentialStereoBonds__SWIG_0(long, ROMol, boolean) - Static method in class org.RDKit.RDKFuncsJNI
 
findPotentialStereoBonds__SWIG_1(long, ROMol) - Static method in class org.RDKit.RDKFuncsJNI
 
findSSSR(ROMol, Int_Vect_Vect) - Static method in class org.RDKit.RDKFuncs
 
findSSSR(ROMol) - Static method in class org.RDKit.RDKFuncs
This is an overloaded member function, provided for convenience.
findSSSR(Int_Vect_Vect) - Method in class org.RDKit.ROMol
 
findSSSR() - Method in class org.RDKit.ROMol
 
findSSSR__SWIG_0(long, ROMol, long, Int_Vect_Vect) - Static method in class org.RDKit.RDKFuncsJNI
 
findSSSR__SWIG_2(long, ROMol) - Static method in class org.RDKit.RDKFuncsJNI
 
findUniqueSubgraphsOfLengthN(ROMol, long, boolean, boolean, int) - Static method in class org.RDKit.RDKFuncs
 
findUniqueSubgraphsOfLengthN(ROMol, long, boolean, boolean) - Static method in class org.RDKit.RDKFuncs
 
findUniqueSubgraphsOfLengthN(ROMol, long, boolean) - Static method in class org.RDKit.RDKFuncs
 
findUniqueSubgraphsOfLengthN(ROMol, long) - Static method in class org.RDKit.RDKFuncs
 
findUniqueSubgraphsOfLengthN__SWIG_0(long, ROMol, long, boolean, boolean, int) - Static method in class org.RDKit.RDKFuncsJNI
 
findUniqueSubgraphsOfLengthN__SWIG_1(long, ROMol, long, boolean, boolean) - Static method in class org.RDKit.RDKFuncsJNI
 
findUniqueSubgraphsOfLengthN__SWIG_2(long, ROMol, long, boolean) - Static method in class org.RDKit.RDKFuncsJNI
 
findUniqueSubgraphsOfLengthN__SWIG_3(long, ROMol, long) - Static method in class org.RDKit.RDKFuncsJNI
 
FingerprintType - Enum in org.RDKit
 
finishDrawing() - Method in class org.RDKit.MolDraw2DSVG
 
finishPartialBond(long, int, Bond.BondType) - Method in class org.RDKit.RWMol
finishes a partially constructed bond
finishPartialBond(long, int) - Method in class org.RDKit.RWMol
finishes a partially constructed bond
fixedPoints() - Method in class org.RDKit.ForceField
 
Flagged_Atomic_Params_Vect - Class in org.RDKit
 
Flagged_Atomic_Params_Vect(long, boolean) - Constructor for class org.RDKit.Flagged_Atomic_Params_Vect
 
Flagged_Atomic_Params_Vect() - Constructor for class org.RDKit.Flagged_Atomic_Params_Vect
 
Flagged_Atomic_Params_Vect(Atomic_Params_Vect, boolean) - Constructor for class org.RDKit.Flagged_Atomic_Params_Vect
 
Flagged_Atomic_Params_Vect(Flagged_Atomic_Params_Vect) - Constructor for class org.RDKit.Flagged_Atomic_Params_Vect
 
Flagged_Atomic_Params_Vect_first_get(long, Flagged_Atomic_Params_Vect) - Static method in class org.RDKit.RDKFuncsJNI
 
Flagged_Atomic_Params_Vect_first_set(long, Flagged_Atomic_Params_Vect, long, Atomic_Params_Vect) - Static method in class org.RDKit.RDKFuncsJNI
 
Flagged_Atomic_Params_Vect_second_get(long, Flagged_Atomic_Params_Vect) - Static method in class org.RDKit.RDKFuncsJNI
 
Flagged_Atomic_Params_Vect_second_set(long, Flagged_Atomic_Params_Vect, boolean) - Static method in class org.RDKit.RDKFuncsJNI
 
flags() - Method in class org.RDKit.ResonanceMolSupplier
 
Float_Pair - Class in org.RDKit
 
Float_Pair(long, boolean) - Constructor for class org.RDKit.Float_Pair
 
Float_Pair() - Constructor for class org.RDKit.Float_Pair
 
Float_Pair(float, float) - Constructor for class org.RDKit.Float_Pair
 
Float_Pair(Float_Pair) - Constructor for class org.RDKit.Float_Pair
 
Float_Pair_first_get(long, Float_Pair) - Static method in class org.RDKit.RDKFuncsJNI
 
Float_Pair_first_set(long, Float_Pair, float) - Static method in class org.RDKit.RDKFuncsJNI
 
Float_Pair_second_get(long, Float_Pair) - Static method in class org.RDKit.RDKFuncsJNI
 
Float_Pair_second_set(long, Float_Pair, float) - Static method in class org.RDKit.RDKFuncsJNI
 
Float_Pair_Vect - Class in org.RDKit
 
Float_Pair_Vect(long, boolean) - Constructor for class org.RDKit.Float_Pair_Vect
 
Float_Pair_Vect() - Constructor for class org.RDKit.Float_Pair_Vect
 
Float_Pair_Vect(long) - Constructor for class org.RDKit.Float_Pair_Vect
 
Float_Pair_Vect_add(long, Float_Pair_Vect, long, Float_Pair) - Static method in class org.RDKit.RDKFuncsJNI
 
Float_Pair_Vect_capacity(long, Float_Pair_Vect) - Static method in class org.RDKit.RDKFuncsJNI
 
Float_Pair_Vect_clear(long, Float_Pair_Vect) - Static method in class org.RDKit.RDKFuncsJNI
 
Float_Pair_Vect_equals(long, Float_Pair_Vect, long, Float_Pair_Vect) - Static method in class org.RDKit.RDKFuncsJNI
 
Float_Pair_Vect_get(long, Float_Pair_Vect, int) - Static method in class org.RDKit.RDKFuncsJNI
 
Float_Pair_Vect_isEmpty(long, Float_Pair_Vect) - Static method in class org.RDKit.RDKFuncsJNI
 
Float_Pair_Vect_reserve(long, Float_Pair_Vect, long) - Static method in class org.RDKit.RDKFuncsJNI
 
Float_Pair_Vect_set(long, Float_Pair_Vect, int, long, Float_Pair) - Static method in class org.RDKit.RDKFuncsJNI
 
Float_Pair_Vect_size(long, Float_Pair_Vect) - Static method in class org.RDKit.RDKFuncsJNI
 
flush() - Method in class org.RDKit.MolWriter
 
flush() - Method in class org.RDKit.PDBWriter
 
flush() - Method in class org.RDKit.SDWriter
 
flush() - Method in class org.RDKit.SmilesWriter
 
flush() - Method in class org.RDKit.TDTWriter
 
FoldFingerprint(ExplicitBitVect, long) - Static method in class org.RDKit.RDKFuncs
 
FoldFingerprint(ExplicitBitVect) - Static method in class org.RDKit.RDKFuncs
 
FoldFingerprint__SWIG_2(long, ExplicitBitVect, long) - Static method in class org.RDKit.RDKFuncsJNI
 
FoldFingerprint__SWIG_3(long, ExplicitBitVect) - Static method in class org.RDKit.RDKFuncsJNI
 
fontSize() - Method in class org.RDKit.MolDraw2D
 
ForceField - Class in org.RDKit
 
ForceField(long, boolean) - Constructor for class org.RDKit.ForceField
 
ForceField(long) - Constructor for class org.RDKit.ForceField
 
ForceField() - Constructor for class org.RDKit.ForceField
 
ForceField(ForceField) - Constructor for class org.RDKit.ForceField
 
ForceField_calcEnergy__SWIG_0(long, ForceField, long, Double_Vect) - Static method in class org.RDKit.RDKFuncsJNI
 
ForceField_calcEnergy__SWIG_1(long, ForceField) - Static method in class org.RDKit.RDKFuncsJNI
 
ForceField_calcEnergy__SWIG_2(long, ForceField, long) - Static method in class org.RDKit.RDKFuncsJNI
 
ForceField_calcGrad__SWIG_0(long, ForceField, long) - Static method in class org.RDKit.RDKFuncsJNI
 
ForceField_calcGrad__SWIG_1(long, ForceField, long, long) - Static method in class org.RDKit.RDKFuncsJNI
 
ForceField_contribs__SWIG_0(long, ForceField) - Static method in class org.RDKit.RDKFuncsJNI
 
ForceField_dimension(long, ForceField) - Static method in class org.RDKit.RDKFuncsJNI
 
ForceField_distance__SWIG_0(long, ForceField, long, long, long) - Static method in class org.RDKit.RDKFuncsJNI
 
ForceField_distance__SWIG_1(long, ForceField, long, long) - Static method in class org.RDKit.RDKFuncsJNI
 
ForceField_fixedPoints__SWIG_0(long, ForceField) - Static method in class org.RDKit.RDKFuncsJNI
 
ForceField_initialize(long, ForceField) - Static method in class org.RDKit.RDKFuncsJNI
 
ForceField_minimize__SWIG_0(long, ForceField, long, long, long, double, double) - Static method in class org.RDKit.RDKFuncsJNI
 
ForceField_minimize__SWIG_1(long, ForceField, long, long, long, double) - Static method in class org.RDKit.RDKFuncsJNI
 
ForceField_minimize__SWIG_2(long, ForceField, long, long, long) - Static method in class org.RDKit.RDKFuncsJNI
 
ForceField_minimize__SWIG_3(long, ForceField, long, long) - Static method in class org.RDKit.RDKFuncsJNI
 
ForceField_minimize__SWIG_4(long, ForceField, long, double, double) - Static method in class org.RDKit.RDKFuncsJNI
 
ForceField_minimize__SWIG_5(long, ForceField, long, double) - Static method in class org.RDKit.RDKFuncsJNI
 
ForceField_minimize__SWIG_6(long, ForceField, long) - Static method in class org.RDKit.RDKFuncsJNI
 
ForceField_minimize__SWIG_7(long, ForceField) - Static method in class org.RDKit.RDKFuncsJNI
 
ForceField_MMFFGetMoleculeForceField__SWIG_0(long, ROMol, String, double, int, boolean) - Static method in class org.RDKit.RDKFuncsJNI
 
ForceField_MMFFGetMoleculeForceField__SWIG_1(long, ROMol, String, double, int) - Static method in class org.RDKit.RDKFuncsJNI
 
ForceField_MMFFGetMoleculeForceField__SWIG_2(long, ROMol, String, double) - Static method in class org.RDKit.RDKFuncsJNI
 
ForceField_MMFFGetMoleculeForceField__SWIG_3(long, ROMol, String) - Static method in class org.RDKit.RDKFuncsJNI
 
ForceField_MMFFGetMoleculeForceField__SWIG_4(long, ROMol) - Static method in class org.RDKit.RDKFuncsJNI
 
ForceField_MMFFHasAllMoleculeParams(long, ROMol) - Static method in class org.RDKit.RDKFuncsJNI
 
ForceField_MMFFOptimizeMolecule__SWIG_0(long, ROMol, String, int, double, int, boolean) - Static method in class org.RDKit.RDKFuncsJNI
 
ForceField_MMFFOptimizeMolecule__SWIG_1(long, ROMol, String, int, double, int) - Static method in class org.RDKit.RDKFuncsJNI
 
ForceField_MMFFOptimizeMolecule__SWIG_2(long, ROMol, String, int, double) - Static method in class org.RDKit.RDKFuncsJNI
 
ForceField_MMFFOptimizeMolecule__SWIG_3(long, ROMol, String, int) - Static method in class org.RDKit.RDKFuncsJNI
 
ForceField_MMFFOptimizeMolecule__SWIG_4(long, ROMol, String) - Static method in class org.RDKit.RDKFuncsJNI
 
ForceField_MMFFOptimizeMolecule__SWIG_5(long, ROMol) - Static method in class org.RDKit.RDKFuncsJNI
 
ForceField_numPoints(long, ForceField) - Static method in class org.RDKit.RDKFuncsJNI
 
ForceField_positions3D(long, ForceField) - Static method in class org.RDKit.RDKFuncsJNI
 
ForceField_UFFAddAtomChargeFlags__SWIG_0(long, Atom, long, boolean) - Static method in class org.RDKit.RDKFuncsJNI
 
ForceField_UFFAddAtomChargeFlags__SWIG_1(long, Atom, long) - Static method in class org.RDKit.RDKFuncsJNI
 
ForceField_UFFGetAtomLabel(long, Atom) - Static method in class org.RDKit.RDKFuncsJNI
 
ForceField_UFFGetAtomTypes__SWIG_0(long, ROMol, String) - Static method in class org.RDKit.RDKFuncsJNI
 
ForceField_UFFGetAtomTypes__SWIG_1(long, ROMol) - Static method in class org.RDKit.RDKFuncsJNI
 
ForceField_UFFGetMoleculeForceField__SWIG_0(long, ROMol, double, int, boolean) - Static method in class org.RDKit.RDKFuncsJNI
 
ForceField_UFFGetMoleculeForceField__SWIG_1(long, ROMol, double, int) - Static method in class org.RDKit.RDKFuncsJNI
 
ForceField_UFFGetMoleculeForceField__SWIG_2(long, ROMol, double) - Static method in class org.RDKit.RDKFuncsJNI
 
ForceField_UFFGetMoleculeForceField__SWIG_3(long, ROMol) - Static method in class org.RDKit.RDKFuncsJNI
 
ForceField_UFFHasAllMoleculeParams(long, ROMol) - Static method in class org.RDKit.RDKFuncsJNI
 
ForceField_UFFOptimizeMolecule__SWIG_0(long, ROMol, int, double, int, boolean) - Static method in class org.RDKit.RDKFuncsJNI
 
ForceField_UFFOptimizeMolecule__SWIG_1(long, ROMol, int, double, int) - Static method in class org.RDKit.RDKFuncsJNI
 
ForceField_UFFOptimizeMolecule__SWIG_2(long, ROMol, int, double) - Static method in class org.RDKit.RDKFuncsJNI
 
ForceField_UFFOptimizeMolecule__SWIG_3(long, ROMol, int) - Static method in class org.RDKit.RDKFuncsJNI
 
ForceField_UFFOptimizeMolecule__SWIG_4(long, ROMol) - Static method in class org.RDKit.RDKFuncsJNI
 
ForceFieldContrib - Class in org.RDKit
 
ForceFieldContrib(long, boolean) - Constructor for class org.RDKit.ForceFieldContrib
 
ForceFieldContrib_copy(long, ForceFieldContrib) - Static method in class org.RDKit.RDKFuncsJNI
 
ForceFieldContrib_getEnergy(long, ForceFieldContrib, long) - Static method in class org.RDKit.RDKFuncsJNI
 
ForceFieldContrib_getGrad(long, ForceFieldContrib, long, long) - Static method in class org.RDKit.RDKFuncsJNI
 
ForwardSDMolSupplier - Class in org.RDKit
 
ForwardSDMolSupplier(long, boolean) - Constructor for class org.RDKit.ForwardSDMolSupplier
 
ForwardSDMolSupplier() - Constructor for class org.RDKit.ForwardSDMolSupplier
 
ForwardSDMolSupplier(SWIGTYPE_p_std__istream, boolean, boolean, boolean, boolean) - Constructor for class org.RDKit.ForwardSDMolSupplier
 
ForwardSDMolSupplier(SWIGTYPE_p_std__istream, boolean, boolean, boolean) - Constructor for class org.RDKit.ForwardSDMolSupplier
 
ForwardSDMolSupplier(SWIGTYPE_p_std__istream, boolean, boolean) - Constructor for class org.RDKit.ForwardSDMolSupplier
 
ForwardSDMolSupplier(SWIGTYPE_p_std__istream, boolean) - Constructor for class org.RDKit.ForwardSDMolSupplier
 
ForwardSDMolSupplier(SWIGTYPE_p_std__istream) - Constructor for class org.RDKit.ForwardSDMolSupplier
 
ForwardSDMolSupplier(gzstream, boolean, boolean, boolean) - Constructor for class org.RDKit.ForwardSDMolSupplier
 
ForwardSDMolSupplier(gzstream, boolean, boolean) - Constructor for class org.RDKit.ForwardSDMolSupplier
 
ForwardSDMolSupplier(gzstream, boolean) - Constructor for class org.RDKit.ForwardSDMolSupplier
 
ForwardSDMolSupplier(gzstream) - Constructor for class org.RDKit.ForwardSDMolSupplier
 
ForwardSDMolSupplier_atEnd(long, ForwardSDMolSupplier) - Static method in class org.RDKit.RDKFuncsJNI
 
ForwardSDMolSupplier_getEOFHitOnRead(long, ForwardSDMolSupplier) - Static method in class org.RDKit.RDKFuncsJNI
 
ForwardSDMolSupplier_getProcessPropertyLists(long, ForwardSDMolSupplier) - Static method in class org.RDKit.RDKFuncsJNI
 
ForwardSDMolSupplier_init(long, ForwardSDMolSupplier) - Static method in class org.RDKit.RDKFuncsJNI
 
ForwardSDMolSupplier_next(long, ForwardSDMolSupplier) - Static method in class org.RDKit.RDKFuncsJNI
 
ForwardSDMolSupplier_reset(long, ForwardSDMolSupplier) - Static method in class org.RDKit.RDKFuncsJNI
 
ForwardSDMolSupplier_setProcessPropertyLists(long, ForwardSDMolSupplier, boolean) - Static method in class org.RDKit.RDKFuncsJNI
 
ForwardSDMolSupplier_SWIGUpcast(long) - Static method in class org.RDKit.RDKFuncsJNI
 
FPHolderBase - Class in org.RDKit
 
FPHolderBase(long, boolean) - Constructor for class org.RDKit.FPHolderBase
 
FPHolderBase_addFingerprint(long, FPHolderBase, long, ExplicitBitVect) - Static method in class org.RDKit.RDKFuncsJNI
 
FPHolderBase_addMol(long, FPHolderBase, long, ROMol) - Static method in class org.RDKit.RDKFuncsJNI
 
FPHolderBase_getFingerprint(long, FPHolderBase, long) - Static method in class org.RDKit.RDKFuncsJNI
 
FPHolderBase_getFingerprints__SWIG_0(long, FPHolderBase) - Static method in class org.RDKit.RDKFuncsJNI
 
FPHolderBase_makeFingerprint(long, FPHolderBase, long, ROMol) - Static method in class org.RDKit.RDKFuncsJNI
 
FPHolderBase_passesFilter(long, FPHolderBase, long, long, ExplicitBitVect) - Static method in class org.RDKit.RDKFuncsJNI
 
FractionCSP3Version_get() - Static method in class org.RDKit.RDKFuncsJNI
 
FragmenterBondType - Class in org.RDKit
 
FragmenterBondType(long, boolean) - Constructor for class org.RDKit.FragmenterBondType
 
FragmenterBondType() - Constructor for class org.RDKit.FragmenterBondType
 
FragmenterBondType_atom1Label_get(long, FragmenterBondType) - Static method in class org.RDKit.RDKFuncsJNI
 
FragmenterBondType_atom1Label_set(long, FragmenterBondType, long) - Static method in class org.RDKit.RDKFuncsJNI
 
FragmenterBondType_atom1Type_get(long, FragmenterBondType) - Static method in class org.RDKit.RDKFuncsJNI
 
FragmenterBondType_atom1Type_set(long, FragmenterBondType, long) - Static method in class org.RDKit.RDKFuncsJNI
 
FragmenterBondType_atom2Label_get(long, FragmenterBondType) - Static method in class org.RDKit.RDKFuncsJNI
 
FragmenterBondType_atom2Label_set(long, FragmenterBondType, long) - Static method in class org.RDKit.RDKFuncsJNI
 
FragmenterBondType_atom2Type_get(long, FragmenterBondType) - Static method in class org.RDKit.RDKFuncsJNI
 
FragmenterBondType_atom2Type_set(long, FragmenterBondType, long) - Static method in class org.RDKit.RDKFuncsJNI
 
FragmenterBondType_bondType_get(long, FragmenterBondType) - Static method in class org.RDKit.RDKFuncsJNI
 
FragmenterBondType_bondType_set(long, FragmenterBondType, int) - Static method in class org.RDKit.RDKFuncsJNI
 
FragmenterBondType_query_get(long, FragmenterBondType) - Static method in class org.RDKit.RDKFuncsJNI
 
FragmenterBondType_query_set(long, FragmenterBondType, long, ROMol) - Static method in class org.RDKit.RDKFuncsJNI
 
fragmentOnBRICSBonds(ROMol) - Static method in class org.RDKit.RDKFuncs
 
fragmentOnBRICSBonds(long, ROMol) - Static method in class org.RDKit.RDKFuncsJNI
 
fragmentParent(RWMol, CleanupParameters, boolean) - Static method in class org.RDKit.RDKFuncs
 
fragmentParent(RWMol, CleanupParameters) - Static method in class org.RDKit.RDKFuncs
 
fragmentParent(RWMol) - Static method in class org.RDKit.RDKFuncs
 
fragmentParent__SWIG_0(long, RWMol, long, CleanupParameters, boolean) - Static method in class org.RDKit.RDKFuncsJNI
 
fragmentParent__SWIG_1(long, RWMol, long, CleanupParameters) - Static method in class org.RDKit.RDKFuncsJNI
 
fragmentParent__SWIG_2(long, RWMol) - Static method in class org.RDKit.RDKFuncsJNI
 
FromBitString(ExplicitBitVect, String) - Static method in class org.RDKit.RDKFuncs
 
FromBitString(long, ExplicitBitVect, String) - Static method in class org.RDKit.RDKFuncsJNI
 
fromByteArray(byte[]) - Static method in class org.RDKit.ExplicitBitVect
 
FromDaylightString(ExplicitBitVect, String) - Static method in class org.RDKit.RDKFuncs
 
FromDaylightString(long, ExplicitBitVect, String) - Static method in class org.RDKit.RDKFuncsJNI
 
frompointer(SWIGTYPE_p_double) - Static method in class org.RDKit.Double_Array
 
fromString(String) - Method in class org.RDKit.SparseIntVect32
 
fromString(String) - Method in class org.RDKit.SparseIntVect64
 
fromString(String) - Method in class org.RDKit.SparseIntVectu32
 

G

G_get() - Static method in class org.RDKit.RDKFuncsJNI
 
generateBondHashes(ROMol, SWIGTYPE_p_boost__dynamic_bitsetT_t, SWIGTYPE_p_std__vectorT_RDKit__Bond_const_p_t, SWIGTYPE_p_std__vectorT_short_t, Int_Vect, boolean, UInt_Vect) - Static method in class org.RDKit.RDKFuncs
 
generateBondHashes(long, ROMol, long, long, long, long, Int_Vect, boolean, long, UInt_Vect) - Static method in class org.RDKit.RDKFuncsJNI
 
generateDepictionMatching2DStructure(ROMol, int, boolean, boolean) - Method in class org.RDKit.ROMol
 
generateDepictionMatching2DStructure(ROMol, int, boolean) - Method in class org.RDKit.ROMol
 
generateDepictionMatching2DStructure(ROMol, int) - Method in class org.RDKit.ROMol
 
generateDepictionMatching2DStructure(ROMol) - Method in class org.RDKit.ROMol
 
generateDepictionMatching2DStructure(ROMol, int, ROMol, boolean, boolean) - Method in class org.RDKit.ROMol
 
generateDepictionMatching2DStructure(ROMol, int, ROMol, boolean) - Method in class org.RDKit.ROMol
 
generateDepictionMatching2DStructure(ROMol, int, ROMol) - Method in class org.RDKit.ROMol
 
GenericRDKitException - Exception in org.RDKit
 
GenericRDKitException(long, boolean) - Constructor for exception org.RDKit.GenericRDKitException
 
GenericRDKitException(String) - Constructor for exception org.RDKit.GenericRDKitException
 
GenericRDKitException_message(long, GenericRDKitException) - Static method in class org.RDKit.RDKFuncsJNI
 
get(int) - Method in class org.RDKit.Atom_Vect
 
get(int) - Method in class org.RDKit.Atomic_Params_Vect
 
get(long) - Method in class org.RDKit.BitInfoMap
 
get(int) - Method in class org.RDKit.Bond_Vect
 
get(int) - Method in class org.RDKit.Byte_Vect
 
get(int) - Method in class org.RDKit.ColourPalette
 
get(int) - Method in class org.RDKit.Double_Vect
 
get(int) - Method in class org.RDKit.EBV_Vect
 
get(int) - Method in class org.RDKit.FF_Contrib_Vect
 
get(int) - Method in class org.RDKit.FilterCatalogEntry_Vect
 
get(int) - Method in class org.RDKit.FilterCatalogEntry_VectVect
 
get(int) - Method in class org.RDKit.FilterCatalogEntryVect
 
get(int) - Method in class org.RDKit.FilterMatch_Vect
 
get(int) - Method in class org.RDKit.Float_Pair_Vect
 
get(int) - Method in class org.RDKit.Int_Double_Map
 
get(int) - Method in class org.RDKit.Int_Int_Map
 
get(int) - Method in class org.RDKit.Int_Int_Vect_List_Map
 
get(int) - Method in class org.RDKit.Int_Int_Vect_Map
 
get(int) - Method in class org.RDKit.Int_List
 
get(int) - Method in class org.RDKit.Int_Point2D_Map
 
get(int) - Method in class org.RDKit.Int_Point3D_Map
 
get(int) - Method in class org.RDKit.Int_String_Map
 
get(int) - Method in class org.RDKit.Int_Vect
 
get(int) - Method in class org.RDKit.Int_Vect_List
 
get(int) - Method in class org.RDKit.Int_Vect_Vect
 
get(int) - Method in class org.RDKit.Long_Pair_Vect
 
get(int) - Method in class org.RDKit.Match_Vect
 
get(int) - Method in class org.RDKit.Match_Vect_Vect
 
get(int) - Method in class org.RDKit.MolSanitizeException_Vect
 
get(String) - Method in class org.RDKit.ParamCollection
 
get(int) - Method in class org.RDKit.Point2D_Vect
 
get(int) - Method in class org.RDKit.Point3D_Vect
 
get(int) - Method in class org.RDKit.Point_Vect
 
get(int) - Method in class org.RDKit.ROMol_Vect
 
get(int) - Method in class org.RDKit.ROMol_Vect_Vect
 
get() - Method in class org.RDKit.Shared_Double_Array
 
get() - Method in class org.RDKit.Shared_Int_Array
 
get(int) - Method in class org.RDKit.StereoGroup_Vect
 
get(int) - Method in class org.RDKit.Str_Vect
 
get(String) - Method in class org.RDKit.String_String_Map
 
get(String) - Method in class org.RDKit.StringMolMap
 
get(int) - Method in class org.RDKit.StringMolMap_Vect
 
get(String) - Method in class org.RDKit.StringROMol_VectMap
 
get(int) - Method in class org.RDKit.UChar_Vect
 
get(int) - Method in class org.RDKit.UInt_List
 
get(int) - Method in class org.RDKit.UInt_Pair_Vect
 
get(int) - Method in class org.RDKit.UInt_Vect
 
get(long) - Method in class org.RDKit.UIntMolMap
 
get(int) - Method in class org.RDKit.UIntPairVect
 
get3DDistanceMat(ROMol, int, boolean, boolean, String) - Static method in class org.RDKit.RDKFuncs
 
get3DDistanceMat(ROMol, int, boolean, boolean) - Static method in class org.RDKit.RDKFuncs
 
get3DDistanceMat(ROMol, int, boolean) - Static method in class org.RDKit.RDKFuncs
 
get3DDistanceMat(ROMol, int) - Static method in class org.RDKit.RDKFuncs
 
get3DDistanceMat(ROMol) - Static method in class org.RDKit.RDKFuncs
 
get3DDistanceMat__SWIG_0(long, ROMol, int, boolean, boolean, String) - Static method in class org.RDKit.RDKFuncsJNI
 
get3DDistanceMat__SWIG_1(long, ROMol, int, boolean, boolean) - Static method in class org.RDKit.RDKFuncsJNI
 
get3DDistanceMat__SWIG_2(long, ROMol, int, boolean) - Static method in class org.RDKit.RDKFuncsJNI
 
get3DDistanceMat__SWIG_3(long, ROMol, int) - Static method in class org.RDKit.RDKFuncsJNI
 
get3DDistanceMat__SWIG_4(long, ROMol) - Static method in class org.RDKit.RDKFuncsJNI
 
get_2DConf() - Static method in class org.RDKit.RDKFuncs
 
get_3DConf() - Static method in class org.RDKit.RDKFuncs
 
get_AtomID() - Static method in class org.RDKit.RDKFuncs
 
get_BondsPotentialStereo() - Static method in class org.RDKit.RDKFuncs
 
get_brokenChirality() - Static method in class org.RDKit.RDKFuncs
 
get_ChiralityPossible() - Static method in class org.RDKit.RDKFuncs
 
get_CIPCode() - Static method in class org.RDKit.RDKFuncs
 
get_CIPRank() - Static method in class org.RDKit.RDKFuncs
 
get_connectivityHKDeltas() - Static method in class org.RDKit.RDKFuncs
 
get_connectivityNVals() - Static method in class org.RDKit.RDKFuncs
 
get_crippenLogP() - Static method in class org.RDKit.RDKFuncs
 
get_CrippenLogP() - Static method in class org.RDKit.RDKFuncs
 
get_crippenLogPContribs() - Static method in class org.RDKit.RDKFuncs
 
get_crippenMR() - Static method in class org.RDKit.RDKFuncs
 
get_CrippenMR() - Static method in class org.RDKit.RDKFuncs
 
get_crippenMRContribs() - Static method in class org.RDKit.RDKFuncs
 
get_doIsoSmiles() - Static method in class org.RDKit.RDKFuncs
 
get_fragSMARTS() - Static method in class org.RDKit.RDKFuncs
 
get_GasteigerCharge() - Static method in class org.RDKit.RDKFuncs
 
get_GasteigerHCharge() - Static method in class org.RDKit.RDKFuncs
 
get_hasMassQuery() - Static method in class org.RDKit.RDKFuncs
 
get_labuteASA() - Static method in class org.RDKit.RDKFuncs
 
get_labuteAtomContribs() - Static method in class org.RDKit.RDKFuncs
 
get_labuteAtomHContrib() - Static method in class org.RDKit.RDKFuncs
 
get_MMFFSanitized() - Static method in class org.RDKit.RDKFuncs
 
get_MolFileAtomQuery() - Static method in class org.RDKit.RDKFuncs
 
get_MolFileBondAttach() - Static method in class org.RDKit.RDKFuncs
 
get_MolFileBondCfg() - Static method in class org.RDKit.RDKFuncs
 
get_MolFileBondEndPts() - Static method in class org.RDKit.RDKFuncs
 
get_MolFileBondQuery() - Static method in class org.RDKit.RDKFuncs
 
get_MolFileBondStereo() - Static method in class org.RDKit.RDKFuncs
 
get_MolFileBondType() - Static method in class org.RDKit.RDKFuncs
 
get_MolFileChiralFlag() - Static method in class org.RDKit.RDKFuncs
 
get_MolFileRLabel() - Static method in class org.RDKit.RDKFuncs
 
get_Name() - Static method in class org.RDKit.RDKFuncs
 
get_NeedsQueryScan() - Static method in class org.RDKit.RDKFuncs
 
get_protected() - Static method in class org.RDKit.RDKFuncs
 
get_QueryFormalCharge() - Static method in class org.RDKit.RDKFuncs
 
get_QueryHCount() - Static method in class org.RDKit.RDKFuncs
 
get_QueryIsotope() - Static method in class org.RDKit.RDKFuncs
 
get_QueryMass() - Static method in class org.RDKit.RDKFuncs
 
get_queryRootAtom() - Static method in class org.RDKit.RDKFuncs
 
get_ReactionDegreeChanged() - Static method in class org.RDKit.RDKFuncs
 
get_rgroupAtomMaps() - Static method in class org.RDKit.RDKFuncs
 
get_rgroupBonds() - Static method in class org.RDKit.RDKFuncs
 
get_RingClosures() - Static method in class org.RDKit.RDKFuncs
 
get_ringStereoAtoms() - Static method in class org.RDKit.RDKFuncs
 
get_ringStereochemCand() - Static method in class org.RDKit.RDKFuncs
 
get_ringStereoWarning() - Static method in class org.RDKit.RDKFuncs
 
get_SLN_s() - Static method in class org.RDKit.RDKFuncs
 
get_smilesAtomOutputOrder() - Static method in class org.RDKit.RDKFuncs
 
get_SmilesStart() - Static method in class org.RDKit.RDKFuncs
 
get_starred() - Static method in class org.RDKit.RDKFuncs
 
get_StereochemDone() - Static method in class org.RDKit.RDKFuncs
 
get_supplementalSmilesLabel() - Static method in class org.RDKit.RDKFuncs
 
get_tpsa() - Static method in class org.RDKit.RDKFuncs
 
get_tpsaAtomContribs() - Static method in class org.RDKit.RDKFuncs
 
get_TraversalBondIndexOrder() - Static method in class org.RDKit.RDKFuncs
 
get_TraversalRingClosureBond() - Static method in class org.RDKit.RDKFuncs
 
get_TraversalStartPoint() - Static method in class org.RDKit.RDKFuncs
 
get_TriposAtomType() - Static method in class org.RDKit.RDKFuncs
 
get_Unfinished_SLN_() - Static method in class org.RDKit.RDKFuncs
 
get_UnknownStereo() - Static method in class org.RDKit.RDKFuncs
 
get_unspecifiedOrder() - Static method in class org.RDKit.RDKFuncs
 
getA() - Method in class org.RDKit.DrawColour
 
getAbundanceForIsotope(long, long) - Method in class org.RDKit.PeriodicTable
 
getAbundanceForIsotope(String, long) - Method in class org.RDKit.PeriodicTable
 
getAcidbaseFile() - Method in class org.RDKit.CleanupParameters
 
getActiveAtom() - Method in class org.RDKit.RWMol
getAdditionalAtomLabelPadding() - Method in class org.RDKit.MolDrawOptions
 
getAdjacencyMatrix(ROMol, boolean, int, boolean, String, SWIGTYPE_p_boost__dynamic_bitsetT_t) - Static method in class org.RDKit.RDKFuncs
 
getAdjacencyMatrix(ROMol, boolean, int, boolean, String) - Static method in class org.RDKit.RDKFuncs
returns a molecule's adjacency matrix
getAdjacencyMatrix(ROMol, boolean, int, boolean) - Static method in class org.RDKit.RDKFuncs
returns a molecule's adjacency matrix
getAdjacencyMatrix(ROMol, boolean, int) - Static method in class org.RDKit.RDKFuncs
returns a molecule's adjacency matrix
getAdjacencyMatrix(ROMol, boolean) - Static method in class org.RDKit.RDKFuncs
returns a molecule's adjacency matrix
getAdjacencyMatrix(ROMol) - Static method in class org.RDKit.RDKFuncs
returns a molecule's adjacency matrix
getAdjacencyMatrix(boolean, int, boolean, String) - Method in class org.RDKit.ROMol
 
getAdjacencyMatrix(boolean, int, boolean) - Method in class org.RDKit.ROMol
 
getAdjacencyMatrix(boolean, int) - Method in class org.RDKit.ROMol
 
getAdjacencyMatrix(boolean) - Method in class org.RDKit.ROMol
 
getAdjacencyMatrix() - Method in class org.RDKit.ROMol
 
getAdjacencyMatrix__SWIG_0(long, ROMol, boolean, int, boolean, String, long) - Static method in class org.RDKit.RDKFuncsJNI
 
getAdjacencyMatrix__SWIG_1(long, ROMol, boolean, int, boolean, String) - Static method in class org.RDKit.RDKFuncsJNI
 
getAdjacencyMatrix__SWIG_2(long, ROMol, boolean, int, boolean) - Static method in class org.RDKit.RDKFuncsJNI
 
getAdjacencyMatrix__SWIG_3(long, ROMol, boolean, int) - Static method in class org.RDKit.RDKFuncsJNI
 
getAdjacencyMatrix__SWIG_4(long, ROMol, boolean) - Static method in class org.RDKit.RDKFuncsJNI
 
getAdjacencyMatrix__SWIG_5(long, ROMol) - Static method in class org.RDKit.RDKFuncsJNI
 
getAdjustDegree() - Method in class org.RDKit.AdjustQueryParameters
 
getAdjustDegreeFlags() - Method in class org.RDKit.AdjustQueryParameters
 
getAdjustHeavyDegree() - Method in class org.RDKit.AdjustQueryParameters
 
getAdjustHeavyDegreeFlags() - Method in class org.RDKit.AdjustQueryParameters
 
getAdjustRingChain() - Method in class org.RDKit.AdjustQueryParameters
 
getAdjustRingChainFlags() - Method in class org.RDKit.AdjustQueryParameters
 
getAdjustRingCount() - Method in class org.RDKit.AdjustQueryParameters
 
getAdjustRingCountFlags() - Method in class org.RDKit.AdjustQueryParameters
 
getAgents() - Method in class org.RDKit.ChemicalReaction
 
getAgentWeight() - Method in class org.RDKit.ReactionFingerprintParams
 
getAlignment() - Method in class org.RDKit.RGroupDecompositionParameters
 
getAlignmentTransform(ROMol, Transform3D, int, int, Match_Vect, SWIGTYPE_p_RDNumeric__VectorT_double_t, boolean, long) - Method in class org.RDKit.ROMol
 
getAlignmentTransform(ROMol, Transform3D, int, int, Match_Vect, SWIGTYPE_p_RDNumeric__VectorT_double_t, boolean) - Method in class org.RDKit.ROMol
 
getAlignmentTransform(ROMol, Transform3D, int, int, Match_Vect, SWIGTYPE_p_RDNumeric__VectorT_double_t) - Method in class org.RDKit.ROMol
 
getAlignmentTransform(ROMol, Transform3D, int, int, Match_Vect) - Method in class org.RDKit.ROMol
 
getAlignmentTransform(ROMol, Transform3D, int, int) - Method in class org.RDKit.ROMol
 
getAlignmentTransform(ROMol, Transform3D, int) - Method in class org.RDKit.ROMol
 
getAlignmentTransform(ROMol, Transform3D) - Method in class org.RDKit.ROMol
 
getAllAtomsWithBookmark(int) - Method in class org.RDKit.ROMol
 
getAllBondsWithBookmark(int) - Method in class org.RDKit.ROMol
 
getAllowCXSMILES() - Method in class org.RDKit.SmilesParserParams
 
getAltLoc() - Method in class org.RDKit.AtomPDBResidueInfo
 
getAmideBondOrder() - Static method in class org.RDKit.RDKFuncs
 
getAmwVersion() - Static method in class org.RDKit.RDKFuncs
 
getAngleDeg(Conformer, long, long, long) - Static method in class org.RDKit.RDKFuncs
 
getAngleDeg(long, Conformer, long, long, long) - Static method in class org.RDKit.RDKFuncsJNI
 
getAngleRad(Conformer, long, long, long) - Static method in class org.RDKit.RDKFuncs
 
getAngleRad(long, Conformer, long, long, long) - Static method in class org.RDKit.RDKFuncsJNI
 
getAromaticMatchesConjugated() - Method in class org.RDKit.SubstructMatchParameters
 
getAromatizeIfPossible() - Method in class org.RDKit.AdjustQueryParameters
 
getAtIdx(Atom) - Static method in class org.RDKit.RecursiveStructureQuery
 
getAtom() - Method in class org.RDKit.AromaticAtomIterator
 
getAtom() - Method in class org.RDKit.AtomIterator
 
getAtom() - Method in class org.RDKit.HeteroatomIterator
 
getAtom() - Method in class org.RDKit.MolStackUnion
 
getAtom() - Method in class org.RDKit.QueryAtomIterator
 
getAtom1Label() - Method in class org.RDKit.FragmenterBondType
 
getAtom1Type() - Method in class org.RDKit.FragmenterBondType
 
getAtom2Label() - Method in class org.RDKit.FragmenterBondType
 
getAtom2Type() - Method in class org.RDKit.FragmenterBondType
 
getAtomAlias(Atom) - Static method in class org.RDKit.RDKFuncs
 
getAtomAlias(long, Atom) - Static method in class org.RDKit.RDKFuncsJNI
 
getAtomBonds(Atom) - Method in class org.RDKit.ROMol
 
getAtomBookmarks() - Method in class org.RDKit.ROMol
 
getAtomCode(Atom, long, boolean) - Static method in class org.RDKit.RDKFuncs
 
getAtomCode(Atom, long) - Static method in class org.RDKit.RDKFuncs
 
getAtomCode(Atom) - Static method in class org.RDKit.RDKFuncs
 
getAtomCode__SWIG_0(long, Atom, long, boolean) - Static method in class org.RDKit.RDKFuncsJNI
 
getAtomCode__SWIG_1(long, Atom, long) - Static method in class org.RDKit.RDKFuncsJNI
 
getAtomCode__SWIG_2(long, Atom) - Static method in class org.RDKit.RDKFuncsJNI
 
getAtomColourPalette() - Method in class org.RDKit.MolDrawOptions
 
getAtomConjGrpIdx(long) - Method in class org.RDKit.ResonanceMolSupplier
 
getAtomCoords(Int_Pair) - Method in class org.RDKit.MolDraw2D
 
getAtomCoords(Double_Pair) - Method in class org.RDKit.MolDraw2D
 
getAtomCoords(int) - Method in class org.RDKit.MolDraw2D
 
getAtomDegree(Atom) - Method in class org.RDKit.ROMol
 
getAtomicNum() - Method in class org.RDKit.Atom
 
getAtomicNumber(String) - Method in class org.RDKit.PeriodicTable
 
getAtomicWeight(long) - Method in class org.RDKit.PeriodicTable
 
getAtomicWeight(String) - Method in class org.RDKit.PeriodicTable
This is an overloaded member function, provided for convenience.
getAtomIdx() - Method in exception org.RDKit.AtomSanitizeException
 
getAtomIndices() - Method in exception org.RDKit.KekulizeException
 
getAtomLabel() - Static method in class org.RDKit.RDKFuncs
 
getAtomLabelDeuteriumTritium() - Method in class org.RDKit.MolDrawOptions
 
getAtomLabels() - Method in class org.RDKit.MolDrawOptions
 
getAtomMapNum() - Method in class org.RDKit.Atom
 
getAtomMatches() - Method in class org.RDKit.FilterMatch
 
getAtomNeighbors(Atom) - Method in class org.RDKit.ROMol
 
getAtomNumberTypes() - Static method in class org.RDKit.RDKFuncs
 
getAtomPairCode(long, long, long, boolean) - Static method in class org.RDKit.RDKFuncs
 
getAtomPairCode(long, long, long) - Static method in class org.RDKit.RDKFuncs
 
getAtomPairCode__SWIG_0(long, long, long, boolean) - Static method in class org.RDKit.RDKFuncsJNI
 
getAtomPairCode__SWIG_1(long, long, long) - Static method in class org.RDKit.RDKFuncsJNI
 
getAtomPairFingerprint(ROMol, long, long, UInt_Vect, UInt_Vect, UInt_Vect, boolean, boolean, int) - Static method in class org.RDKit.RDKFuncs
 
getAtomPairFingerprint(ROMol, long, long, UInt_Vect, UInt_Vect, UInt_Vect, boolean, boolean) - Static method in class org.RDKit.RDKFuncs
 
getAtomPairFingerprint(ROMol, long, long, UInt_Vect, UInt_Vect, UInt_Vect, boolean) - Static method in class org.RDKit.RDKFuncs
 
getAtomPairFingerprint(ROMol, long, long, UInt_Vect, UInt_Vect, UInt_Vect) - Static method in class org.RDKit.RDKFuncs
 
getAtomPairFingerprint(ROMol, long, long, UInt_Vect, UInt_Vect) - Static method in class org.RDKit.RDKFuncs
 
getAtomPairFingerprint(ROMol, long, long, UInt_Vect) - Static method in class org.RDKit.RDKFuncs
 
getAtomPairFingerprint(ROMol, long, long) - Static method in class org.RDKit.RDKFuncs
 
getAtomPairFingerprint(ROMol, UInt_Vect, UInt_Vect, UInt_Vect, boolean, boolean, int) - Static method in class org.RDKit.RDKFuncs
 
getAtomPairFingerprint(ROMol, UInt_Vect, UInt_Vect, UInt_Vect, boolean, boolean) - Static method in class org.RDKit.RDKFuncs
 
getAtomPairFingerprint(ROMol, UInt_Vect, UInt_Vect, UInt_Vect, boolean) - Static method in class org.RDKit.RDKFuncs
 
getAtomPairFingerprint(ROMol, UInt_Vect, UInt_Vect, UInt_Vect) - Static method in class org.RDKit.RDKFuncs
 
getAtomPairFingerprint(ROMol, UInt_Vect, UInt_Vect) - Static method in class org.RDKit.RDKFuncs
 
getAtomPairFingerprint(ROMol, UInt_Vect) - Static method in class org.RDKit.RDKFuncs
 
getAtomPairFingerprint(ROMol) - Static method in class org.RDKit.RDKFuncs
 
getAtomPairFingerprint__SWIG_0(long, ROMol, long, long, long, UInt_Vect, long, UInt_Vect, long, UInt_Vect, boolean, boolean, int) - Static method in class org.RDKit.RDKFuncsJNI
 
getAtomPairFingerprint__SWIG_1(long, ROMol, long, long, long, UInt_Vect, long, UInt_Vect, long, UInt_Vect, boolean, boolean) - Static method in class org.RDKit.RDKFuncsJNI
 
getAtomPairFingerprint__SWIG_10(long, ROMol, long, UInt_Vect, long, UInt_Vect, long, UInt_Vect) - Static method in class org.RDKit.RDKFuncsJNI
 
getAtomPairFingerprint__SWIG_11(long, ROMol, long, UInt_Vect, long, UInt_Vect) - Static method in class org.RDKit.RDKFuncsJNI
 
getAtomPairFingerprint__SWIG_12(long, ROMol, long, UInt_Vect) - Static method in class org.RDKit.RDKFuncsJNI
 
getAtomPairFingerprint__SWIG_13(long, ROMol) - Static method in class org.RDKit.RDKFuncsJNI
 
getAtomPairFingerprint__SWIG_2(long, ROMol, long, long, long, UInt_Vect, long, UInt_Vect, long, UInt_Vect, boolean) - Static method in class org.RDKit.RDKFuncsJNI
 
getAtomPairFingerprint__SWIG_3(long, ROMol, long, long, long, UInt_Vect, long, UInt_Vect, long, UInt_Vect) - Static method in class org.RDKit.RDKFuncsJNI
 
getAtomPairFingerprint__SWIG_4(long, ROMol, long, long, long, UInt_Vect, long, UInt_Vect) - Static method in class org.RDKit.RDKFuncsJNI
 
getAtomPairFingerprint__SWIG_5(long, ROMol, long, long, long, UInt_Vect) - Static method in class org.RDKit.RDKFuncsJNI
 
getAtomPairFingerprint__SWIG_6(long, ROMol, long, long) - Static method in class org.RDKit.RDKFuncsJNI
 
getAtomPairFingerprint__SWIG_7(long, ROMol, long, UInt_Vect, long, UInt_Vect, long, UInt_Vect, boolean, boolean, int) - Static method in class org.RDKit.RDKFuncsJNI
 
getAtomPairFingerprint__SWIG_8(long, ROMol, long, UInt_Vect, long, UInt_Vect, long, UInt_Vect, boolean, boolean) - Static method in class org.RDKit.RDKFuncsJNI
 
getAtomPairFingerprint__SWIG_9(long, ROMol, long, UInt_Vect, long, UInt_Vect, long, UInt_Vect, boolean) - Static method in class org.RDKit.RDKFuncsJNI
 
getAtomPairs() - Method in class org.RDKit.FilterMatch
 
getAtomPairsVersion() - Static method in class org.RDKit.RDKFuncs
 
getAtomPos(long) - Method in class org.RDKit.Conformer
 
getAtomRegions() - Method in class org.RDKit.MolDrawOptions
 
getAtomRLabel(Atom) - Static method in class org.RDKit.RDKFuncs
 
getAtomRLabel(long, Atom) - Static method in class org.RDKit.RDKFuncsJNI
 
getAtoms() - Method in class org.RDKit.ROMol
 
getAtoms() - Method in class org.RDKit.StereoGroup
 
GetAtomSmarts(QueryAtom) - Static method in class org.RDKit.RDKFuncs
 
GetAtomSmarts(long, QueryAtom) - Static method in class org.RDKit.RDKFuncsJNI
 
GetAtomSmiles(Atom, boolean, Bond, boolean, boolean) - Static method in class org.RDKit.RDKFuncs
 
GetAtomSmiles(Atom, boolean, Bond, boolean) - Static method in class org.RDKit.RDKFuncs
 
GetAtomSmiles(Atom, boolean, Bond) - Static method in class org.RDKit.RDKFuncs
 
GetAtomSmiles(Atom, boolean) - Static method in class org.RDKit.RDKFuncs
 
GetAtomSmiles(Atom) - Static method in class org.RDKit.RDKFuncs
 
GetAtomSmiles__SWIG_0(long, Atom, boolean, long, Bond, boolean, boolean) - Static method in class org.RDKit.RDKFuncsJNI
 
GetAtomSmiles__SWIG_1(long, Atom, boolean, long, Bond, boolean) - Static method in class org.RDKit.RDKFuncsJNI
 
GetAtomSmiles__SWIG_2(long, Atom, boolean, long, Bond) - Static method in class org.RDKit.RDKFuncsJNI
 
GetAtomSmiles__SWIG_3(long, Atom, boolean) - Static method in class org.RDKit.RDKFuncsJNI
 
GetAtomSmiles__SWIG_4(long, Atom) - Static method in class org.RDKit.RDKFuncsJNI
 
getAtomTypeAtomicNum(int) - Static method in class org.RDKit.RDKFuncs
 
getAtomTypeAtomicNum(int) - Static method in class org.RDKit.RDKFuncsJNI
 
getAtomTypeIsAromatic(int) - Static method in class org.RDKit.RDKFuncs
 
getAtomTypeIsAromatic(int) - Static method in class org.RDKit.RDKFuncsJNI
 
getAtomValue(Atom) - Static method in class org.RDKit.RDKFuncs
 
getAtomValue(long, Atom) - Static method in class org.RDKit.RDKFuncsJNI
 
getAtomWithBookmark(int) - Method in class org.RDKit.ROMol
 
getAtomWithIdx(long) - Method in class org.RDKit.ROMol
 
getAuxInfoPtr() - Method in class org.RDKit.ExtraInchiReturnValues
 
getAvalonCountFP(ROMol, SparseIntVectu32, long, boolean, boolean, long) - Static method in class org.RDKit.RDKFuncs
 
getAvalonCountFP(ROMol, SparseIntVectu32, long, boolean, boolean) - Static method in class org.RDKit.RDKFuncs
 
getAvalonCountFP(ROMol, SparseIntVectu32, long, boolean) - Static method in class org.RDKit.RDKFuncs
 
getAvalonCountFP(ROMol, SparseIntVectu32, long) - Static method in class org.RDKit.RDKFuncs
 
getAvalonCountFP(ROMol, SparseIntVectu32) - Static method in class org.RDKit.RDKFuncs
 
getAvalonCountFP(String, boolean, SparseIntVectu32, long, boolean, long) - Static method in class org.RDKit.RDKFuncs
 
getAvalonCountFP(String, boolean, SparseIntVectu32, long, boolean) - Static method in class org.RDKit.RDKFuncs
 
getAvalonCountFP(String, boolean, SparseIntVectu32, long) - Static method in class org.RDKit.RDKFuncs
 
getAvalonCountFP(String, boolean, SparseIntVectu32) - Static method in class org.RDKit.RDKFuncs
 
getAvalonCountFP__SWIG_0(long, ROMol, long, SparseIntVectu32, long, boolean, boolean, long) - Static method in class org.RDKit.RDKFuncsJNI
 
getAvalonCountFP__SWIG_1(long, ROMol, long, SparseIntVectu32, long, boolean, boolean) - Static method in class org.RDKit.RDKFuncsJNI
 
getAvalonCountFP__SWIG_2(long, ROMol, long, SparseIntVectu32, long, boolean) - Static method in class org.RDKit.RDKFuncsJNI
 
getAvalonCountFP__SWIG_3(long, ROMol, long, SparseIntVectu32, long) - Static method in class org.RDKit.RDKFuncsJNI
 
getAvalonCountFP__SWIG_4(long, ROMol, long, SparseIntVectu32) - Static method in class org.RDKit.RDKFuncsJNI
 
getAvalonCountFP__SWIG_5(String, boolean, long, SparseIntVectu32, long, boolean, long) - Static method in class org.RDKit.RDKFuncsJNI
 
getAvalonCountFP__SWIG_6(String, boolean, long, SparseIntVectu32, long, boolean) - Static method in class org.RDKit.RDKFuncsJNI
 
getAvalonCountFP__SWIG_7(String, boolean, long, SparseIntVectu32, long) - Static method in class org.RDKit.RDKFuncsJNI
 
getAvalonCountFP__SWIG_8(String, boolean, long, SparseIntVectu32) - Static method in class org.RDKit.RDKFuncsJNI
 
getAvalonFP(ROMol, ExplicitBitVect, long, boolean, boolean, long) - Static method in class org.RDKit.RDKFuncs
 
getAvalonFP(ROMol, ExplicitBitVect, long, boolean, boolean) - Static method in class org.RDKit.RDKFuncs
 
getAvalonFP(ROMol, ExplicitBitVect, long, boolean) - Static method in class org.RDKit.RDKFuncs
 
getAvalonFP(ROMol, ExplicitBitVect, long) - Static method in class org.RDKit.RDKFuncs
 
getAvalonFP(ROMol, ExplicitBitVect) - Static method in class org.RDKit.RDKFuncs
 
getAvalonFP(ROMol, UInt_Vect, long, boolean, boolean, long) - Static method in class org.RDKit.RDKFuncs
 
getAvalonFP(ROMol, UInt_Vect, long, boolean, boolean) - Static method in class org.RDKit.RDKFuncs
 
getAvalonFP(ROMol, UInt_Vect, long, boolean) - Static method in class org.RDKit.RDKFuncs
 
getAvalonFP(ROMol, UInt_Vect, long) - Static method in class org.RDKit.RDKFuncs
 
getAvalonFP(ROMol, UInt_Vect) - Static method in class org.RDKit.RDKFuncs
 
getAvalonFP(String, boolean, ExplicitBitVect, long, boolean, boolean, long) - Static method in class org.RDKit.RDKFuncs
 
getAvalonFP(String, boolean, ExplicitBitVect, long, boolean, boolean) - Static method in class org.RDKit.RDKFuncs
 
getAvalonFP(String, boolean, ExplicitBitVect, long, boolean) - Static method in class org.RDKit.RDKFuncs
 
getAvalonFP(String, boolean, ExplicitBitVect, long) - Static method in class org.RDKit.RDKFuncs
 
getAvalonFP(String, boolean, ExplicitBitVect) - Static method in class org.RDKit.RDKFuncs
 
getAvalonFP(String, boolean, UInt_Vect, long, boolean, boolean, long) - Static method in class org.RDKit.RDKFuncs
 
getAvalonFP(String, boolean, UInt_Vect, long, boolean, boolean) - Static method in class org.RDKit.RDKFuncs
 
getAvalonFP(String, boolean, UInt_Vect, long, boolean) - Static method in class org.RDKit.RDKFuncs
 
getAvalonFP(String, boolean, UInt_Vect, long) - Static method in class org.RDKit.RDKFuncs
 
getAvalonFP(String, boolean, UInt_Vect) - Static method in class org.RDKit.RDKFuncs
 
getAvalonFP__SWIG_0(long, ROMol, long, ExplicitBitVect, long, boolean, boolean, long) - Static method in class org.RDKit.RDKFuncsJNI
 
getAvalonFP__SWIG_1(long, ROMol, long, ExplicitBitVect, long, boolean, boolean) - Static method in class org.RDKit.RDKFuncsJNI
 
getAvalonFP__SWIG_10(String, boolean, long, ExplicitBitVect, long, boolean, boolean, long) - Static method in class org.RDKit.RDKFuncsJNI
 
getAvalonFP__SWIG_11(String, boolean, long, ExplicitBitVect, long, boolean, boolean) - Static method in class org.RDKit.RDKFuncsJNI
 
getAvalonFP__SWIG_12(String, boolean, long, ExplicitBitVect, long, boolean) - Static method in class org.RDKit.RDKFuncsJNI
 
getAvalonFP__SWIG_13(String, boolean, long, ExplicitBitVect, long) - Static method in class org.RDKit.RDKFuncsJNI
 
getAvalonFP__SWIG_14(String, boolean, long, ExplicitBitVect) - Static method in class org.RDKit.RDKFuncsJNI
 
getAvalonFP__SWIG_15(String, boolean, long, UInt_Vect, long, boolean, boolean, long) - Static method in class org.RDKit.RDKFuncsJNI
 
getAvalonFP__SWIG_16(String, boolean, long, UInt_Vect, long, boolean, boolean) - Static method in class org.RDKit.RDKFuncsJNI
 
getAvalonFP__SWIG_17(String, boolean, long, UInt_Vect, long, boolean) - Static method in class org.RDKit.RDKFuncsJNI
 
getAvalonFP__SWIG_18(String, boolean, long, UInt_Vect, long) - Static method in class org.RDKit.RDKFuncsJNI
 
getAvalonFP__SWIG_19(String, boolean, long, UInt_Vect) - Static method in class org.RDKit.RDKFuncsJNI
 
getAvalonFP__SWIG_2(long, ROMol, long, ExplicitBitVect, long, boolean) - Static method in class org.RDKit.RDKFuncsJNI
 
getAvalonFP__SWIG_3(long, ROMol, long, ExplicitBitVect, long) - Static method in class org.RDKit.RDKFuncsJNI
 
getAvalonFP__SWIG_4(long, ROMol, long, ExplicitBitVect) - Static method in class org.RDKit.RDKFuncsJNI
 
getAvalonFP__SWIG_5(long, ROMol, long, UInt_Vect, long, boolean, boolean, long) - Static method in class org.RDKit.RDKFuncsJNI
 
getAvalonFP__SWIG_6(long, ROMol, long, UInt_Vect, long, boolean, boolean) - Static method in class org.RDKit.RDKFuncsJNI
 
getAvalonFP__SWIG_7(long, ROMol, long, UInt_Vect, long, boolean) - Static method in class org.RDKit.RDKFuncsJNI
 
getAvalonFP__SWIG_8(long, ROMol, long, UInt_Vect, long) - Static method in class org.RDKit.RDKFuncsJNI
 
getAvalonFP__SWIG_9(long, ROMol, long, UInt_Vect) - Static method in class org.RDKit.RDKFuncsJNI
 
getAvalonSimilarityBits() - Static method in class org.RDKit.RDKFuncs
 
getAvalonSSSBits() - Static method in class org.RDKit.RDKFuncs
 
getB() - Method in class org.RDKit.DrawColour
 
getBackgroundColour() - Method in class org.RDKit.MolDrawOptions
 
getBalabanJ() - Static method in class org.RDKit.RDKFuncs
 
getBalanbanJ() - Static method in class org.RDKit.RDKFuncs
 
getBasinThresh() - Method in class org.RDKit.EmbedParameters
 
getBeginAtom() - Method in class org.RDKit.Bond
getBeginAtomIdx() - Method in class org.RDKit.Bond
getBit(long) - Method in class org.RDKit.BitVect
 
getBit(long) - Method in class org.RDKit.ExplicitBitVect
 
getBitRatioAgents() - Method in class org.RDKit.ReactionFingerprintParams
 
getBond() - Method in class org.RDKit.BondIterator
 
getBond() - Method in class org.RDKit.ConstBondIterator
 
getBond() - Method in class org.RDKit.MolStackUnion
 
getBondBetweenAtoms(long, long) - Method in class org.RDKit.ROMol
 
getBondBookmarks() - Method in class org.RDKit.ROMol
 
getBondConjGrpIdx(long) - Method in class org.RDKit.ResonanceMolSupplier
 
getBondDir() - Method in class org.RDKit.Bond
 
getBondLength(Conformer, long, long) - Static method in class org.RDKit.RDKFuncs
 
getBondLength(long, Conformer, long, long) - Static method in class org.RDKit.RDKFuncsJNI
 
getBondLineWidth() - Method in class org.RDKit.MolDrawOptions
 
getBonds() - Method in class org.RDKit.Atom
 
GetBondSmarts(QueryBond, int) - Static method in class org.RDKit.RDKFuncs
 
GetBondSmarts(QueryBond) - Static method in class org.RDKit.RDKFuncs
 
GetBondSmarts__SWIG_0(long, QueryBond, int) - Static method in class org.RDKit.RDKFuncsJNI
 
GetBondSmarts__SWIG_1(long, QueryBond) - Static method in class org.RDKit.RDKFuncsJNI
 
GetBondSmiles(Bond, int, boolean, boolean) - Static method in class org.RDKit.RDKFuncs
 
GetBondSmiles(Bond, int, boolean) - Static method in class org.RDKit.RDKFuncs
 
GetBondSmiles(Bond, int) - Static method in class org.RDKit.RDKFuncs
 
GetBondSmiles(Bond) - Static method in class org.RDKit.RDKFuncs
 
GetBondSmiles__SWIG_0(long, Bond, int, boolean, boolean) - Static method in class org.RDKit.RDKFuncsJNI
 
GetBondSmiles__SWIG_1(long, Bond, int, boolean) - Static method in class org.RDKit.RDKFuncsJNI
 
GetBondSmiles__SWIG_2(long, Bond, int) - Static method in class org.RDKit.RDKFuncsJNI
 
GetBondSmiles__SWIG_3(long, Bond) - Static method in class org.RDKit.RDKFuncsJNI
 
getBondType() - Method in class org.RDKit.Bond
 
getBondType() - Method in class org.RDKit.FragmenterBondType
 
getBondTypeAsDouble() - Method in class org.RDKit.Bond
 
getBondWithBookmark(int) - Method in class org.RDKit.ROMol
 
getBondWithIdx(long) - Method in class org.RDKit.ROMol
 
getBoostVersion() - Static method in class org.RDKit.RDKFuncs
 
getBoundsMat() - Method in class org.RDKit.EmbedParameters
 
getBoxSizeMult() - Method in class org.RDKit.EmbedParameters
 
getCanceled() - Method in class org.RDKit.MCSResult
 
getCanonSmiles(ROMol, int) - Static method in class org.RDKit.RDKFuncs
 
getCanonSmiles(ROMol) - Static method in class org.RDKit.RDKFuncs
 
getCanonSmiles(String, boolean, int) - Static method in class org.RDKit.RDKFuncs
 
getCanonSmiles(String, boolean) - Static method in class org.RDKit.RDKFuncs
 
getCanonSmiles__SWIG_0(long, ROMol, int) - Static method in class org.RDKit.RDKFuncsJNI
 
getCanonSmiles__SWIG_1(long, ROMol) - Static method in class org.RDKit.RDKFuncsJNI
 
getCanonSmiles__SWIG_2(String, boolean, int) - Static method in class org.RDKit.RDKFuncsJNI
 
getCanonSmiles__SWIG_3(String, boolean) - Static method in class org.RDKit.RDKFuncsJNI
 
getCatalogs() - Method in class org.RDKit.FilterCatalogParams
 
getChainId() - Method in class org.RDKit.AtomPDBResidueInfo
 
getCheckMolLog() - Static method in class org.RDKit.RDKFuncs
 
getCheckMolLog() - Static method in class org.RDKit.RDKFuncsJNI
 
getChi0nVersion() - Static method in class org.RDKit.RDKFuncs
 
getChi0vVersion() - Static method in class org.RDKit.RDKFuncs
 
getChi1nVersion() - Static method in class org.RDKit.RDKFuncs
 
getChi1vVersion() - Static method in class org.RDKit.RDKFuncs
 
getChi2nVersion() - Static method in class org.RDKit.RDKFuncs
 
getChi2vVersion() - Static method in class org.RDKit.RDKFuncs
 
getChi3nVersion() - Static method in class org.RDKit.RDKFuncs
 
getChi3vVersion() - Static method in class org.RDKit.RDKFuncs
 
getChi4nVersion() - Static method in class org.RDKit.RDKFuncs
 
getChi4vVersion() - Static method in class org.RDKit.RDKFuncs
 
getChiNnVersion() - Static method in class org.RDKit.RDKFuncs
 
getChiNvVersion() - Static method in class org.RDKit.RDKFuncs
 
getChiralTag() - Method in class org.RDKit.Atom
 
getChunkSize() - Method in class org.RDKit.RGroupDecompositionParameters
 
getCi_ATOM_HOLDER() - Static method in class org.RDKit.RDKFuncs
 
getCi_BITVECT_VERSION() - Static method in class org.RDKit.RDKFuncs
 
getCi_LEADING_BOND() - Static method in class org.RDKit.RDKFuncs
 
getCi_LOCAL_INF() - Static method in class org.RDKit.RDKFuncs
 
getCi_RIGHTMOST_ATOM() - Static method in class org.RDKit.RDKFuncs
 
getCi_SPARSEINTVECT_VERSION() - Static method in class org.RDKit.RDKFuncs
 
getCircleAtoms() - Method in class org.RDKit.MolDrawOptions
 
getClearBackground() - Method in class org.RDKit.MolDrawOptions
 
getClearConfs() - Method in class org.RDKit.EmbedParameters
 
getCodeSize() - Static method in class org.RDKit.RDKFuncs
 
getCol(long, SWIGTYPE_p_RDNumeric__VectorT_double_t) - Method in class org.RDKit.DoubleMatrix
 
getCol(long, SWIGTYPE_p_RDNumeric__VectorT_double_t) - Method in class org.RDKit.DoubleSymmMatrix
 
getCol(long, SWIGTYPE_p_RDNumeric__VectorT_int_t) - Method in class org.RDKit.IntMatrix
 
getCol(long, SWIGTYPE_p_RDNumeric__VectorT_int_t) - Method in class org.RDKit.IntSymmMatrix
 
getColourMap() - Method in class org.RDKit.ContourParams
 
getCompleteRingsOnly() - Method in class org.RDKit.MCSBondCompareParameters
 
getComputedPropName() - Static method in class org.RDKit.RDKFuncs
 
getConformer(int) - Method in class org.RDKit.ROMol
return the conformer with a specified ID if the ID is negative the first conformation will be returned
getConformer() - Method in class org.RDKit.ROMol
return the conformer with a specified ID if the ID is negative the first conformation will be returned
getConnectivityInvariants(ROMol, UInt_Vect, boolean) - Static method in class org.RDKit.RDKFuncs
 
getConnectivityInvariants(ROMol, UInt_Vect) - Static method in class org.RDKit.RDKFuncs
 
getConnectivityInvariants__SWIG_0(long, ROMol, long, UInt_Vect, boolean) - Static method in class org.RDKit.RDKFuncsJNI
 
getConnectivityInvariants__SWIG_1(long, ROMol, long, UInt_Vect) - Static method in class org.RDKit.RDKFuncsJNI
 
getContinuousHighlight() - Method in class org.RDKit.MolDrawOptions
 
getContourColour() - Method in class org.RDKit.ContourParams
 
getContourWidth() - Method in class org.RDKit.ContourParams
 
getCoordMap() - Method in class org.RDKit.EmbedParameters
 
getCPtr(AdjustQueryParameters) - Static method in class org.RDKit.AdjustQueryParameters
 
getCPtr(AngleBendContrib) - Static method in class org.RDKit.AngleBendContrib
 
getCPtr(AromaticAtomIterator) - Static method in class org.RDKit.AromaticAtomIterator
 
getCPtr(Atom) - Static method in class org.RDKit.Atom
 
getCPtr(Atom_Vect) - Static method in class org.RDKit.Atom_Vect
 
getCPtr(Atomic_Params_Vect) - Static method in class org.RDKit.Atomic_Params_Vect
 
getCPtr(atomicData) - Static method in class org.RDKit.atomicData
 
getCPtr(AtomicParams) - Static method in class org.RDKit.AtomicParams
 
getCPtr(AtomIterator) - Static method in class org.RDKit.AtomIterator
 
getCPtr(AtomKekulizeException) - Static method in exception org.RDKit.AtomKekulizeException
 
getCPtr(AtomMonomerInfo) - Static method in class org.RDKit.AtomMonomerInfo
 
getCPtr(AtomPDBResidueInfo) - Static method in class org.RDKit.AtomPDBResidueInfo
 
getCPtr(AtomRingQuery) - Static method in class org.RDKit.AtomRingQuery
 
getCPtr(AtomSanitizeException) - Static method in exception org.RDKit.AtomSanitizeException
 
getCPtr(AtomValenceException) - Static method in exception org.RDKit.AtomValenceException
 
getCPtr(BitInfoMap) - Static method in class org.RDKit.BitInfoMap
 
getCPtr(BitVect) - Static method in class org.RDKit.BitVect
 
getCPtr(Bond) - Static method in class org.RDKit.Bond
 
getCPtr(Bond_Vect) - Static method in class org.RDKit.Bond_Vect
 
getCPtr(BondIterator) - Static method in class org.RDKit.BondIterator
 
getCPtr(BondStretchContrib) - Static method in class org.RDKit.BondStretchContrib
 
getCPtr(BoundsMatrix) - Static method in class org.RDKit.BoundsMatrix
 
getCPtr(Byte_Vect) - Static method in class org.RDKit.Byte_Vect
 
getCPtr(CachedMolHolder) - Static method in class org.RDKit.CachedMolHolder
 
getCPtr(CachedSmilesMolHolder) - Static method in class org.RDKit.CachedSmilesMolHolder
 
getCPtr(CachedTrustedSmilesMolHolder) - Static method in class org.RDKit.CachedTrustedSmilesMolHolder
 
getCPtr(CatalogParams) - Static method in class org.RDKit.CatalogParams
 
getCPtr(charptr_functor) - Static method in class org.RDKit.charptr_functor
 
getCPtr(ChemicalReaction) - Static method in class org.RDKit.ChemicalReaction
 
getCPtr(ChemicalReactionException) - Static method in exception org.RDKit.ChemicalReactionException
 
getCPtr(ChemicalReactionParserException) - Static method in exception org.RDKit.ChemicalReactionParserException
 
getCPtr(ChiralSet) - Static method in class org.RDKit.ChiralSet
 
getCPtr(CleanupParameters) - Static method in class org.RDKit.CleanupParameters
 
getCPtr(ColourPalette) - Static method in class org.RDKit.ColourPalette
 
getCPtr(Conformer) - Static method in class org.RDKit.Conformer
 
getCPtr(ConformerException) - Static method in exception org.RDKit.ConformerException
 
getCPtr(ConstBondIterator) - Static method in class org.RDKit.ConstBondIterator
 
getCPtr(ContourParams) - Static method in class org.RDKit.ContourParams
 
getCPtr(Dict) - Static method in class org.RDKit.Dict
 
getCPtr(DistanceConstraintContrib) - Static method in class org.RDKit.DistanceConstraintContrib
 
getCPtr(DistanceGeom) - Static method in class org.RDKit.DistanceGeom
 
getCPtr(Double_Array) - Static method in class org.RDKit.Double_Array
 
getCPtr(Double_Pair) - Static method in class org.RDKit.Double_Pair
 
getCPtr(Double_Vect) - Static method in class org.RDKit.Double_Vect
 
getCPtr(DoubleMatrix) - Static method in class org.RDKit.DoubleMatrix
 
getCPtr(DoubleSquareMatrix) - Static method in class org.RDKit.DoubleSquareMatrix
 
getCPtr(DoubleSymmMatrix) - Static method in class org.RDKit.DoubleSymmMatrix
 
getCPtr(DrawColour) - Static method in class org.RDKit.DrawColour
 
getCPtr(EBV_Vect) - Static method in class org.RDKit.EBV_Vect
 
getCPtr(EmbedParameters) - Static method in class org.RDKit.EmbedParameters
 
getCPtr(ExplicitBitVect) - Static method in class org.RDKit.ExplicitBitVect
 
getCPtr(ExtraInchiReturnValues) - Static method in class org.RDKit.ExtraInchiReturnValues
 
getCPtr(FF_Contrib_Vect) - Static method in class org.RDKit.FF_Contrib_Vect
 
getCPtr(FilterCatalog) - Static method in class org.RDKit.FilterCatalog
 
getCPtr(FilterCatalogEntry) - Static method in class org.RDKit.FilterCatalogEntry
 
getCPtr(FilterCatalogEntry_Vect) - Static method in class org.RDKit.FilterCatalogEntry_Vect
 
getCPtr(FilterCatalogEntry_VectVect) - Static method in class org.RDKit.FilterCatalogEntry_VectVect
 
getCPtr(FilterCatalogEntryVect) - Static method in class org.RDKit.FilterCatalogEntryVect
 
getCPtr(FilterCatalogParams) - Static method in class org.RDKit.FilterCatalogParams
 
getCPtr(FilterMatch) - Static method in class org.RDKit.FilterMatch
 
getCPtr(FilterMatch_Vect) - Static method in class org.RDKit.FilterMatch_Vect
 
getCPtr(FilterMatcherBase) - Static method in class org.RDKit.FilterMatcherBase
 
getCPtr(Flagged_Atomic_Params_Vect) - Static method in class org.RDKit.Flagged_Atomic_Params_Vect
 
getCPtr(Float_Pair) - Static method in class org.RDKit.Float_Pair
 
getCPtr(Float_Pair_Vect) - Static method in class org.RDKit.Float_Pair_Vect
 
getCPtr(ForceField) - Static method in class org.RDKit.ForceField
 
getCPtr(ForceFieldContrib) - Static method in class org.RDKit.ForceFieldContrib
 
getCPtr(ForwardSDMolSupplier) - Static method in class org.RDKit.ForwardSDMolSupplier
 
getCPtr(FPHolderBase) - Static method in class org.RDKit.FPHolderBase
 
getCPtr(FragmenterBondType) - Static method in class org.RDKit.FragmenterBondType
 
getCPtr(GenericRDKitException) - Static method in exception org.RDKit.GenericRDKitException
 
getCPtr(gzstream) - Static method in class org.RDKit.gzstream
 
getCPtr(HeteroatomIterator) - Static method in class org.RDKit.HeteroatomIterator
 
getCPtr(IndexErrorException) - Static method in class org.RDKit.IndexErrorException
 
getCPtr(Int_Double_Map) - Static method in class org.RDKit.Int_Double_Map
 
getCPtr(Int_Int_Map) - Static method in class org.RDKit.Int_Int_Map
 
getCPtr(Int_Int_Vect_List_Map) - Static method in class org.RDKit.Int_Int_Vect_List_Map
 
getCPtr(Int_Int_Vect_Map) - Static method in class org.RDKit.Int_Int_Vect_Map
 
getCPtr(Int_List) - Static method in class org.RDKit.Int_List
 
getCPtr(Int_Pair) - Static method in class org.RDKit.Int_Pair
 
getCPtr(Int_Point2D_Map) - Static method in class org.RDKit.Int_Point2D_Map
 
getCPtr(Int_Point3D_Map) - Static method in class org.RDKit.Int_Point3D_Map
 
getCPtr(Int_String_Map) - Static method in class org.RDKit.Int_String_Map
 
getCPtr(Int_Vect) - Static method in class org.RDKit.Int_Vect
 
getCPtr(Int_Vect_List) - Static method in class org.RDKit.Int_Vect_List
 
getCPtr(Int_Vect_Vect) - Static method in class org.RDKit.Int_Vect_Vect
 
getCPtr(IntMatrix) - Static method in class org.RDKit.IntMatrix
 
getCPtr(IntSymmMatrix) - Static method in class org.RDKit.IntSymmMatrix
 
getCPtr(InversionContrib) - Static method in class org.RDKit.InversionContrib
 
getCPtr(KekulizeException) - Static method in exception org.RDKit.KekulizeException
 
getCPtr(KeyErrorException) - Static method in exception org.RDKit.KeyErrorException
 
getCPtr(Long_Pair) - Static method in class org.RDKit.Long_Pair
 
getCPtr(Long_Pair_Vect) - Static method in class org.RDKit.Long_Pair_Vect
 
getCPtr(ltDouble) - Static method in class org.RDKit.ltDouble
 
getCPtr(Match_Vect) - Static method in class org.RDKit.Match_Vect
 
getCPtr(Match_Vect_Vect) - Static method in class org.RDKit.Match_Vect_Vect
 
getCPtr(MCSAtomCompareParameters) - Static method in class org.RDKit.MCSAtomCompareParameters
 
getCPtr(MCSBondCompareParameters) - Static method in class org.RDKit.MCSBondCompareParameters
 
getCPtr(MCSProgressData) - Static method in class org.RDKit.MCSProgressData
 
getCPtr(MCSResult) - Static method in class org.RDKit.MCSResult
 
getCPtr(MolDraw2D) - Static method in class org.RDKit.MolDraw2D
 
getCPtr(MolDraw2DSVG) - Static method in class org.RDKit.MolDraw2DSVG
 
getCPtr(MolDrawOptions) - Static method in class org.RDKit.MolDrawOptions
 
getCPtr(MolFileUnhandledFeatureException) - Static method in class org.RDKit.MolFileUnhandledFeatureException
 
getCPtr(MolHolder) - Static method in class org.RDKit.MolHolder
 
getCPtr(MolHolderBase) - Static method in class org.RDKit.MolHolderBase
 
getCPtr(MolPicklerException) - Static method in exception org.RDKit.MolPicklerException
 
getCPtr(MolSanitizeException) - Static method in exception org.RDKit.MolSanitizeException
 
getCPtr(MolSanitizeException_Vect) - Static method in class org.RDKit.MolSanitizeException_Vect
 
getCPtr(MolStackElem) - Static method in class org.RDKit.MolStackElem
 
getCPtr(MolStackUnion) - Static method in class org.RDKit.MolStackUnion
 
getCPtr(MolSupplier) - Static method in class org.RDKit.MolSupplier
 
getCPtr(MolWriter) - Static method in class org.RDKit.MolWriter
 
getCPtr(ParamCollection) - Static method in class org.RDKit.ParamCollection
 
getCPtr(PatternHolder) - Static method in class org.RDKit.PatternHolder
 
getCPtr(PDBMolSupplier) - Static method in class org.RDKit.PDBMolSupplier
 
getCPtr(PDBWriter) - Static method in class org.RDKit.PDBWriter
 
getCPtr(PeriodicTable) - Static method in class org.RDKit.PeriodicTable
 
getCPtr(Point) - Static method in class org.RDKit.Point
 
getCPtr(Point2D) - Static method in class org.RDKit.Point2D
 
getCPtr(Point2D_Vect) - Static method in class org.RDKit.Point2D_Vect
 
getCPtr(Point3D) - Static method in class org.RDKit.Point3D
 
getCPtr(Point3D_Vect) - Static method in class org.RDKit.Point3D_Vect
 
getCPtr(Point_Vect) - Static method in class org.RDKit.Point_Vect
 
getCPtr(PointND) - Static method in class org.RDKit.PointND
 
getCPtr(QueryAtom) - Static method in class org.RDKit.QueryAtom
 
getCPtr(QueryAtomIterator) - Static method in class org.RDKit.QueryAtomIterator
 
getCPtr(QueryBond) - Static method in class org.RDKit.QueryBond
 
getCPtr(RDProps) - Static method in class org.RDKit.RDProps
 
getCPtr(ReactionFingerprintParams) - Static method in class org.RDKit.ReactionFingerprintParams
 
getCPtr(RecursiveStructureQuery) - Static method in class org.RDKit.RecursiveStructureQuery
 
getCPtr(ResonanceMolSupplier) - Static method in class org.RDKit.ResonanceMolSupplier
 
getCPtr(RGroupDecomposition) - Static method in class org.RDKit.RGroupDecomposition
 
getCPtr(RGroupDecompositionParameters) - Static method in class org.RDKit.RGroupDecompositionParameters
 
getCPtr(RingInfo) - Static method in class org.RDKit.RingInfo
 
getCPtr(ROMol) - Static method in class org.RDKit.ROMol
 
getCPtr(ROMol_Vect) - Static method in class org.RDKit.ROMol_Vect
 
getCPtr(ROMol_Vect_Vect) - Static method in class org.RDKit.ROMol_Vect_Vect
 
getCPtr(RWMol) - Static method in class org.RDKit.RWMol
 
getCPtr(SDMolSupplier) - Static method in class org.RDKit.SDMolSupplier
 
getCPtr(SDWriter) - Static method in class org.RDKit.SDWriter
 
getCPtr(Shared_Double_Array) - Static method in class org.RDKit.Shared_Double_Array
 
getCPtr(Shared_Int_Array) - Static method in class org.RDKit.Shared_Int_Array
 
getCPtr(SmilesMolSupplier) - Static method in class org.RDKit.SmilesMolSupplier
 
getCPtr(SmilesParseException) - Static method in exception org.RDKit.SmilesParseException
 
getCPtr(SmilesParserParams) - Static method in class org.RDKit.SmilesParserParams
 
getCPtr(SmilesWriter) - Static method in class org.RDKit.SmilesWriter
 
getCPtr(Snapshot) - Static method in class org.RDKit.Snapshot
 
getCPtr(SparseIntVect32) - Static method in class org.RDKit.SparseIntVect32
 
getCPtr(SparseIntVect64) - Static method in class org.RDKit.SparseIntVect64
 
getCPtr(SparseIntVectu32) - Static method in class org.RDKit.SparseIntVectu32
 
getCPtr(ss_matcher) - Static method in class org.RDKit.ss_matcher
 
getCPtr(StereoGroup) - Static method in class org.RDKit.StereoGroup
 
getCPtr(StereoGroup_Vect) - Static method in class org.RDKit.StereoGroup_Vect
 
getCPtr(Str_Vect) - Static method in class org.RDKit.Str_Vect
 
getCPtr(String_String_Map) - Static method in class org.RDKit.String_String_Map
 
getCPtr(StringInt_Pair) - Static method in class org.RDKit.StringInt_Pair
 
getCPtr(StringMolMap) - Static method in class org.RDKit.StringMolMap
 
getCPtr(StringMolMap_Vect) - Static method in class org.RDKit.StringMolMap_Vect
 
getCPtr(StringROMol_VectMap) - Static method in class org.RDKit.StringROMol_VectMap
 
getCPtr(SubstructLibrary) - Static method in class org.RDKit.SubstructLibrary
 
getCPtr(SubstructMatchParameters) - Static method in class org.RDKit.SubstructMatchParameters
 
getCPtr(SWIGTYPE_p_bool) - Static method in class org.RDKit.SWIGTYPE_p_bool
 
getCPtr(SWIGTYPE_p_boost__adjacency_listT_boost__vecS_boost__vecS_boost__undirectedS_RDKit__Atom_p_RDKit__Bond_p_t__edge_iterator) - Static method in class org.RDKit.SWIGTYPE_p_boost__adjacency_listT_boost__vecS_boost__vecS_boost__undirectedS_RDKit__Atom_p_RDKit__Bond_p_t__edge_iterator
 
getCPtr(SWIGTYPE_p_boost__detail__sp_typeinfo) - Static method in class org.RDKit.SWIGTYPE_p_boost__detail__sp_typeinfo
 
getCPtr(SWIGTYPE_p_boost__dynamic_bitsetT_t) - Static method in class org.RDKit.SWIGTYPE_p_boost__dynamic_bitsetT_t
 
getCPtr(SWIGTYPE_p_boost__shared_ptrT_DistGeom__BoundsMatrix_const_t) - Static method in class org.RDKit.SWIGTYPE_p_boost__shared_ptrT_DistGeom__BoundsMatrix_const_t
 
getCPtr(SWIGTYPE_p_boost__shared_ptrT_DistGeom__BoundsMatrix_t) - Static method in class org.RDKit.SWIGTYPE_p_boost__shared_ptrT_DistGeom__BoundsMatrix_t
 
getCPtr(SWIGTYPE_p_boost__shared_ptrT_RDKit__FilterMatcherBase_t) - Static method in class org.RDKit.SWIGTYPE_p_boost__shared_ptrT_RDKit__FilterMatcherBase_t
 
getCPtr(SWIGTYPE_p_boost__tupleT_double_double_double_double_t) - Static method in class org.RDKit.SWIGTYPE_p_boost__tupleT_double_double_double_double_t
 
getCPtr(SWIGTYPE_p_double) - Static method in class org.RDKit.SWIGTYPE_p_double
 
getCPtr(SWIGTYPE_p_f_p_q_const__RDKit__Atom__bool) - Static method in class org.RDKit.SWIGTYPE_p_f_p_q_const__RDKit__Atom__bool
 
getCPtr(SWIGTYPE_p_f_p_q_const__RDKit__Atom__int) - Static method in class org.RDKit.SWIGTYPE_p_f_p_q_const__RDKit__Atom__int
 
getCPtr(SWIGTYPE_p_f_p_RDKit__Atom__bool) - Static method in class org.RDKit.SWIGTYPE_p_f_p_RDKit__Atom__bool
 
getCPtr(SWIGTYPE_p_f_r_RDKit__RWMol__int) - Static method in class org.RDKit.SWIGTYPE_p_f_r_RDKit__RWMol__int
 
getCPtr(SWIGTYPE_p_ForceFields__CrystalFF__CrystalFFDetails) - Static method in class org.RDKit.SWIGTYPE_p_ForceFields__CrystalFF__CrystalFFDetails
 
getCPtr(SWIGTYPE_p_int) - Static method in class org.RDKit.SWIGTYPE_p_int
 
getCPtr(SWIGTYPE_p_p_double) - Static method in class org.RDKit.SWIGTYPE_p_p_double
 
getCPtr(SWIGTYPE_p_Queries__EqualityQueryT_int_RDKit__Atom_const_p_true_t) - Static method in class org.RDKit.SWIGTYPE_p_Queries__EqualityQueryT_int_RDKit__Atom_const_p_true_t
 
getCPtr(SWIGTYPE_p_Queries__EqualityQueryT_int_RDKit__Bond_const_p_true_t) - Static method in class org.RDKit.SWIGTYPE_p_Queries__EqualityQueryT_int_RDKit__Bond_const_p_true_t
 
getCPtr(SWIGTYPE_p_Queries__OrQueryT_int_RDKit__Atom_const_p_true_t) - Static method in class org.RDKit.SWIGTYPE_p_Queries__OrQueryT_int_RDKit__Atom_const_p_true_t
 
getCPtr(SWIGTYPE_p_Queries__QueryT_int_RDKit__Atom_const_p_true_t) - Static method in class org.RDKit.SWIGTYPE_p_Queries__QueryT_int_RDKit__Atom_const_p_true_t
 
getCPtr(SWIGTYPE_p_Queries__QueryT_int_RDKit__Bond_const_p_true_t) - Static method in class org.RDKit.SWIGTYPE_p_Queries__QueryT_int_RDKit__Bond_const_p_true_t
 
getCPtr(SWIGTYPE_p_Queries__RangeQueryT_int_RDKit__Atom_const_p_true_t) - Static method in class org.RDKit.SWIGTYPE_p_Queries__RangeQueryT_int_RDKit__Atom_const_p_true_t
 
getCPtr(SWIGTYPE_p_RDDepict__DOUBLE_SMART_PTR) - Static method in class org.RDKit.SWIGTYPE_p_RDDepict__DOUBLE_SMART_PTR
 
getCPtr(SWIGTYPE_p_RDKit__CXXAtomIteratorT_boost__adjacency_listT_boost__vecS_boost__vecS_boost__undirectedS_RDKit__Atom_p_RDKit__Bond_p_t_RDKit__Atom_p_t) - Static method in class org.RDKit.SWIGTYPE_p_RDKit__CXXAtomIteratorT_boost__adjacency_listT_boost__vecS_boost__vecS_boost__undirectedS_RDKit__Atom_p_RDKit__Bond_p_t_RDKit__Atom_p_t
 
getCPtr(SWIGTYPE_p_RDKit__CXXBondIteratorT_boost__adjacency_listT_boost__vecS_boost__vecS_boost__undirectedS_RDKit__Atom_p_RDKit__Bond_p_t_RDKit__Bond_p_t) - Static method in class org.RDKit.SWIGTYPE_p_RDKit__CXXBondIteratorT_boost__adjacency_listT_boost__vecS_boost__vecS_boost__undirectedS_RDKit__Atom_p_RDKit__Bond_p_t_RDKit__Bond_p_t
 
getCPtr(SWIGTYPE_p_RDKit__double_source_type) - Static method in class org.RDKit.SWIGTYPE_p_RDKit__double_source_type
 
getCPtr(SWIGTYPE_p_RDKit__MatchingAtomIterator_T_RDKit__Atom_const_RDKit__ROMol_const_t) - Static method in class org.RDKit.SWIGTYPE_p_RDKit__MatchingAtomIterator_T_RDKit__Atom_const_RDKit__ROMol_const_t
 
getCPtr(SWIGTYPE_p_RDKit__MatchingAtomIterator_T_RDKit__Atom_RDKit__ROMol_t) - Static method in class org.RDKit.SWIGTYPE_p_RDKit__MatchingAtomIterator_T_RDKit__Atom_RDKit__ROMol_t
 
getCPtr(SWIGTYPE_p_RDKit__MCSParameters) - Static method in class org.RDKit.SWIGTYPE_p_RDKit__MCSParameters
 
getCPtr(SWIGTYPE_p_RDKit__MolDraw2D__TextDrawType) - Static method in class org.RDKit.SWIGTYPE_p_RDKit__MolDraw2D__TextDrawType
 
getCPtr(SWIGTYPE_p_RDKit__SparseIntVectT_unsigned_long_long_t) - Static method in class org.RDKit.SWIGTYPE_p_RDKit__SparseIntVectT_unsigned_long_long_t
 
getCPtr(SWIGTYPE_p_RDNumeric__VectorT_double_t) - Static method in class org.RDKit.SWIGTYPE_p_RDNumeric__VectorT_double_t
 
getCPtr(SWIGTYPE_p_RDNumeric__VectorT_int_t) - Static method in class org.RDKit.SWIGTYPE_p_RDNumeric__VectorT_int_t
 
getCPtr(SWIGTYPE_p_SparseBitVect) - Static method in class org.RDKit.SWIGTYPE_p_SparseBitVect
 
getCPtr(SWIGTYPE_p_std__istream) - Static method in class org.RDKit.SWIGTYPE_p_std__istream
 
getCPtr(SWIGTYPE_p_std__listT_boost__shared_ptrT_RDKit__Conformer_t_t__iterator) - Static method in class org.RDKit.SWIGTYPE_p_std__listT_boost__shared_ptrT_RDKit__Conformer_t_t__iterator
 
getCPtr(SWIGTYPE_p_std__listT_RDKit__Atom_p_t) - Static method in class org.RDKit.SWIGTYPE_p_std__listT_RDKit__Atom_p_t
 
getCPtr(SWIGTYPE_p_std__listT_RDKit__Bond_p_t) - Static method in class org.RDKit.SWIGTYPE_p_std__listT_RDKit__Bond_p_t
 
getCPtr(SWIGTYPE_p_std__mapT_int_std__listT_RDKit__Atom_p_t_t) - Static method in class org.RDKit.SWIGTYPE_p_std__mapT_int_std__listT_RDKit__Atom_p_t_t
 
getCPtr(SWIGTYPE_p_std__mapT_int_std__listT_RDKit__Bond_p_t_t) - Static method in class org.RDKit.SWIGTYPE_p_std__mapT_int_std__listT_RDKit__Bond_p_t_t
 
getCPtr(SWIGTYPE_p_std__mapT_long_long_int_t) - Static method in class org.RDKit.SWIGTYPE_p_std__mapT_long_long_int_t
 
getCPtr(SWIGTYPE_p_std__mapT_std__pairT_boost__int32_t_int_t_double_t) - Static method in class org.RDKit.SWIGTYPE_p_std__mapT_std__pairT_boost__int32_t_int_t_double_t
 
getCPtr(SWIGTYPE_p_std__mapT_unsigned_int_int_t) - Static method in class org.RDKit.SWIGTYPE_p_std__mapT_unsigned_int_int_t
 
getCPtr(SWIGTYPE_p_std__mapT_unsigned_int_std__pairT_double_double_t_t) - Static method in class org.RDKit.SWIGTYPE_p_std__mapT_unsigned_int_std__pairT_double_double_t_t
 
getCPtr(SWIGTYPE_p_std__mapT_unsigned_int_std__vectorT_std__vectorT_int_t_t_t) - Static method in class org.RDKit.SWIGTYPE_p_std__mapT_unsigned_int_std__vectorT_std__vectorT_int_t_t_t
 
getCPtr(SWIGTYPE_p_std__mapT_unsigned_long_long_std__vectorT_std__vectorT_int_t_t_t) - Static method in class org.RDKit.SWIGTYPE_p_std__mapT_unsigned_long_long_std__vectorT_std__vectorT_int_t_t_t
 
getCPtr(SWIGTYPE_p_std__ostream) - Static method in class org.RDKit.SWIGTYPE_p_std__ostream
 
getCPtr(SWIGTYPE_p_std__string) - Static method in class org.RDKit.SWIGTYPE_p_std__string
 
getCPtr(SWIGTYPE_p_std__vectorT_boost__shared_ptrT_DistGeom__ChiralSet_t_t) - Static method in class org.RDKit.SWIGTYPE_p_std__vectorT_boost__shared_ptrT_DistGeom__ChiralSet_t_t
 
getCPtr(SWIGTYPE_p_std__vectorT_boost__shared_ptrT_RDKit__FilterCatalogEntry_const_t_t) - Static method in class org.RDKit.SWIGTYPE_p_std__vectorT_boost__shared_ptrT_RDKit__FilterCatalogEntry_const_t_t
 
getCPtr(SWIGTYPE_p_std__vectorT_boost__shared_ptrT_RDKit__ROMol_t_t__const_iterator) - Static method in class org.RDKit.SWIGTYPE_p_std__vectorT_boost__shared_ptrT_RDKit__ROMol_t_t__const_iterator
 
getCPtr(SWIGTYPE_p_std__vectorT_ExplicitBitVect_p_t) - Static method in class org.RDKit.SWIGTYPE_p_std__vectorT_ExplicitBitVect_p_t
 
getCPtr(SWIGTYPE_p_std__vectorT_RDGeom__Point2D_t) - Static method in class org.RDKit.SWIGTYPE_p_std__vectorT_RDGeom__Point2D_t
 
getCPtr(SWIGTYPE_p_std__vectorT_RDGeom__Point3D_t) - Static method in class org.RDKit.SWIGTYPE_p_std__vectorT_RDGeom__Point3D_t
 
getCPtr(SWIGTYPE_p_std__vectorT_RDKit__Bond_const_p_t) - Static method in class org.RDKit.SWIGTYPE_p_std__vectorT_RDKit__Bond_const_p_t
 
getCPtr(SWIGTYPE_p_std__vectorT_RDKit__Canon__AtomColors_t) - Static method in class org.RDKit.SWIGTYPE_p_std__vectorT_RDKit__Canon__AtomColors_t
 
getCPtr(SWIGTYPE_p_std__vectorT_RDKit__Canon__MolStackElem_t) - Static method in class org.RDKit.SWIGTYPE_p_std__vectorT_RDKit__Canon__MolStackElem_t
 
getCPtr(SWIGTYPE_p_std__vectorT_RDKit__Dict__Pair_t) - Static method in class org.RDKit.SWIGTYPE_p_std__vectorT_RDKit__Dict__Pair_t
 
getCPtr(SWIGTYPE_p_std__vectorT_RDKit__DrawColour_t) - Static method in class org.RDKit.SWIGTYPE_p_std__vectorT_RDKit__DrawColour_t
 
getCPtr(SWIGTYPE_p_std__vectorT_RDKit__FilterCatalogParams__FilterCatalogs_t) - Static method in class org.RDKit.SWIGTYPE_p_std__vectorT_RDKit__FilterCatalogParams__FilterCatalogs_t
 
getCPtr(SWIGTYPE_p_std__vectorT_RDKit__ROMol_const_p_t) - Static method in class org.RDKit.SWIGTYPE_p_std__vectorT_RDKit__ROMol_const_p_t
 
getCPtr(SWIGTYPE_p_std__vectorT_RDKit__ROMol_p_t) - Static method in class org.RDKit.SWIGTYPE_p_std__vectorT_RDKit__ROMol_p_t
 
getCPtr(SWIGTYPE_p_std__vectorT_RDKit__RWMol_p_t) - Static method in class org.RDKit.SWIGTYPE_p_std__vectorT_RDKit__RWMol_p_t
 
getCPtr(SWIGTYPE_p_std__vectorT_RDKit__Snapshot_t) - Static method in class org.RDKit.SWIGTYPE_p_std__vectorT_RDKit__Snapshot_t
 
getCPtr(SWIGTYPE_p_std__vectorT_short_t) - Static method in class org.RDKit.SWIGTYPE_p_std__vectorT_short_t
 
getCPtr(SWIGTYPE_p_std__vectorT_std__mapT_int_double_t_t) - Static method in class org.RDKit.SWIGTYPE_p_std__vectorT_std__mapT_int_double_t_t
 
getCPtr(SWIGTYPE_p_std__vectorT_std__mapT_int_RDKit__DrawColour_t_t) - Static method in class org.RDKit.SWIGTYPE_p_std__vectorT_std__mapT_int_RDKit__DrawColour_t_t
 
getCPtr(SWIGTYPE_p_std__vectorT_std__pairT_std__string_RDKit__MolDraw2D__OrientType_t_t) - Static method in class org.RDKit.SWIGTYPE_p_std__vectorT_std__pairT_std__string_RDKit__MolDraw2D__OrientType_t_t
 
getCPtr(SWIGTYPE_p_std__vectorT_std__pairT_unsigned_int_std__string_t_t) - Static method in class org.RDKit.SWIGTYPE_p_std__vectorT_std__pairT_unsigned_int_std__string_t_t
 
getCPtr(SWIGTYPE_p_std__vectorT_std__streampos_t) - Static method in class org.RDKit.SWIGTYPE_p_std__vectorT_std__streampos_t
 
getCPtr(SWIGTYPE_p_std__vectorT_std__vectorT_boost__uint32_t_t_t) - Static method in class org.RDKit.SWIGTYPE_p_std__vectorT_std__vectorT_boost__uint32_t_t_t
 
getCPtr(SWIGTYPE_p_std__vectorT_std__vectorT_std__pairT_unsigned_int_std__string_t_t_t) - Static method in class org.RDKit.SWIGTYPE_p_std__vectorT_std__vectorT_std__pairT_unsigned_int_std__string_t_t_t
 
getCPtr(SWIGTYPE_p_std__vectorT_std__vectorT_unsigned_long_long_t_t) - Static method in class org.RDKit.SWIGTYPE_p_std__vectorT_std__vectorT_unsigned_long_long_t_t
 
getCPtr(SWIGTYPE_p_unsigned_char) - Static method in class org.RDKit.SWIGTYPE_p_unsigned_char
 
getCPtr(SWIGTYPE_p_unsigned_int) - Static method in class org.RDKit.SWIGTYPE_p_unsigned_int
 
getCPtr(SWIGTYPE_p_void) - Static method in class org.RDKit.SWIGTYPE_p_void
 
getCPtr(TDTMolSupplier) - Static method in class org.RDKit.TDTMolSupplier
 
getCPtr(TDTWriter) - Static method in class org.RDKit.TDTWriter
 
getCPtr(TorsionAngleContrib) - Static method in class org.RDKit.TorsionAngleContrib
 
getCPtr(Trajectory) - Static method in class org.RDKit.Trajectory
 
getCPtr(Transform2D) - Static method in class org.RDKit.Transform2D
 
getCPtr(Transform3D) - Static method in class org.RDKit.Transform3D
 
getCPtr(UChar_Vect) - Static method in class org.RDKit.UChar_Vect
 
getCPtr(UFFAngle) - Static method in class org.RDKit.UFFAngle
 
getCPtr(UFFBond) - Static method in class org.RDKit.UFFBond
 
getCPtr(UFFInv) - Static method in class org.RDKit.UFFInv
 
getCPtr(UFFTor) - Static method in class org.RDKit.UFFTor
 
getCPtr(UFFVdW) - Static method in class org.RDKit.UFFVdW
 
getCPtr(UInt_List) - Static method in class org.RDKit.UInt_List
 
getCPtr(UInt_Pair) - Static method in class org.RDKit.UInt_Pair
 
getCPtr(UInt_Pair_Vect) - Static method in class org.RDKit.UInt_Pair_Vect
 
getCPtr(UInt_Vect) - Static method in class org.RDKit.UInt_Vect
 
getCPtr(UIntMolMap) - Static method in class org.RDKit.UIntMolMap
 
getCPtr(UIntPair) - Static method in class org.RDKit.UIntPair
 
getCPtr(UIntPairVect) - Static method in class org.RDKit.UIntPairVect
 
getCPtr(ValueErrorException) - Static method in class org.RDKit.ValueErrorException
 
getCPtr(vdWContrib) - Static method in class org.RDKit.vdWContrib
 
getCXExtensions(ROMol) - Static method in class org.RDKit.RDKFuncs
 
getCXExtensions(long, ROMol) - Static method in class org.RDKit.RDKFuncsJNI
 
getD1() - Method in class org.RDKit.AtomicParams
 
getD_idx0() - Method in class org.RDKit.ChiralSet
 
getD_idx1() - Method in class org.RDKit.ChiralSet
 
getD_idx2() - Method in class org.RDKit.ChiralSet
 
getD_idx3() - Method in class org.RDKit.ChiralSet
 
getD_idx4() - Method in class org.RDKit.ChiralSet
 
getD_ij() - Method in class org.RDKit.UFFVdW
 
getD_isotopeInfoMap() - Method in class org.RDKit.atomicData
 
getD_volumeLowerBound() - Method in class org.RDKit.ChiralSet
 
getD_volumeUpperBound() - Method in class org.RDKit.ChiralSet
 
getDashNegative() - Method in class org.RDKit.ContourParams
 
getData() - Method in class org.RDKit.Dict
 
getData() - Method in class org.RDKit.DoubleMatrix
 
getData() - Method in class org.RDKit.DoubleSymmMatrix
 
getData() - Method in class org.RDKit.IntMatrix
 
getData() - Method in class org.RDKit.IntSymmMatrix
 
getDataSize() - Method in class org.RDKit.DoubleMatrix
 
getDataSize() - Method in class org.RDKit.DoubleSymmMatrix
 
getDataSize() - Method in class org.RDKit.IntMatrix
 
getDataSize() - Method in class org.RDKit.IntSymmMatrix
 
getDebugParse() - Method in class org.RDKit.SmilesParserParams
 
getDEFAULT_FILTERMATCHERBASE_NAME() - Static method in class org.RDKit.RDKFuncs
 
getDefaultCleanupParameters() - Static method in class org.RDKit.RDKFuncs
 
getDefaultConfId() - Static method in class org.RDKit.RDKFuncs
 
getDefaultDifferenceFPParams() - Static method in class org.RDKit.RDKFuncs
 
getDefaultFeatureSmarts() - Static method in class org.RDKit.RDKFuncs
 
getDefaultStructuralFPParams() - Static method in class org.RDKit.RDKFuncs
 
getDefaultValence(long) - Method in class org.RDKit.PeriodicTable
 
getDefaultValence(String) - Method in class org.RDKit.PeriodicTable
This is an overloaded member function, provided for convenience.
getDEG2RAD() - Static method in class org.RDKit.RDKFuncs
 
getDegree() - Method in class org.RDKit.Atom
getDescription() - Method in class org.RDKit.FilterCatalogEntry
 
getDict() - Method in class org.RDKit.RDProps
 
getDihedralDeg(Conformer, long, long, long, long) - Static method in class org.RDKit.RDKFuncs
 
getDihedralDeg(long, Conformer, long, long, long, long) - Static method in class org.RDKit.RDKFuncsJNI
 
getDihedralRad(Conformer, long, long, long, long) - Static method in class org.RDKit.RDKFuncs
 
getDihedralRad(long, Conformer, long, long, long, long) - Static method in class org.RDKit.RDKFuncsJNI
 
getDIM_2D() - Static method in class org.RDKit.RDKFuncs
 
getDIM_3D() - Static method in class org.RDKit.RDKFuncs
 
getDiscrims() - Static method in class org.RDKit.RDKFuncs
 
getDistanceMat(ROMol, boolean, boolean, boolean, String) - Static method in class org.RDKit.RDKFuncs
Computes the molecule's topological distance matrix.
getDistanceMat(ROMol, boolean, boolean, boolean) - Static method in class org.RDKit.RDKFuncs
Computes the molecule's topological distance matrix.
getDistanceMat(ROMol, boolean, boolean) - Static method in class org.RDKit.RDKFuncs
Computes the molecule's topological distance matrix.
getDistanceMat(ROMol, boolean) - Static method in class org.RDKit.RDKFuncs
Computes the molecule's topological distance matrix.
getDistanceMat(ROMol) - Static method in class org.RDKit.RDKFuncs
Computes the molecule's topological distance matrix.
getDistanceMat(ROMol, Int_Vect, SWIGTYPE_p_std__vectorT_RDKit__Bond_const_p_t, boolean, boolean) - Static method in class org.RDKit.RDKFuncs
Computes the molecule's topological distance matrix.
getDistanceMat(ROMol, Int_Vect, SWIGTYPE_p_std__vectorT_RDKit__Bond_const_p_t, boolean) - Static method in class org.RDKit.RDKFuncs
Computes the molecule's topological distance matrix.
getDistanceMat(ROMol, Int_Vect, SWIGTYPE_p_std__vectorT_RDKit__Bond_const_p_t) - Static method in class org.RDKit.RDKFuncs
Computes the molecule's topological distance matrix.
getDistanceMat(boolean, boolean, boolean, String) - Method in class org.RDKit.ROMol
 
getDistanceMat(boolean, boolean, boolean) - Method in class org.RDKit.ROMol
 
getDistanceMat(boolean, boolean) - Method in class org.RDKit.ROMol
 
getDistanceMat(boolean) - Method in class org.RDKit.ROMol
 
getDistanceMat() - Method in class org.RDKit.ROMol
 
getDistanceMat(Int_Vect, SWIGTYPE_p_std__vectorT_RDKit__Bond_const_p_t, boolean, boolean) - Method in class org.RDKit.ROMol
 
getDistanceMat(Int_Vect, SWIGTYPE_p_std__vectorT_RDKit__Bond_const_p_t, boolean) - Method in class org.RDKit.ROMol
 
getDistanceMat(Int_Vect, SWIGTYPE_p_std__vectorT_RDKit__Bond_const_p_t) - Method in class org.RDKit.ROMol
 
getDistanceMat__SWIG_0(long, ROMol, boolean, boolean, boolean, String) - Static method in class org.RDKit.RDKFuncsJNI
 
getDistanceMat__SWIG_1(long, ROMol, boolean, boolean, boolean) - Static method in class org.RDKit.RDKFuncsJNI
 
getDistanceMat__SWIG_2(long, ROMol, boolean, boolean) - Static method in class org.RDKit.RDKFuncsJNI
 
getDistanceMat__SWIG_3(long, ROMol, boolean) - Static method in class org.RDKit.RDKFuncsJNI
 
getDistanceMat__SWIG_4(long, ROMol) - Static method in class org.RDKit.RDKFuncsJNI
 
getDistanceMat__SWIG_5(long, ROMol, long, Int_Vect, long, boolean, boolean) - Static method in class org.RDKit.RDKFuncsJNI
 
getDistanceMat__SWIG_6(long, ROMol, long, Int_Vect, long, boolean) - Static method in class org.RDKit.RDKFuncsJNI
 
getDistanceMat__SWIG_7(long, ROMol, long, Int_Vect, long) - Static method in class org.RDKit.RDKFuncsJNI
 
getDistanceMatrix_Paths() - Static method in class org.RDKit.RDKFuncs
 
getDoCanonical() - Method in class org.RDKit.CleanupParameters
 
getDrawCoords(Point2D) - Method in class org.RDKit.MolDraw2D
 
getDrawCoords(int) - Method in class org.RDKit.MolDraw2D
 
getDrawingText() - Method in class org.RDKit.MolDraw2DSVG
 
getDummiesAreAttachments() - Method in class org.RDKit.MolDrawOptions
 
getDummyLabel() - Static method in class org.RDKit.RDKFuncs
 
getElectronMass() - Static method in class org.RDKit.RDKFuncs
 
getElement(int) - Method in class org.RDKit.Shared_Double_Array
 
getElement(int) - Method in class org.RDKit.Shared_Int_Array
 
getElementSymbol(long) - Method in class org.RDKit.PeriodicTable
 
getEmbedFragmentsSeparately() - Method in class org.RDKit.EmbedParameters
 
getEndAtom() - Method in class org.RDKit.Bond
getEndAtomIdx() - Method in class org.RDKit.Bond
getEndianId() - Static method in class org.RDKit.RDKFuncs
 
getEnergy(SWIGTYPE_p_double) - Method in class org.RDKit.AngleBendContrib
 
getEnergy(SWIGTYPE_p_double) - Method in class org.RDKit.BondStretchContrib
 
getEnergy(SWIGTYPE_p_double) - Method in class org.RDKit.DistanceConstraintContrib
 
getEnergy(SWIGTYPE_p_double) - Method in class org.RDKit.ForceFieldContrib
 
getEnergy(SWIGTYPE_p_double) - Method in class org.RDKit.InversionContrib
 
getEnergy() - Method in class org.RDKit.Snapshot
 
getEnergy(SWIGTYPE_p_double) - Method in class org.RDKit.TorsionAngleContrib
 
getEnergy(SWIGTYPE_p_double) - Method in class org.RDKit.vdWContrib
 
getEnforceChirality() - Method in class org.RDKit.EmbedParameters
 
getEntry(long) - Method in class org.RDKit.FilterCatalog
 
getEOFHitOnRead() - Method in class org.RDKit.ForwardSDMolSupplier
 
getEPS_DOUBLE() - Static method in class org.RDKit.RDKFuncs
 
getETDG() - Static method in class org.RDKit.RDKFuncs
 
getETDG() - Static method in class org.RDKit.RDKFuncsJNI
 
getETKDG() - Static method in class org.RDKit.RDKFuncs
 
getETKDG() - Static method in class org.RDKit.RDKFuncsJNI
 
getETKDGv2() - Static method in class org.RDKit.RDKFuncs
 
getETKDGv2() - Static method in class org.RDKit.RDKFuncsJNI
 
getETversion() - Method in class org.RDKit.EmbedParameters
 
getExactmwVersion() - Static method in class org.RDKit.RDKFuncs
 
getExplicitValence() - Method in class org.RDKit.Atom
 
getExtraGridPadding() - Method in class org.RDKit.ContourParams
 
getExtraRings() - Static method in class org.RDKit.RDKFuncs
 
getFeatureFingerprint(ROMol, long, boolean, boolean, boolean) - Static method in class org.RDKit.RDKFuncs
 
getFeatureFingerprint(ROMol, long, boolean, boolean) - Static method in class org.RDKit.RDKFuncs
 
getFeatureFingerprint(ROMol, long, boolean) - Static method in class org.RDKit.RDKFuncs
 
getFeatureFingerprint(ROMol, long) - Static method in class org.RDKit.RDKFuncs
 
getFeatureFingerprint__SWIG_0(long, ROMol, long, boolean, boolean, boolean) - Static method in class org.RDKit.RDKFuncsJNI
 
getFeatureFingerprint__SWIG_1(long, ROMol, long, boolean, boolean) - Static method in class org.RDKit.RDKFuncsJNI
 
getFeatureFingerprint__SWIG_2(long, ROMol, long, boolean) - Static method in class org.RDKit.RDKFuncsJNI
 
getFeatureFingerprint__SWIG_3(long, ROMol, long) - Static method in class org.RDKit.RDKFuncsJNI
 
getFeatureInvariants(ROMol, UInt_Vect, SWIGTYPE_p_std__vectorT_RDKit__ROMol_const_p_t) - Static method in class org.RDKit.RDKFuncs
 
getFeatureInvariants(ROMol, UInt_Vect) - Static method in class org.RDKit.RDKFuncs
 
getFeatureInvariants__SWIG_0(long, ROMol, long, UInt_Vect, long) - Static method in class org.RDKit.RDKFuncsJNI
 
getFeatureInvariants__SWIG_1(long, ROMol, long, UInt_Vect) - Static method in class org.RDKit.RDKFuncsJNI
 
getFillGrid() - Method in class org.RDKit.ContourParams
 
getFillHighlights() - Method in class org.RDKit.MolDrawOptions
 
getFilterMatch() - Method in class org.RDKit.FilterMatch
 
getFilterMatches(ROMol) - Method in class org.RDKit.FilterCatalog
 
getFilterMatches(ROMol, FilterMatch_Vect) - Method in class org.RDKit.FilterCatalogEntry
 
getFilterMatches(ROMol) - Method in class org.RDKit.FilterCatalogEntry
 
getFingerprint(long) - Method in class org.RDKit.FPHolderBase
 
getFingerprints() - Method in class org.RDKit.FPHolderBase
 
getFingerprints() - Method in class org.RDKit.SubstructLibrary
 
getFirst() - Method in class org.RDKit.Double_Pair
 
getFirst() - Method in class org.RDKit.Flagged_Atomic_Params_Vect
 
getFirst() - Method in class org.RDKit.Float_Pair
 
getFirst() - Method in class org.RDKit.Int_Pair
 
getFirst() - Method in class org.RDKit.Long_Pair
 
getFirst() - Method in class org.RDKit.StringInt_Pair
 
getFirst() - Method in class org.RDKit.UInt_Pair
 
getFirst() - Method in class org.RDKit.UIntPair
 
getFirstMatch(ROMol) - Method in class org.RDKit.FilterCatalog
 
getFlagCloseContactsDist() - Method in class org.RDKit.MolDrawOptions
 
getForceV3000() - Method in class org.RDKit.SDWriter
 
getFormalCharge() - Method in class org.RDKit.Atom
 
getFormalCharge(ROMol) - Static method in class org.RDKit.RDKFuncs
 
getFormalCharge(long, ROMol) - Static method in class org.RDKit.RDKFuncsJNI
 
getFpHolder() - Method in class org.RDKit.SubstructLibrary
 
getFpSize() - Method in class org.RDKit.ReactionFingerprintParams
 
getFpType() - Method in class org.RDKit.ReactionFingerprintParams
 
getFractionCSP3Version() - Static method in class org.RDKit.RDKFuncs
 
getFragmentFile() - Method in class org.RDKit.CleanupParameters
 
getG() - Method in class org.RDKit.DrawColour
 
getG() - Static method in class org.RDKit.RDKFuncs
 
getGMP_Hardness() - Method in class org.RDKit.AtomicParams
 
getGMP_Radius() - Method in class org.RDKit.AtomicParams
 
getGMP_Xi() - Method in class org.RDKit.AtomicParams
 
getGrad(SWIGTYPE_p_double, SWIGTYPE_p_double) - Method in class org.RDKit.AngleBendContrib
 
getGrad(SWIGTYPE_p_double, SWIGTYPE_p_double) - Method in class org.RDKit.BondStretchContrib
 
getGrad(SWIGTYPE_p_double, SWIGTYPE_p_double) - Method in class org.RDKit.DistanceConstraintContrib
 
getGrad(SWIGTYPE_p_double, SWIGTYPE_p_double) - Method in class org.RDKit.ForceFieldContrib
 
getGrad(SWIGTYPE_p_double, SWIGTYPE_p_double) - Method in class org.RDKit.InversionContrib
 
getGrad(SWIGTYPE_p_double, SWIGTYPE_p_double) - Method in class org.RDKit.TorsionAngleContrib
 
getGrad(SWIGTYPE_p_double, SWIGTYPE_p_double) - Method in class org.RDKit.vdWContrib
 
getGridResolution() - Method in class org.RDKit.ContourParams
 
getGroupType() - Method in class org.RDKit.StereoGroup
 
getHallKierAlphaVersion() - Static method in class org.RDKit.RDKFuncs
 
getHashedAtomPairFingerprint(ROMol, long, long, long, UInt_Vect, UInt_Vect, UInt_Vect, boolean, boolean, int) - Static method in class org.RDKit.RDKFuncs
 
getHashedAtomPairFingerprint(ROMol, long, long, long, UInt_Vect, UInt_Vect, UInt_Vect, boolean, boolean) - Static method in class org.RDKit.RDKFuncs
 
getHashedAtomPairFingerprint(ROMol, long, long, long, UInt_Vect, UInt_Vect, UInt_Vect, boolean) - Static method in class org.RDKit.RDKFuncs
 
getHashedAtomPairFingerprint(ROMol, long, long, long, UInt_Vect, UInt_Vect, UInt_Vect) - Static method in class org.RDKit.RDKFuncs
 
getHashedAtomPairFingerprint(ROMol, long, long, long, UInt_Vect, UInt_Vect) - Static method in class org.RDKit.RDKFuncs
 
getHashedAtomPairFingerprint(ROMol, long, long, long, UInt_Vect) - Static method in class org.RDKit.RDKFuncs
 
getHashedAtomPairFingerprint(ROMol, long, long, long) - Static method in class org.RDKit.RDKFuncs
 
getHashedAtomPairFingerprint(ROMol, long, long) - Static method in class org.RDKit.RDKFuncs
 
getHashedAtomPairFingerprint(ROMol, long) - Static method in class org.RDKit.RDKFuncs
 
getHashedAtomPairFingerprint(ROMol) - Static method in class org.RDKit.RDKFuncs
 
getHashedAtomPairFingerprint__SWIG_0(long, ROMol, long, long, long, long, UInt_Vect, long, UInt_Vect, long, UInt_Vect, boolean, boolean, int) - Static method in class org.RDKit.RDKFuncsJNI
 
getHashedAtomPairFingerprint__SWIG_1(long, ROMol, long, long, long, long, UInt_Vect, long, UInt_Vect, long, UInt_Vect, boolean, boolean) - Static method in class org.RDKit.RDKFuncsJNI
 
getHashedAtomPairFingerprint__SWIG_2(long, ROMol, long, long, long, long, UInt_Vect, long, UInt_Vect, long, UInt_Vect, boolean) - Static method in class org.RDKit.RDKFuncsJNI
 
getHashedAtomPairFingerprint__SWIG_3(long, ROMol, long, long, long, long, UInt_Vect, long, UInt_Vect, long, UInt_Vect) - Static method in class org.RDKit.RDKFuncsJNI
 
getHashedAtomPairFingerprint__SWIG_4(long, ROMol, long, long, long, long, UInt_Vect, long, UInt_Vect) - Static method in class org.RDKit.RDKFuncsJNI
 
getHashedAtomPairFingerprint__SWIG_5(long, ROMol, long, long, long, long, UInt_Vect) - Static method in class org.RDKit.RDKFuncsJNI
 
getHashedAtomPairFingerprint__SWIG_6(long, ROMol, long, long, long) - Static method in class org.RDKit.RDKFuncsJNI
 
getHashedAtomPairFingerprint__SWIG_7(long, ROMol, long, long) - Static method in class org.RDKit.RDKFuncsJNI
 
getHashedAtomPairFingerprint__SWIG_8(long, ROMol, long) - Static method in class org.RDKit.RDKFuncsJNI
 
getHashedAtomPairFingerprint__SWIG_9(long, ROMol) - Static method in class org.RDKit.RDKFuncsJNI
 
getHashedAtomPairFingerprintAsBitVect(ROMol, long, long, long, UInt_Vect, UInt_Vect, UInt_Vect, long, boolean, boolean, int) - Static method in class org.RDKit.RDKFuncs
 
getHashedAtomPairFingerprintAsBitVect(ROMol, long, long, long, UInt_Vect, UInt_Vect, UInt_Vect, long, boolean, boolean) - Static method in class org.RDKit.RDKFuncs
 
getHashedAtomPairFingerprintAsBitVect(ROMol, long, long, long, UInt_Vect, UInt_Vect, UInt_Vect, long, boolean) - Static method in class org.RDKit.RDKFuncs
 
getHashedAtomPairFingerprintAsBitVect(ROMol, long, long, long, UInt_Vect, UInt_Vect, UInt_Vect, long) - Static method in class org.RDKit.RDKFuncs
 
getHashedAtomPairFingerprintAsBitVect(ROMol, long, long, long, UInt_Vect, UInt_Vect, UInt_Vect) - Static method in class org.RDKit.RDKFuncs
 
getHashedAtomPairFingerprintAsBitVect(ROMol, long, long, long, UInt_Vect, UInt_Vect) - Static method in class org.RDKit.RDKFuncs
 
getHashedAtomPairFingerprintAsBitVect(ROMol, long, long, long, UInt_Vect) - Static method in class org.RDKit.RDKFuncs
 
getHashedAtomPairFingerprintAsBitVect(ROMol, long, long, long) - Static method in class org.RDKit.RDKFuncs
 
getHashedAtomPairFingerprintAsBitVect(ROMol, long, long) - Static method in class org.RDKit.RDKFuncs
 
getHashedAtomPairFingerprintAsBitVect(ROMol, long) - Static method in class org.RDKit.RDKFuncs
 
getHashedAtomPairFingerprintAsBitVect(ROMol) - Static method in class org.RDKit.RDKFuncs
 
getHashedAtomPairFingerprintAsBitVect__SWIG_0(long, ROMol, long, long, long, long, UInt_Vect, long, UInt_Vect, long, UInt_Vect, long, boolean, boolean, int) - Static method in class org.RDKit.RDKFuncsJNI
 
getHashedAtomPairFingerprintAsBitVect__SWIG_1(long, ROMol, long, long, long, long, UInt_Vect, long, UInt_Vect, long, UInt_Vect, long, boolean, boolean) - Static method in class org.RDKit.RDKFuncsJNI
 
getHashedAtomPairFingerprintAsBitVect__SWIG_10(long, ROMol) - Static method in class org.RDKit.RDKFuncsJNI
 
getHashedAtomPairFingerprintAsBitVect__SWIG_2(long, ROMol, long, long, long, long, UInt_Vect, long, UInt_Vect, long, UInt_Vect, long, boolean) - Static method in class org.RDKit.RDKFuncsJNI
 
getHashedAtomPairFingerprintAsBitVect__SWIG_3(long, ROMol, long, long, long, long, UInt_Vect, long, UInt_Vect, long, UInt_Vect, long) - Static method in class org.RDKit.RDKFuncsJNI
 
getHashedAtomPairFingerprintAsBitVect__SWIG_4(long, ROMol, long, long, long, long, UInt_Vect, long, UInt_Vect, long, UInt_Vect) - Static method in class org.RDKit.RDKFuncsJNI
 
getHashedAtomPairFingerprintAsBitVect__SWIG_5(long, ROMol, long, long, long, long, UInt_Vect, long, UInt_Vect) - Static method in class org.RDKit.RDKFuncsJNI
 
getHashedAtomPairFingerprintAsBitVect__SWIG_6(long, ROMol, long, long, long, long, UInt_Vect) - Static method in class org.RDKit.RDKFuncsJNI
 
getHashedAtomPairFingerprintAsBitVect__SWIG_7(long, ROMol, long, long, long) - Static method in class org.RDKit.RDKFuncsJNI
 
getHashedAtomPairFingerprintAsBitVect__SWIG_8(long, ROMol, long, long) - Static method in class org.RDKit.RDKFuncsJNI
 
getHashedAtomPairFingerprintAsBitVect__SWIG_9(long, ROMol, long) - Static method in class org.RDKit.RDKFuncsJNI
 
getHashedFingerprint(ROMol, long, long, UInt_Vect, UInt_Vect, boolean, boolean, boolean, BitInfoMap) - Static method in class org.RDKit.RDKFuncs
 
getHashedFingerprint(ROMol, long, long, UInt_Vect, UInt_Vect, boolean, boolean, boolean) - Static method in class org.RDKit.RDKFuncs
 
getHashedFingerprint(ROMol, long, long, UInt_Vect, UInt_Vect, boolean, boolean) - Static method in class org.RDKit.RDKFuncs
 
getHashedFingerprint(ROMol, long, long, UInt_Vect, UInt_Vect, boolean) - Static method in class org.RDKit.RDKFuncs
 
getHashedFingerprint(ROMol, long, long, UInt_Vect, UInt_Vect) - Static method in class org.RDKit.RDKFuncs
 
getHashedFingerprint(ROMol, long, long, UInt_Vect) - Static method in class org.RDKit.RDKFuncs
 
getHashedFingerprint(ROMol, long, long) - Static method in class org.RDKit.RDKFuncs
 
getHashedFingerprint(ROMol, long) - Static method in class org.RDKit.RDKFuncs
 
getHashedFingerprint__SWIG_0(long, ROMol, long, long, long, UInt_Vect, long, UInt_Vect, boolean, boolean, boolean, long, BitInfoMap) - Static method in class org.RDKit.RDKFuncsJNI
 
getHashedFingerprint__SWIG_1(long, ROMol, long, long, long, UInt_Vect, long, UInt_Vect, boolean, boolean, boolean) - Static method in class org.RDKit.RDKFuncsJNI
 
getHashedFingerprint__SWIG_2(long, ROMol, long, long, long, UInt_Vect, long, UInt_Vect, boolean, boolean) - Static method in class org.RDKit.RDKFuncsJNI
 
getHashedFingerprint__SWIG_3(long, ROMol, long, long, long, UInt_Vect, long, UInt_Vect, boolean) - Static method in class org.RDKit.RDKFuncsJNI
 
getHashedFingerprint__SWIG_4(long, ROMol, long, long, long, UInt_Vect, long, UInt_Vect) - Static method in class org.RDKit.RDKFuncsJNI
 
getHashedFingerprint__SWIG_5(long, ROMol, long, long, long, UInt_Vect) - Static method in class org.RDKit.RDKFuncsJNI
 
getHashedFingerprint__SWIG_6(long, ROMol, long, long) - Static method in class org.RDKit.RDKFuncsJNI
 
getHashedFingerprint__SWIG_7(long, ROMol, long) - Static method in class org.RDKit.RDKFuncsJNI
 
getHashedTopologicalTorsionFingerprint(ROMol, long, long, UInt_Vect, UInt_Vect, UInt_Vect, boolean) - Static method in class org.RDKit.RDKFuncs
 
getHashedTopologicalTorsionFingerprint(ROMol, long, long, UInt_Vect, UInt_Vect, UInt_Vect) - Static method in class org.RDKit.RDKFuncs
 
getHashedTopologicalTorsionFingerprint(ROMol, long, long, UInt_Vect, UInt_Vect) - Static method in class org.RDKit.RDKFuncs
 
getHashedTopologicalTorsionFingerprint(ROMol, long, long, UInt_Vect) - Static method in class org.RDKit.RDKFuncs
 
getHashedTopologicalTorsionFingerprint(ROMol, long, long) - Static method in class org.RDKit.RDKFuncs
 
getHashedTopologicalTorsionFingerprint(ROMol, long) - Static method in class org.RDKit.RDKFuncs
 
getHashedTopologicalTorsionFingerprint(ROMol) - Static method in class org.RDKit.RDKFuncs
 
getHashedTopologicalTorsionFingerprint__SWIG_0(long, ROMol, long, long, long, UInt_Vect, long, UInt_Vect, long, UInt_Vect, boolean) - Static method in class org.RDKit.RDKFuncsJNI
 
getHashedTopologicalTorsionFingerprint__SWIG_1(long, ROMol, long, long, long, UInt_Vect, long, UInt_Vect, long, UInt_Vect) - Static method in class org.RDKit.RDKFuncsJNI
 
getHashedTopologicalTorsionFingerprint__SWIG_2(long, ROMol, long, long, long, UInt_Vect, long, UInt_Vect) - Static method in class org.RDKit.RDKFuncsJNI
 
getHashedTopologicalTorsionFingerprint__SWIG_3(long, ROMol, long, long, long, UInt_Vect) - Static method in class org.RDKit.RDKFuncsJNI
 
getHashedTopologicalTorsionFingerprint__SWIG_4(long, ROMol, long, long) - Static method in class org.RDKit.RDKFuncsJNI
 
getHashedTopologicalTorsionFingerprint__SWIG_5(long, ROMol, long) - Static method in class org.RDKit.RDKFuncsJNI
 
getHashedTopologicalTorsionFingerprint__SWIG_6(long, ROMol) - Static method in class org.RDKit.RDKFuncsJNI
 
getHashedTopologicalTorsionFingerprintAsBitVect(ROMol, long, long, UInt_Vect, UInt_Vect, UInt_Vect, long, boolean) - Static method in class org.RDKit.RDKFuncs
 
getHashedTopologicalTorsionFingerprintAsBitVect(ROMol, long, long, UInt_Vect, UInt_Vect, UInt_Vect, long) - Static method in class org.RDKit.RDKFuncs
 
getHashedTopologicalTorsionFingerprintAsBitVect(ROMol, long, long, UInt_Vect, UInt_Vect, UInt_Vect) - Static method in class org.RDKit.RDKFuncs
 
getHashedTopologicalTorsionFingerprintAsBitVect(ROMol, long, long, UInt_Vect, UInt_Vect) - Static method in class org.RDKit.RDKFuncs
 
getHashedTopologicalTorsionFingerprintAsBitVect(ROMol, long, long, UInt_Vect) - Static method in class org.RDKit.RDKFuncs
 
getHashedTopologicalTorsionFingerprintAsBitVect(ROMol, long, long) - Static method in class org.RDKit.RDKFuncs
 
getHashedTopologicalTorsionFingerprintAsBitVect(ROMol, long) - Static method in class org.RDKit.RDKFuncs
 
getHashedTopologicalTorsionFingerprintAsBitVect(ROMol) - Static method in class org.RDKit.RDKFuncs
 
getHashedTopologicalTorsionFingerprintAsBitVect__SWIG_0(long, ROMol, long, long, long, UInt_Vect, long, UInt_Vect, long, UInt_Vect, long, boolean) - Static method in class org.RDKit.RDKFuncsJNI
 
getHashedTopologicalTorsionFingerprintAsBitVect__SWIG_1(long, ROMol, long, long, long, UInt_Vect, long, UInt_Vect, long, UInt_Vect, long) - Static method in class org.RDKit.RDKFuncsJNI
 
getHashedTopologicalTorsionFingerprintAsBitVect__SWIG_2(long, ROMol, long, long, long, UInt_Vect, long, UInt_Vect, long, UInt_Vect) - Static method in class org.RDKit.RDKFuncsJNI
 
getHashedTopologicalTorsionFingerprintAsBitVect__SWIG_3(long, ROMol, long, long, long, UInt_Vect, long, UInt_Vect) - Static method in class org.RDKit.RDKFuncsJNI
 
getHashedTopologicalTorsionFingerprintAsBitVect__SWIG_4(long, ROMol, long, long, long, UInt_Vect) - Static method in class org.RDKit.RDKFuncsJNI
 
getHashedTopologicalTorsionFingerprintAsBitVect__SWIG_5(long, ROMol, long, long) - Static method in class org.RDKit.RDKFuncsJNI
 
getHashedTopologicalTorsionFingerprintAsBitVect__SWIG_6(long, ROMol, long) - Static method in class org.RDKit.RDKFuncsJNI
 
getHashedTopologicalTorsionFingerprintAsBitVect__SWIG_7(long, ROMol) - Static method in class org.RDKit.RDKFuncsJNI
 
getHighlightColour() - Method in class org.RDKit.MolDrawOptions
 
getHighlightColourPalette() - Method in class org.RDKit.MolDrawOptions
 
getHybridization() - Method in class org.RDKit.Atom
 
getId() - Method in class org.RDKit.Conformer
 
getIdx() - Method in class org.RDKit.Atom
 
getIdx() - Method in class org.RDKit.Bond
getIdxForEntry(FilterCatalogEntry) - Method in class org.RDKit.FilterCatalog
 
getIgnoreSmoothingFailures() - Method in class org.RDKit.EmbedParameters
 
getImplicitPropertiesFlag() - Method in class org.RDKit.ChemicalReaction
getImplicitValence() - Method in class org.RDKit.Atom
getIncludeAgents() - Method in class org.RDKit.ReactionFingerprintParams
 
getIncludeAtomTags() - Method in class org.RDKit.MolDrawOptions
 
getInsertionCode() - Method in class org.RDKit.AtomPDBResidueInfo
 
getInternalRgroupSmiles() - Static method in class org.RDKit.RDKFuncs
 
getIsAromatic() - Method in class org.RDKit.Atom
 
getIsAromatic() - Method in class org.RDKit.Bond
 
getIsConjugated() - Method in class org.RDKit.Bond
 
getIsEnumerated() - Method in class org.RDKit.ResonanceMolSupplier
 
getIsHeteroAtom() - Method in class org.RDKit.AtomPDBResidueInfo
 
getIsImplicit() - Static method in class org.RDKit.RDKFuncs
 
getIsotope() - Method in class org.RDKit.Atom
 
getIsotopesAtomData() - Static method in class org.RDKit.RDKFuncs
 
getitem(int) - Method in class org.RDKit.Double_Array
 
getItemText(long) - Method in class org.RDKit.SDMolSupplier
getItemText(long) - Method in class org.RDKit.SmilesMolSupplier
getItemText(long) - Method in class org.RDKit.TDTMolSupplier
getK() - Method in class org.RDKit.UFFInv
 
getKa() - Method in class org.RDKit.UFFAngle
 
getKappa1Version() - Static method in class org.RDKit.RDKFuncs
 
getKappa2Version() - Static method in class org.RDKit.RDKFuncs
 
getKappa3Version() - Static method in class org.RDKit.RDKFuncs
 
getKb() - Method in class org.RDKit.UFFBond
 
getKDG() - Static method in class org.RDKit.RDKFuncs
 
getKDG() - Static method in class org.RDKit.RDKFuncsJNI
 
getKekulize() - Method in class org.RDKit.SDWriter
 
getLabels() - Method in class org.RDKit.RGroupDecompositionParameters
 
getLabuteASAVersion() - Static method in class org.RDKit.RDKFuncs
 
getLabuteAtomContribs(ROMol, Double_Vect, SWIGTYPE_p_double, boolean, boolean) - Static method in class org.RDKit.RDKFuncs
 
getLabuteAtomContribs(ROMol, Double_Vect, SWIGTYPE_p_double, boolean) - Static method in class org.RDKit.RDKFuncs
 
getLabuteAtomContribs(ROMol, Double_Vect, SWIGTYPE_p_double) - Static method in class org.RDKit.RDKFuncs
 
getLabuteAtomContribs__SWIG_0(long, ROMol, long, Double_Vect, long, boolean, boolean) - Static method in class org.RDKit.RDKFuncsJNI
 
getLabuteAtomContribs__SWIG_1(long, ROMol, long, Double_Vect, long, boolean) - Static method in class org.RDKit.RDKFuncsJNI
 
getLabuteAtomContribs__SWIG_2(long, ROMol, long, Double_Vect, long) - Static method in class org.RDKit.RDKFuncsJNI
 
getLambda() - Static method in class org.RDKit.RDKFuncs
 
getLastAtom() - Method in class org.RDKit.RWMol
 
getLayeredFingerprintMolVersion() - Static method in class org.RDKit.RDKFuncs
 
getLegendColour() - Method in class org.RDKit.MolDrawOptions
 
getLegendFontSize() - Method in class org.RDKit.MolDrawOptions
 
getLength() - Method in class org.RDKit.SparseIntVect32
 
getLength() - Method in class org.RDKit.SparseIntVect64
 
getLength() - Method in class org.RDKit.SparseIntVectu32
 
getLipinskiHBAVersion() - Static method in class org.RDKit.RDKFuncs
 
getLipinskiHBDVersion() - Static method in class org.RDKit.RDKFuncs
 
getLogPtr() - Method in class org.RDKit.ExtraInchiReturnValues
 
getLowerBound(long, long) - Method in class org.RDKit.BoundsMatrix
 
getLowerVolumeBound() - Method in class org.RDKit.ChiralSet
 
getMaccsFingerprintVersion() - Static method in class org.RDKit.RDKFuncs
 
getMakeAtomsGeneric() - Method in class org.RDKit.AdjustQueryParameters
 
getMakeAtomsGenericFlags() - Method in class org.RDKit.AdjustQueryParameters
 
getMakeBondsGeneric() - Method in class org.RDKit.AdjustQueryParameters
 
getMakeBondsGenericFlags() - Method in class org.RDKit.AdjustQueryParameters
 
getMakeDummiesQueries() - Method in class org.RDKit.AdjustQueryParameters
 
getMass() - Method in class org.RDKit.Atom
 
getMassForIsotope(long, long) - Method in class org.RDKit.PeriodicTable
 
getMassForIsotope(String, long) - Method in class org.RDKit.PeriodicTable
 
getMassIntegerConversionFactor() - Static method in class org.RDKit.RDKFuncs
 
getMatchChiralTag() - Method in class org.RDKit.MCSAtomCompareParameters
 
getMatcher() - Method in class org.RDKit.ss_matcher
 
getMatches(ROMol) - Method in class org.RDKit.FilterCatalog
 
getMatches(ROMol, FilterMatch_Vect) - Method in class org.RDKit.FilterMatcherBase
 
getMatches(ROMol, boolean, boolean, boolean, int, int) - Method in class org.RDKit.SubstructLibrary
 
getMatches(ROMol, boolean, boolean, boolean, int) - Method in class org.RDKit.SubstructLibrary
 
getMatches(ROMol, boolean, boolean, boolean) - Method in class org.RDKit.SubstructLibrary
 
getMatches(ROMol, boolean, boolean) - Method in class org.RDKit.SubstructLibrary
 
getMatches(ROMol, boolean) - Method in class org.RDKit.SubstructLibrary
 
getMatches(ROMol) - Method in class org.RDKit.SubstructLibrary
 
getMatches(ROMol, long, long, boolean, boolean, boolean, int, int) - Method in class org.RDKit.SubstructLibrary
 
getMatches(ROMol, long, long, boolean, boolean, boolean, int) - Method in class org.RDKit.SubstructLibrary
 
getMatches(ROMol, long, long, boolean, boolean, boolean) - Method in class org.RDKit.SubstructLibrary
 
getMatches(ROMol, long, long, boolean, boolean) - Method in class org.RDKit.SubstructLibrary
 
getMatches(ROMol, long, long, boolean) - Method in class org.RDKit.SubstructLibrary
 
getMatches(ROMol, long, long) - Method in class org.RDKit.SubstructLibrary
 
getMatchFormalCharge() - Method in class org.RDKit.MCSAtomCompareParameters
 
getMatchFusedRings() - Method in class org.RDKit.MCSBondCompareParameters
 
getMatchFusedRingsStrict() - Method in class org.RDKit.MCSBondCompareParameters
 
getMatchingStrategy() - Method in class org.RDKit.RGroupDecompositionParameters
 
getMatchStereo() - Method in class org.RDKit.MCSBondCompareParameters
 
getMatchValences() - Method in class org.RDKit.MCSAtomCompareParameters
 
getMAX_BONDTYPE() - Static method in class org.RDKit.RDKFuncs
 
getMAX_CYCLES() - Static method in class org.RDKit.RDKFuncs
 
getMAX_DOUBLE() - Static method in class org.RDKit.RDKFuncs
 
getMAX_INT() - Static method in class org.RDKit.RDKFuncs
 
getMAX_LONGINT() - Static method in class org.RDKit.RDKFuncs
 
getMAX_NATOMS() - Static method in class org.RDKit.RDKFuncs
 
getMaxAttachIdx() - Static method in class org.RDKit.RDKFuncs
 
getMaxFingerprintLayers() - Static method in class org.RDKit.RDKFuncs
 
getMaxIterations() - Method in class org.RDKit.EmbedParameters
 
getMaxMatches() - Method in class org.RDKit.SubstructMatchParameters
 
getMaxNumBranches() - Static method in class org.RDKit.RDKFuncs
 
getMaxNumPi() - Static method in class org.RDKit.RDKFuncs
 
getMaxPathLen() - Static method in class org.RDKit.RDKFuncs
 
getMaxRestarts() - Method in class org.RDKit.CleanupParameters
 
getMaxTautomers() - Method in class org.RDKit.CleanupParameters
 
getMessagePtr() - Method in class org.RDKit.ExtraInchiReturnValues
 
getMol(long) - Method in class org.RDKit.CachedMolHolder
 
getMol(long) - Method in class org.RDKit.CachedSmilesMolHolder
 
getMol(long) - Method in class org.RDKit.CachedTrustedSmilesMolHolder
 
getMol(long) - Method in class org.RDKit.MolHolder
 
getMol(long) - Method in class org.RDKit.MolHolderBase
 
getMol(long) - Method in class org.RDKit.SubstructLibrary
 
getMolAtomMapNumber() - Static method in class org.RDKit.RDKFuncs
 
getMolecules() - Method in class org.RDKit.SubstructLibrary
 
getMOLFILE_MAXLINE() - Static method in class org.RDKit.RDKFuncs
 
getMolFileAlias() - Static method in class org.RDKit.RDKFuncs
 
getMolFileComments() - Static method in class org.RDKit.RDKFuncs
 
getMolFileInfo() - Static method in class org.RDKit.RDKFuncs
 
getMolFileValue() - Static method in class org.RDKit.RDKFuncs
 
getMolFrags(ROMol, Int_Vect) - Static method in class org.RDKit.RDKFuncs
 
getMolFrags(ROMol, Int_Vect_Vect) - Static method in class org.RDKit.RDKFuncs
 
getMolFrags(ROMol, boolean, Int_Vect, Int_Vect_Vect, boolean) - Static method in class org.RDKit.RDKFuncs
 
getMolFrags(ROMol, boolean, Int_Vect, Int_Vect_Vect) - Static method in class org.RDKit.RDKFuncs
 
getMolFrags(ROMol, boolean, Int_Vect) - Static method in class org.RDKit.RDKFuncs
 
getMolFrags(ROMol, boolean) - Static method in class org.RDKit.RDKFuncs
splits a molecule into its component fragments
getMolFrags(ROMol) - Static method in class org.RDKit.RDKFuncs
splits a molecule into its component fragments
getMolFrags__SWIG_0(long, ROMol, long, Int_Vect) - Static method in class org.RDKit.RDKFuncsJNI
 
getMolFrags__SWIG_1(long, ROMol, long, Int_Vect_Vect) - Static method in class org.RDKit.RDKFuncsJNI
 
getMolFrags__SWIG_2(long, ROMol, boolean, long, Int_Vect, long, Int_Vect_Vect, boolean) - Static method in class org.RDKit.RDKFuncsJNI
 
getMolFrags__SWIG_3(long, ROMol, boolean, long, Int_Vect, long, Int_Vect_Vect) - Static method in class org.RDKit.RDKFuncsJNI
 
getMolFrags__SWIG_4(long, ROMol, boolean, long, Int_Vect) - Static method in class org.RDKit.RDKFuncsJNI
 
getMolFrags__SWIG_5(long, ROMol, boolean) - Static method in class org.RDKit.RDKFuncsJNI
 
getMolFrags__SWIG_6(long, ROMol) - Static method in class org.RDKit.RDKFuncsJNI
 
getMolHolder() - Method in class org.RDKit.SubstructLibrary
 
getMolInversionFlag() - Static method in class org.RDKit.RDKFuncs
 
getMolParity() - Static method in class org.RDKit.RDKFuncs
 
getMolRxnComponent() - Static method in class org.RDKit.RDKFuncs
 
getMolRxnRole() - Static method in class org.RDKit.RDKFuncs
 
getMols() - Method in class org.RDKit.CachedMolHolder
 
getMols() - Method in class org.RDKit.CachedSmilesMolHolder
 
getMols() - Method in class org.RDKit.CachedTrustedSmilesMolHolder
 
getMols() - Method in class org.RDKit.MolHolder
 
getMolTotValence() - Static method in class org.RDKit.RDKFuncs
 
getMonomerInfo() - Method in class org.RDKit.Atom
 
getMonomerType() - Method in class org.RDKit.AtomMonomerInfo
 
getMorganConnectivityInvariantVersion() - Static method in class org.RDKit.RDKFuncs
 
getMorganFeatureInvariantVersion() - Static method in class org.RDKit.RDKFuncs
 
getMorganFingerprintAsBitVect(ROMol, long, long, UInt_Vect, UInt_Vect, boolean, boolean, boolean, BitInfoMap) - Static method in class org.RDKit.RDKFuncs
 
getMorganFingerprintAsBitVect(ROMol, long, long, UInt_Vect, UInt_Vect, boolean, boolean, boolean) - Static method in class org.RDKit.RDKFuncs
 
getMorganFingerprintAsBitVect(ROMol, long, long, UInt_Vect, UInt_Vect, boolean, boolean) - Static method in class org.RDKit.RDKFuncs
 
getMorganFingerprintAsBitVect(ROMol, long, long, UInt_Vect, UInt_Vect, boolean) - Static method in class org.RDKit.RDKFuncs
 
getMorganFingerprintAsBitVect(ROMol, long, long, UInt_Vect, UInt_Vect) - Static method in class org.RDKit.RDKFuncs
 
getMorganFingerprintAsBitVect(ROMol, long, long, UInt_Vect) - Static method in class org.RDKit.RDKFuncs
 
getMorganFingerprintAsBitVect(ROMol, long, long) - Static method in class org.RDKit.RDKFuncs
 
getMorganFingerprintAsBitVect__SWIG_0(long, ROMol, long, long, long, UInt_Vect, long, UInt_Vect, boolean, boolean, boolean, long, BitInfoMap) - Static method in class org.RDKit.RDKFuncsJNI
 
getMorganFingerprintAsBitVect__SWIG_1(long, ROMol, long, long, long, UInt_Vect, long, UInt_Vect, boolean, boolean, boolean) - Static method in class org.RDKit.RDKFuncsJNI
 
getMorganFingerprintAsBitVect__SWIG_2(long, ROMol, long, long, long, UInt_Vect, long, UInt_Vect, boolean, boolean) - Static method in class org.RDKit.RDKFuncsJNI
 
getMorganFingerprintAsBitVect__SWIG_3(long, ROMol, long, long, long, UInt_Vect, long, UInt_Vect, boolean) - Static method in class org.RDKit.RDKFuncsJNI
 
getMorganFingerprintAsBitVect__SWIG_4(long, ROMol, long, long, long, UInt_Vect, long, UInt_Vect) - Static method in class org.RDKit.RDKFuncsJNI
 
getMorganFingerprintAsBitVect__SWIG_5(long, ROMol, long, long, long, UInt_Vect) - Static method in class org.RDKit.RDKFuncsJNI
 
getMorganFingerprintAsBitVect__SWIG_6(long, ROMol, long, long) - Static method in class org.RDKit.RDKFuncsJNI
 
getMorganFingerprintVersion() - Static method in class org.RDKit.RDKFuncs
 
getMostCommonIsotope(long) - Method in class org.RDKit.PeriodicTable
 
getMostCommonIsotope(String) - Method in class org.RDKit.PeriodicTable
 
getMostCommonIsotopeMass(long) - Method in class org.RDKit.PeriodicTable
 
getMostCommonIsotopeMass(String) - Method in class org.RDKit.PeriodicTable
 
getMQNVersion() - Static method in class org.RDKit.RDKFuncs
 
getMRV_SMA() - Static method in class org.RDKit.RDKFuncs
 
getMultipleBondOffset() - Method in class org.RDKit.MolDrawOptions
 
getName() - Method in class org.RDKit.AtomMonomerInfo
 
getName() - Method in class org.RDKit.FilterMatcherBase
 
getNoImplicit() - Method in class org.RDKit.Atom
 
getNonAgentWeight() - Method in class org.RDKit.ReactionFingerprintParams
 
getNonPODStatus() - Method in class org.RDKit.Dict
 
getNonzero() - Method in class org.RDKit.SparseIntVect32
 
getNonzero() - Method in class org.RDKit.SparseIntVect64
 
getNonzero() - Method in class org.RDKit.SparseIntVectu32
 
getNonzeroElements() - Method in class org.RDKit.SparseIntVect32
 
getNonzeroElements() - Method in class org.RDKit.SparseIntVect64
 
getNonzeroElements() - Method in class org.RDKit.SparseIntVectu32
 
getNormalizations() - Method in class org.RDKit.CleanupParameters
 
getNouterElecs(long) - Method in class org.RDKit.PeriodicTable
 
getNouterElecs(String) - Method in class org.RDKit.PeriodicTable
This is an overloaded member function, provided for convenience.
getNullBond() - Static method in class org.RDKit.RDKFuncs
 
getNumAgentTemplates() - Method in class org.RDKit.ChemicalReaction
 
getNumAliphaticCarbocyclesVersion() - Static method in class org.RDKit.RDKFuncs
 
getNumAliphaticHeterocyclesVersion() - Static method in class org.RDKit.RDKFuncs
 
getNumAliphaticRingsVersion() - Static method in class org.RDKit.RDKFuncs
 
getNumAmideBondsVersion() - Static method in class org.RDKit.RDKFuncs
 
getNumArom() - Static method in class org.RDKit.RDKFuncs
 
getNumAromaticCarbocyclesVersion() - Static method in class org.RDKit.RDKFuncs
 
getNumAromaticHeterocyclesVersion() - Static method in class org.RDKit.RDKFuncs
 
getNumAromaticRingsVersion() - Static method in class org.RDKit.RDKFuncs
 
getNumAtomPairFingerprintBits() - Static method in class org.RDKit.RDKFuncs
 
getNumAtoms() - Method in class org.RDKit.Conformer
 
getNumAtoms() - Method in class org.RDKit.MCSProgressData
 
getNumAtoms() - Method in class org.RDKit.MCSResult
 
getNumAtoms(boolean) - Method in class org.RDKit.ROMol
 
getNumAtoms() - Method in class org.RDKit.ROMol
 
getNumAtomStereoCentersVersion() - Static method in class org.RDKit.RDKFuncs
 
getNumAtomsWithDistinctProperty(ROMol, String) - Static method in class org.RDKit.RDKFuncs
 
getNumAtomsWithDistinctProperty(long, ROMol, String) - Static method in class org.RDKit.RDKFuncsJNI
 
getNumber() - Method in class org.RDKit.MolStackElem
 
getNumBits() - Method in class org.RDKit.BitVect
 
getNumBits() - Method in class org.RDKit.ExplicitBitVect
 
getNumBonds() - Method in class org.RDKit.MCSProgressData
 
getNumBonds() - Method in class org.RDKit.MCSResult
 
getNumBonds(boolean) - Method in class org.RDKit.ROMol
 
getNumBonds() - Method in class org.RDKit.ROMol
 
getNumBranchBits() - Static method in class org.RDKit.RDKFuncs
 
getNumBridgeheadAtomsVersion() - Static method in class org.RDKit.RDKFuncs
 
getNumChiralBits() - Static method in class org.RDKit.RDKFuncs
 
getNumConformers() - Method in class org.RDKit.ROMol
 
getNumConjGrps() - Method in class org.RDKit.ResonanceMolSupplier
 
getNumDigits() - Method in class org.RDKit.TDTWriter
 
getNumEntries() - Method in class org.RDKit.FilterCatalog
 
getNumExplicitHs() - Method in class org.RDKit.Atom
 
getNumHBAVersion() - Static method in class org.RDKit.RDKFuncs
 
getNumHBDVersion() - Static method in class org.RDKit.RDKFuncs
 
getNumHeavyAtoms() - Method in class org.RDKit.ROMol
 
getNumHeteroatomsVersion() - Static method in class org.RDKit.RDKFuncs
 
getNumHeterocyclesVersion() - Static method in class org.RDKit.RDKFuncs
 
getNumImplicitHs() - Method in class org.RDKit.Atom
getNumOffBits() - Method in class org.RDKit.BitVect
 
getNumOffBits() - Method in class org.RDKit.ExplicitBitVect
 
getNumOnBits() - Method in class org.RDKit.BitVect
 
getNumOnBits() - Method in class org.RDKit.ExplicitBitVect
 
getNumPathBits() - Static method in class org.RDKit.RDKFuncs
 
getNumPiBits() - Static method in class org.RDKit.RDKFuncs
 
getNumProductTemplates() - Method in class org.RDKit.ChemicalReaction
 
getNumRadicalElectrons() - Method in class org.RDKit.Atom
getNumReactantTemplates() - Method in class org.RDKit.ChemicalReaction
 
getNumRingsVersion() - Static method in class org.RDKit.RDKFuncs
 
getNumRotatableBondsVersion() - Static method in class org.RDKit.RDKFuncs
 
getNumSaturatedCarbocyclesVersion() - Static method in class org.RDKit.RDKFuncs
 
getNumSaturatedHeterocyclesVersion() - Static method in class org.RDKit.RDKFuncs
 
getNumSaturatedRingsVersion() - Static method in class org.RDKit.RDKFuncs
 
getNumSpiroAtomsVersion() - Static method in class org.RDKit.RDKFuncs
 
getNumThreads() - Method in class org.RDKit.EmbedParameters
 
getNumThreads() - Method in class org.RDKit.SubstructMatchParameters
 
getNumTypeBits() - Static method in class org.RDKit.RDKFuncs
 
getNumUnspecifiedAtomStereoCentersVersion() - Static method in class org.RDKit.RDKFuncs
 
getNumZeroFail() - Method in class org.RDKit.EmbedParameters
 
getObj() - Method in class org.RDKit.MolStackElem
 
getOccupancy() - Method in class org.RDKit.AtomPDBResidueInfo
 
getOnBits(Int_Vect) - Method in class org.RDKit.BitVect
 
getOnBits() - Method in class org.RDKit.ExplicitBitVect
 
getOnlyHeavyAtomsForRMS() - Method in class org.RDKit.EmbedParameters
 
getOnlyMatchAtRGroups() - Method in class org.RDKit.RGroupDecompositionParameters
 
getOptimizerForceTol() - Method in class org.RDKit.EmbedParameters
 
getOrigNoImplicit() - Static method in class org.RDKit.RDKFuncs
 
getOtherAtom(Atom) - Method in class org.RDKit.Bond
getOtherAtomIdx(long) - Method in class org.RDKit.Bond
given the index of one Atom, returns the index of the other
getOwningMol() - Method in class org.RDKit.Atom
 
getOwningMol() - Method in class org.RDKit.Bond
 
getOwningMol() - Method in class org.RDKit.Conformer
 
getPadding() - Method in class org.RDKit.MolDrawOptions
 
getParams(String) - Static method in class org.RDKit.ParamCollection
 
getParams() - Static method in class org.RDKit.ParamCollection
 
getParseName() - Method in class org.RDKit.SmilesParserParams
 
getPeriodicTableAtomData() - Static method in class org.RDKit.RDKFuncs
 
getPerpendicular() - Method in class org.RDKit.Point3D
Get a unit perpendicular from this point (treating it as a vector):
getPerturbationOrder(Int_List) - Method in class org.RDKit.Atom
returns the perturbation order for a list of integers
getPoint2D(long) - Method in class org.RDKit.Snapshot
 
getPoint3D(long) - Method in class org.RDKit.Snapshot
 
getPositions() - Method in class org.RDKit.Conformer
 
getPreferCoordGen() - Static method in class org.RDKit.RDKFuncs
 
getPreferCoordGen() - Static method in class org.RDKit.RDKFuncsJNI
 
getPreferOrganic() - Method in class org.RDKit.CleanupParameters
 
getPrepareMolsBeforeDrawing() - Method in class org.RDKit.MolDrawOptions
 
getProcessPropertyLists() - Method in class org.RDKit.ForwardSDMolSupplier
 
getProducts() - Method in class org.RDKit.ChemicalReaction
 
getProp(String) - Method in class org.RDKit.Atom
 
getProp(String) - Method in class org.RDKit.Bond
 
getProp(String) - Method in class org.RDKit.FilterCatalogEntry
 
getProp(String) - Method in class org.RDKit.ROMol
 
getPropList() - Method in class org.RDKit.FilterCatalogEntry
 
getPropList(boolean, boolean) - Method in class org.RDKit.RDProps
 
getPropList(boolean) - Method in class org.RDKit.RDProps
 
getPropList() - Method in class org.RDKit.RDProps
 
getProps() - Method in class org.RDKit.FilterCatalogEntry
 
getPruneRmsThresh() - Method in class org.RDKit.EmbedParameters
 
getQuery() - Method in class org.RDKit.Atom
 
getQuery() - Method in class org.RDKit.Bond
 
getQuery() - Method in class org.RDKit.FragmenterBondType
 
getQuery() - Method in class org.RDKit.QueryAtom
 
getQuery() - Method in class org.RDKit.QueryBond
 
getQueryMol() - Method in class org.RDKit.RecursiveStructureQuery
 
getR() - Method in class org.RDKit.DrawColour
 
getR0() - Method in class org.RDKit.UFFBond
 
getR1() - Method in class org.RDKit.AtomicParams
 
getRAD2DEG() - Static method in class org.RDKit.RDKFuncs
 
getRandNegEig() - Method in class org.RDKit.EmbedParameters
 
getRandomSeed() - Method in class org.RDKit.EmbedParameters
 
getRb0(long) - Method in class org.RDKit.PeriodicTable
 
getRb0(String) - Method in class org.RDKit.PeriodicTable
This is an overloaded member function, provided for convenience.
getRcovalent(long) - Method in class org.RDKit.PeriodicTable
 
getRcovalent(String) - Method in class org.RDKit.PeriodicTable
This is an overloaded member function, provided for convenience.
getRdbase() - Method in class org.RDKit.CleanupParameters
 
getRDKFingerprintMolVersion() - Static method in class org.RDKit.RDKFuncs
 
getRdkitBuild() - Static method in class org.RDKit.RDKFuncs
 
getRdkitVersion() - Static method in class org.RDKit.RDKFuncs
 
getReactantAtomIdx() - Static method in class org.RDKit.RDKFuncs
 
getReactants() - Method in class org.RDKit.ChemicalReaction
 
getReactingAtoms(ChemicalReaction, boolean) - Static method in class org.RDKit.RDKFuncs
 
getReactingAtoms(ChemicalReaction) - Static method in class org.RDKit.RDKFuncs
 
getReactingAtoms__SWIG_0(long, ChemicalReaction, boolean) - Static method in class org.RDKit.RDKFuncsJNI
 
getReactingAtoms__SWIG_1(long, ChemicalReaction) - Static method in class org.RDKit.RDKFuncsJNI
 
getReactionMapNum() - Static method in class org.RDKit.RDKFuncs
 
getRecursionPossible() - Method in class org.RDKit.SubstructMatchParameters
 
getRemoveAllHydrogenRGroups() - Method in class org.RDKit.RGroupDecompositionParameters
 
getRemoveHs() - Method in class org.RDKit.SmilesParserParams
 
getRemoveHydrogensPostMatch() - Method in class org.RDKit.RGroupDecompositionParameters
 
getReplacements() - Method in class org.RDKit.SmilesParserParams
 
getResidueName() - Method in class org.RDKit.AtomPDBResidueInfo
 
getResidueNumber() - Method in class org.RDKit.AtomPDBResidueInfo
 
getReturnCode() - Method in class org.RDKit.ExtraInchiReturnValues
 
getRgroupLabelling() - Method in class org.RDKit.RGroupDecompositionParameters
 
getRGroupLabels() - Method in class org.RDKit.RGroupDecomposition
 
getRGroupsAsColumns() - Method in class org.RDKit.RGroupDecomposition
 
getRGroupsAsRows() - Method in class org.RDKit.RGroupDecomposition
 
getRingInfo() - Method in class org.RDKit.ROMol
getRingMatchesRingOnly() - Method in class org.RDKit.MCSAtomCompareParameters
 
getRingMatchesRingOnly() - Method in class org.RDKit.MCSBondCompareParameters
 
getRingMembership() - Static method in class org.RDKit.RDKFuncs
 
getRow(long, SWIGTYPE_p_RDNumeric__VectorT_double_t) - Method in class org.RDKit.DoubleMatrix
 
getRow(long, SWIGTYPE_p_RDNumeric__VectorT_double_t) - Method in class org.RDKit.DoubleSymmMatrix
 
getRow(long, SWIGTYPE_p_RDNumeric__VectorT_int_t) - Method in class org.RDKit.IntMatrix
 
getRow(long, SWIGTYPE_p_RDNumeric__VectorT_int_t) - Method in class org.RDKit.IntSymmMatrix
 
getRvdw(long) - Method in class org.RDKit.PeriodicTable
 
getRvdw(String) - Method in class org.RDKit.PeriodicTable
This is an overloaded member function, provided for convenience.
getSanitize() - Method in class org.RDKit.SmilesParserParams
 
getSecond() - Method in class org.RDKit.Double_Pair
 
getSecond() - Method in class org.RDKit.Flagged_Atomic_Params_Vect
 
getSecond() - Method in class org.RDKit.Float_Pair
 
getSecond() - Method in class org.RDKit.Int_Pair
 
getSecond() - Method in class org.RDKit.Long_Pair
 
getSecond() - Method in class org.RDKit.StringInt_Pair
 
getSecond() - Method in class org.RDKit.UInt_Pair
 
getSecond() - Method in class org.RDKit.UIntPair
 
getSecondaryStructure() - Method in class org.RDKit.AtomPDBResidueInfo
 
getSeedProcessed() - Method in class org.RDKit.MCSProgressData
 
getSegmentNumber() - Method in class org.RDKit.AtomPDBResidueInfo
 
getSerialNumber() - Method in class org.RDKit.AtomPDBResidueInfo
 
getSerialNumber() - Method in class org.RDKit.RecursiveStructureQuery
 
getSetScale() - Method in class org.RDKit.ContourParams
 
getShortestPath(ROMol, int, int) - Static method in class org.RDKit.RDKFuncs
Find the shortest path between two atoms.
getShortestPath(long, ROMol, int, int) - Static method in class org.RDKit.RDKFuncsJNI
 
getShortestPath(int, int) - Method in class org.RDKit.ROMol
 
getSMALL_DOUBLE() - Static method in class org.RDKit.RDKFuncs
 
getSmartsString() - Method in class org.RDKit.MCSResult
 
getSmilesSymbol() - Static method in class org.RDKit.RDKFuncs
 
getSnapshot(long) - Method in class org.RDKit.Trajectory
 
getStereo() - Method in class org.RDKit.Bond
 
getStereoAtoms() - Method in class org.RDKit.Bond
 
getStereoGroups() - Method in class org.RDKit.ROMol
 
GetStream() - Method in class org.RDKit.gzstream
 
getStringSize(String, SWIGTYPE_p_double, SWIGTYPE_p_double) - Method in class org.RDKit.MolDraw2D
 
getStringSize(String, SWIGTYPE_p_double, SWIGTYPE_p_double) - Method in class org.RDKit.MolDraw2DSVG
 
getSubstructLayers() - Static method in class org.RDKit.RDKFuncs
 
getSubstructMatch(ROMol, SubstructMatchParameters) - Method in class org.RDKit.ROMol
 
getSubstructMatch(ROMol, boolean) - Method in class org.RDKit.ROMol
 
getSubstructMatch(ROMol) - Method in class org.RDKit.ROMol
 
getSubstructMatches(ROMol, boolean, boolean, int) - Method in class org.RDKit.ResonanceMolSupplier
 
getSubstructMatches(ROMol, boolean, boolean) - Method in class org.RDKit.ResonanceMolSupplier
 
getSubstructMatches(ROMol, boolean) - Method in class org.RDKit.ResonanceMolSupplier
 
getSubstructMatches(ROMol) - Method in class org.RDKit.ResonanceMolSupplier
 
getSubstructMatches(ROMol, SubstructMatchParameters) - Method in class org.RDKit.ROMol
 
getSubstructMatches(ROMol, boolean, boolean) - Method in class org.RDKit.ROMol
 
getSubstructMatches(ROMol, boolean) - Method in class org.RDKit.ROMol
 
getSubstructMatches(ROMol) - Method in class org.RDKit.ROMol
 
getSupplementalSmilesLabel(Atom) - Static method in class org.RDKit.RDKFuncs
 
getSupplementalSmilesLabel(long, Atom) - Static method in class org.RDKit.RDKFuncsJNI
 
getSymbol() - Method in class org.RDKit.Atom
 
getSymbolColour() - Method in class org.RDKit.MolDrawOptions
 
getTable() - Static method in class org.RDKit.PeriodicTable
 
getTautomerTransforms() - Method in class org.RDKit.CleanupParameters
 
getTempFactor() - Method in class org.RDKit.AtomPDBResidueInfo
 
getText(ROMol, int, boolean, boolean, int, Str_Vect) - Static method in class org.RDKit.SDWriter
 
getText(ROMol, int, boolean, boolean, int) - Static method in class org.RDKit.SDWriter
 
getText(ROMol, int, boolean, boolean) - Static method in class org.RDKit.SDWriter
 
getText(ROMol, int, boolean) - Static method in class org.RDKit.SDWriter
 
getText(ROMol, int) - Static method in class org.RDKit.SDWriter
 
getText(ROMol) - Static method in class org.RDKit.SDWriter
 
getTheta0() - Method in class org.RDKit.AtomicParams
 
getTheta0() - Method in class org.RDKit.UFFAngle
 
getTopologicalTorsionCode(UInt_Vect, boolean) - Static method in class org.RDKit.RDKFuncs
 
getTopologicalTorsionCode(UInt_Vect) - Static method in class org.RDKit.RDKFuncs
 
getTopologicalTorsionCode__SWIG_0(long, UInt_Vect, boolean) - Static method in class org.RDKit.RDKFuncsJNI
 
getTopologicalTorsionCode__SWIG_1(long, UInt_Vect) - Static method in class org.RDKit.RDKFuncsJNI
 
getTopologicalTorsionFingerprint(ROMol, long, UInt_Vect, UInt_Vect, UInt_Vect, boolean) - Static method in class org.RDKit.RDKFuncs
 
getTopologicalTorsionFingerprint(ROMol, long, UInt_Vect, UInt_Vect, UInt_Vect) - Static method in class org.RDKit.RDKFuncs
 
getTopologicalTorsionFingerprint(ROMol, long, UInt_Vect, UInt_Vect) - Static method in class org.RDKit.RDKFuncs
 
getTopologicalTorsionFingerprint(ROMol, long, UInt_Vect) - Static method in class org.RDKit.RDKFuncs
 
getTopologicalTorsionFingerprint(ROMol, long) - Static method in class org.RDKit.RDKFuncs
 
getTopologicalTorsionFingerprint(ROMol) - Static method in class org.RDKit.RDKFuncs
 
getTopologicalTorsionFingerprint__SWIG_0(long, ROMol, long, long, UInt_Vect, long, UInt_Vect, long, UInt_Vect, boolean) - Static method in class org.RDKit.RDKFuncsJNI
 
getTopologicalTorsionFingerprint__SWIG_1(long, ROMol, long, long, UInt_Vect, long, UInt_Vect, long, UInt_Vect) - Static method in class org.RDKit.RDKFuncsJNI
 
getTopologicalTorsionFingerprint__SWIG_2(long, ROMol, long, long, UInt_Vect, long, UInt_Vect) - Static method in class org.RDKit.RDKFuncsJNI
 
getTopologicalTorsionFingerprint__SWIG_3(long, ROMol, long, long, UInt_Vect) - Static method in class org.RDKit.RDKFuncsJNI
 
getTopologicalTorsionFingerprint__SWIG_4(long, ROMol, long) - Static method in class org.RDKit.RDKFuncsJNI
 
getTopologicalTorsionFingerprint__SWIG_5(long, ROMol) - Static method in class org.RDKit.RDKFuncsJNI
 
getTopologicalTorsionHash(UInt_Vect) - Static method in class org.RDKit.RDKFuncs
 
getTopologicalTorsionHash(long, UInt_Vect) - Static method in class org.RDKit.RDKFuncsJNI
 
getTotalDegree() - Method in class org.RDKit.Atom
getTotalNumHs(boolean) - Method in class org.RDKit.Atom
getTotalNumHs() - Method in class org.RDKit.Atom
getTotalVal(boolean) - Method in class org.RDKit.SparseIntVect32
 
getTotalVal() - Method in class org.RDKit.SparseIntVect32
 
getTotalVal(boolean) - Method in class org.RDKit.SparseIntVect64
 
getTotalVal() - Method in class org.RDKit.SparseIntVect64
 
getTotalVal(boolean) - Method in class org.RDKit.SparseIntVectu32
 
getTotalVal() - Method in class org.RDKit.SparseIntVectu32
 
getTotalValence() - Method in class org.RDKit.Atom
 
getTPSAAtomContribs(ROMol, Double_Vect, boolean, boolean) - Static method in class org.RDKit.RDKFuncs
 
getTPSAAtomContribs(ROMol, Double_Vect, boolean) - Static method in class org.RDKit.RDKFuncs
 
getTPSAAtomContribs(ROMol, Double_Vect) - Static method in class org.RDKit.RDKFuncs
 
getTPSAAtomContribs__SWIG_0(long, ROMol, long, Double_Vect, boolean, boolean) - Static method in class org.RDKit.RDKFuncsJNI
 
getTPSAAtomContribs__SWIG_1(long, ROMol, long, Double_Vect, boolean) - Static method in class org.RDKit.RDKFuncsJNI
 
getTPSAAtomContribs__SWIG_2(long, ROMol, long, Double_Vect) - Static method in class org.RDKit.RDKFuncsJNI
 
getTpsaVersion() - Static method in class org.RDKit.RDKFuncs
 
getTWOD() - Static method in class org.RDKit.RDKFuncs
 
getType() - Method in exception org.RDKit.AtomKekulizeException
 
getType() - Method in exception org.RDKit.AtomSanitizeException
 
getType() - Method in exception org.RDKit.AtomValenceException
 
getType() - Method in exception org.RDKit.KekulizeException
 
getType() - Method in exception org.RDKit.MolSanitizeException
 
getType() - Method in class org.RDKit.MolStackElem
 
getTypeStr() - Method in class org.RDKit.CatalogParams
 
getU1() - Method in class org.RDKit.AtomicParams
 
getUnfoldedRDKFingerprintMol(ROMol, long, long, boolean, boolean, boolean, UInt_Vect, UInt_Vect, SWIGTYPE_p_std__vectorT_std__vectorT_unsigned_long_long_t_t, SWIGTYPE_p_std__mapT_unsigned_long_long_std__vectorT_std__vectorT_int_t_t_t) - Static method in class org.RDKit.RDKFuncs
 
getUnfoldedRDKFingerprintMol(ROMol, long, long, boolean, boolean, boolean, UInt_Vect, UInt_Vect, SWIGTYPE_p_std__vectorT_std__vectorT_unsigned_long_long_t_t) - Static method in class org.RDKit.RDKFuncs
 
getUnfoldedRDKFingerprintMol(ROMol, long, long, boolean, boolean, boolean, UInt_Vect, UInt_Vect) - Static method in class org.RDKit.RDKFuncs
 
getUnfoldedRDKFingerprintMol(ROMol, long, long, boolean, boolean, boolean, UInt_Vect) - Static method in class org.RDKit.RDKFuncs
 
getUnfoldedRDKFingerprintMol(ROMol, long, long, boolean, boolean, boolean) - Static method in class org.RDKit.RDKFuncs
 
getUnfoldedRDKFingerprintMol(ROMol, long, long, boolean, boolean) - Static method in class org.RDKit.RDKFuncs
 
getUnfoldedRDKFingerprintMol(ROMol, long, long, boolean) - Static method in class org.RDKit.RDKFuncs
 
getUnfoldedRDKFingerprintMol(ROMol, long, long) - Static method in class org.RDKit.RDKFuncs
 
getUnfoldedRDKFingerprintMol(ROMol, long) - Static method in class org.RDKit.RDKFuncs
 
getUnfoldedRDKFingerprintMol(ROMol) - Static method in class org.RDKit.RDKFuncs
 
getUnfoldedRDKFingerprintMol__SWIG_0(long, ROMol, long, long, boolean, boolean, boolean, long, UInt_Vect, long, UInt_Vect, long, long) - Static method in class org.RDKit.RDKFuncsJNI
 
getUnfoldedRDKFingerprintMol__SWIG_1(long, ROMol, long, long, boolean, boolean, boolean, long, UInt_Vect, long, UInt_Vect, long) - Static method in class org.RDKit.RDKFuncsJNI
 
getUnfoldedRDKFingerprintMol__SWIG_2(long, ROMol, long, long, boolean, boolean, boolean, long, UInt_Vect, long, UInt_Vect) - Static method in class org.RDKit.RDKFuncsJNI
 
getUnfoldedRDKFingerprintMol__SWIG_3(long, ROMol, long, long, boolean, boolean, boolean, long, UInt_Vect) - Static method in class org.RDKit.RDKFuncsJNI
 
getUnfoldedRDKFingerprintMol__SWIG_4(long, ROMol, long, long, boolean, boolean, boolean) - Static method in class org.RDKit.RDKFuncsJNI
 
getUnfoldedRDKFingerprintMol__SWIG_5(long, ROMol, long, long, boolean, boolean) - Static method in class org.RDKit.RDKFuncsJNI
 
getUnfoldedRDKFingerprintMol__SWIG_6(long, ROMol, long, long, boolean) - Static method in class org.RDKit.RDKFuncsJNI
 
getUnfoldedRDKFingerprintMol__SWIG_7(long, ROMol, long, long) - Static method in class org.RDKit.RDKFuncsJNI
 
getUnfoldedRDKFingerprintMol__SWIG_8(long, ROMol, long) - Static method in class org.RDKit.RDKFuncsJNI
 
getUnfoldedRDKFingerprintMol__SWIG_9(long, ROMol) - Static method in class org.RDKit.RDKFuncsJNI
 
getUniqueAtomWithBookmark(int) - Method in class org.RDKit.ROMol
 
getUniqueBondWithBookmark(int) - Method in class org.RDKit.ROMol
 
getUniquify() - Method in class org.RDKit.SubstructMatchParameters
 
getUpperBound(long, long) - Method in class org.RDKit.BoundsMatrix
 
getUpperVolumeBound() - Method in class org.RDKit.ChiralSet
 
getUseBasicKnowledge() - Method in class org.RDKit.EmbedParameters
 
getUseChirality() - Method in class org.RDKit.SubstructMatchParameters
 
getUseExpTorsionAnglePrefs() - Method in class org.RDKit.EmbedParameters
 
getUseQueryQueryMatches() - Method in class org.RDKit.SubstructMatchParameters
 
getUseRandomCoords() - Method in class org.RDKit.EmbedParameters
 
getV() - Method in class org.RDKit.UFFTor
 
getV1() - Method in class org.RDKit.AtomicParams
 
getVal(String, SWIGTYPE_p_std__string) - Method in class org.RDKit.Dict
 
getVal(long, long) - Method in class org.RDKit.DoubleMatrix
 
getVal(long, long) - Method in class org.RDKit.DoubleSymmMatrix
 
getVal(long, long) - Method in class org.RDKit.IntMatrix
 
getVal(long, long) - Method in class org.RDKit.IntSymmMatrix
 
getVal(int) - Method in class org.RDKit.SparseIntVect32
 
getVal(long) - Method in class org.RDKit.SparseIntVect64
 
getVal(long) - Method in class org.RDKit.SparseIntVectu32
 
getValenceList(long) - Method in class org.RDKit.PeriodicTable
getValenceList(String) - Method in class org.RDKit.PeriodicTable
This is an overloaded member function, provided for convenience.
getValIfPresent(String, SWIGTYPE_p_std__string) - Method in class org.RDKit.Dict
 
getVerbose() - Method in class org.RDKit.EmbedParameters
 
getVersionMajor() - Static method in class org.RDKit.RDKFuncs
 
getVersionMinor() - Static method in class org.RDKit.RDKFuncs
 
getVersionPatch() - Static method in class org.RDKit.RDKFuncs
 
getWrite2D() - Method in class org.RDKit.TDTWriter
 
getWriteNames() - Method in class org.RDKit.TDTWriter
 
getX() - Method in class org.RDKit.Point2D
 
getX() - Method in class org.RDKit.Point3D
 
getX1() - Method in class org.RDKit.AtomicParams
 
getX_ij() - Method in class org.RDKit.UFFVdW
 
getY() - Method in class org.RDKit.Point2D
 
getY() - Method in class org.RDKit.Point3D
 
getZ() - Method in class org.RDKit.Point3D
 
getZ1() - Method in class org.RDKit.AtomicParams
 
getZeta() - Method in class org.RDKit.AtomicParams
 
Greedy_get() - Static method in class org.RDKit.RDKFuncsJNI
 
GreedyChunks_get() - Static method in class org.RDKit.RDKFuncsJNI
 
gzstream - Class in org.RDKit
 
gzstream(long, boolean) - Constructor for class org.RDKit.gzstream
 
gzstream(String) - Constructor for class org.RDKit.gzstream
 
gzstream__GetStream(long, gzstream) - Static method in class org.RDKit.RDKFuncsJNI
 
gzstream_Dump(long, gzstream) - Static method in class org.RDKit.RDKFuncsJNI
 

H

hallKierAlphaVersion_get() - Static method in class org.RDKit.RDKFuncsJNI
 
has_key(long) - Method in class org.RDKit.BitInfoMap
 
has_key(int) - Method in class org.RDKit.ColourPalette
 
has_key(int) - Method in class org.RDKit.Int_Double_Map
 
has_key(int) - Method in class org.RDKit.Int_Int_Map
 
has_key(int) - Method in class org.RDKit.Int_Int_Vect_List_Map
 
has_key(int) - Method in class org.RDKit.Int_Int_Vect_Map
 
has_key(int) - Method in class org.RDKit.Int_Point2D_Map
 
has_key(int) - Method in class org.RDKit.Int_Point3D_Map
 
has_key(int) - Method in class org.RDKit.Int_String_Map
 
has_key(String) - Method in class org.RDKit.String_String_Map
 
has_key(String) - Method in class org.RDKit.StringMolMap
 
has_key(String) - Method in class org.RDKit.StringROMol_VectMap
 
has_key(long) - Method in class org.RDKit.UIntMolMap
 
hasAtomBookmark(int) - Method in class org.RDKit.ROMol
 
hasBondBookmark(int) - Method in class org.RDKit.ROMol
 
hasFilterMatch(ROMol) - Method in class org.RDKit.FilterCatalogEntry
 
HashFunction - Enum in org.RDKit
 
HashFunction_AnonymousGraph_get() - Static method in class org.RDKit.RDKFuncsJNI
 
HashFunction_ArthorSubstructureOrder_get() - Static method in class org.RDKit.RDKFuncsJNI
 
HashFunction_AtomBondCounts_get() - Static method in class org.RDKit.RDKFuncsJNI
 
HashFunction_CanonicalSmiles_get() - Static method in class org.RDKit.RDKFuncsJNI
 
HashFunction_DegreeVector_get() - Static method in class org.RDKit.RDKFuncsJNI
 
HashFunction_ElementGraph_get() - Static method in class org.RDKit.RDKFuncsJNI
 
HashFunction_ExtendedMurcko_get() - Static method in class org.RDKit.RDKFuncsJNI
 
HashFunction_HetAtomProtomer_get() - Static method in class org.RDKit.RDKFuncsJNI
 
HashFunction_HetAtomTautomer_get() - Static method in class org.RDKit.RDKFuncsJNI
 
HashFunction_Mesomer_get() - Static method in class org.RDKit.RDKFuncsJNI
 
HashFunction_MolFormula_get() - Static method in class org.RDKit.RDKFuncsJNI
 
HashFunction_MurckoScaffold_get() - Static method in class org.RDKit.RDKFuncsJNI
 
HashFunction_NetCharge_get() - Static method in class org.RDKit.RDKFuncsJNI
 
HashFunction_RedoxPair_get() - Static method in class org.RDKit.RDKFuncsJNI
 
HashFunction_Regioisomer_get() - Static method in class org.RDKit.RDKFuncsJNI
 
HashFunction_SmallWorldIndexBR_get() - Static method in class org.RDKit.RDKFuncsJNI
 
HashFunction_SmallWorldIndexBRL_get() - Static method in class org.RDKit.RDKFuncsJNI
 
hasMatch(ROMol) - Method in class org.RDKit.FilterCatalog
 
hasMatch(ROMol) - Method in class org.RDKit.FilterMatcherBase
 
hasMatch(ROMol, boolean, boolean, boolean, int) - Method in class org.RDKit.SubstructLibrary
 
hasMatch(ROMol, boolean, boolean, boolean) - Method in class org.RDKit.SubstructLibrary
 
hasMatch(ROMol, boolean, boolean) - Method in class org.RDKit.SubstructLibrary
 
hasMatch(ROMol, boolean) - Method in class org.RDKit.SubstructLibrary
 
hasMatch(ROMol) - Method in class org.RDKit.SubstructLibrary
 
hasMatch(ROMol, long, long, boolean, boolean, boolean, int) - Method in class org.RDKit.SubstructLibrary
 
hasMatch(ROMol, long, long, boolean, boolean, boolean) - Method in class org.RDKit.SubstructLibrary
 
hasMatch(ROMol, long, long, boolean, boolean) - Method in class org.RDKit.SubstructLibrary
 
hasMatch(ROMol, long, long, boolean) - Method in class org.RDKit.SubstructLibrary
 
hasMatch(ROMol, long, long) - Method in class org.RDKit.SubstructLibrary
 
hasNonZeroZCoords(Conformer) - Static method in class org.RDKit.RDKFuncs
 
hasNonZeroZCoords(long, Conformer) - Static method in class org.RDKit.RDKFuncsJNI
 
hasOwningMol() - Method in class org.RDKit.Atom
 
hasOwningMol() - Method in class org.RDKit.Bond
 
hasOwningMol() - Method in class org.RDKit.Conformer
 
hasProp(String) - Method in class org.RDKit.FilterCatalogEntry
 
hasProp(String) - Method in class org.RDKit.RDProps
 
hasQuery() - Method in class org.RDKit.Atom
 
hasQuery() - Method in class org.RDKit.Bond
 
hasQuery() - Method in class org.RDKit.QueryAtom
 
hasQuery() - Method in class org.RDKit.QueryBond
 
hasSubstructMatch(ROMol, boolean) - Method in class org.RDKit.ROMol
 
hasSubstructMatch(ROMol) - Method in class org.RDKit.ROMol
 
hasSubstructMatch(ROMol, SubstructMatchParameters) - Method in class org.RDKit.ROMol
 
hasVal(String) - Method in class org.RDKit.Dict
 
height() - Method in class org.RDKit.MolDraw2D
 
HeteroatomIterator - Class in org.RDKit
 
HeteroatomIterator(long, boolean) - Constructor for class org.RDKit.HeteroatomIterator
 
HeteroatomIterator() - Constructor for class org.RDKit.HeteroatomIterator
 
HeteroatomIterator(ROMol) - Constructor for class org.RDKit.HeteroatomIterator
 
HeteroatomIterator(ROMol, int) - Constructor for class org.RDKit.HeteroatomIterator
 
HeteroatomIterator(HeteroatomIterator) - Constructor for class org.RDKit.HeteroatomIterator
 
HeteroatomIterator_eq(long, HeteroatomIterator, long, HeteroatomIterator) - Static method in class org.RDKit.RDKFuncsJNI
 
HeteroatomIterator_getAtom(long, HeteroatomIterator) - Static method in class org.RDKit.RDKFuncsJNI
 
HeteroatomIterator_ne(long, HeteroatomIterator, long, HeteroatomIterator) - Static method in class org.RDKit.RDKFuncsJNI
 
HeteroatomIterator_next__SWIG_0(long, HeteroatomIterator) - Static method in class org.RDKit.RDKFuncsJNI
 
HeteroatomIterator_next__SWIG_1(long, HeteroatomIterator, int) - Static method in class org.RDKit.RDKFuncsJNI
 
HeteroatomIterator_prev__SWIG_0(long, HeteroatomIterator) - Static method in class org.RDKit.RDKFuncsJNI
 
HeteroatomIterator_prev__SWIG_1(long, HeteroatomIterator, int) - Static method in class org.RDKit.RDKFuncsJNI
 
hkDeltas(ROMol, Double_Vect, boolean) - Static method in class org.RDKit.RDKFuncs
 
hkDeltas(long, ROMol, long, Double_Vect, boolean) - Static method in class org.RDKit.RDKFuncsJNI
 

I

identifyQueryBonds(ROMol, SWIGTYPE_p_std__vectorT_RDKit__Bond_const_p_t, SWIGTYPE_p_std__vectorT_short_t) - Static method in class org.RDKit.RDKFuncs
 
identifyQueryBonds(long, ROMol, long, long) - Static method in class org.RDKit.RDKFuncsJNI
 
InchiToInchiKey(String) - Static method in class org.RDKit.RDKFuncs
 
InchiToInchiKey(String) - Static method in class org.RDKit.RDKFuncsJNI
 
InchiToMol(String, ExtraInchiReturnValues, boolean, boolean) - Static method in class org.RDKit.RDKFuncs
 
InchiToMol(String, ExtraInchiReturnValues, boolean) - Static method in class org.RDKit.RDKFuncs
 
InchiToMol(String, ExtraInchiReturnValues) - Static method in class org.RDKit.RDKFuncs
 
InchiToMol__SWIG_0(String, long, ExtraInchiReturnValues, boolean, boolean) - Static method in class org.RDKit.RDKFuncsJNI
 
InchiToMol__SWIG_1(String, long, ExtraInchiReturnValues, boolean) - Static method in class org.RDKit.RDKFuncsJNI
 
InchiToMol__SWIG_2(String, long, ExtraInchiReturnValues) - Static method in class org.RDKit.RDKFuncsJNI
 
index() - Method in class org.RDKit.IndexErrorException
 
IndexErrorException - Class in org.RDKit
 
IndexErrorException(long, boolean) - Constructor for class org.RDKit.IndexErrorException
 
IndexErrorException(int) - Constructor for class org.RDKit.IndexErrorException
 
IndexErrorException_index(long, IndexErrorException) - Static method in class org.RDKit.RDKFuncsJNI
 
init() - Method in class org.RDKit.ForwardSDMolSupplier
 
init() - Method in class org.RDKit.MolSupplier
 
init() - Method in class org.RDKit.PDBMolSupplier
 
init() - Method in class org.RDKit.SDMolSupplier
 
init() - Method in class org.RDKit.SmilesMolSupplier
 
init() - Method in class org.RDKit.TDTMolSupplier
 
initBoundsMat(BoundsMatrix, double, double) - Static method in class org.RDKit.RDKFuncs
 
initBoundsMat(BoundsMatrix, double) - Static method in class org.RDKit.RDKFuncs
 
initBoundsMat(BoundsMatrix) - Static method in class org.RDKit.RDKFuncs
 
initBoundsMat__SWIG_0(long, BoundsMatrix, double, double) - Static method in class org.RDKit.RDKFuncsJNI
 
initBoundsMat__SWIG_1(long, BoundsMatrix, double) - Static method in class org.RDKit.RDKFuncsJNI
 
initBoundsMat__SWIG_2(long, BoundsMatrix) - Static method in class org.RDKit.RDKFuncsJNI
 
initCheckMol(String) - Static method in class org.RDKit.RDKFuncs
 
initCheckMol(String) - Static method in class org.RDKit.RDKFuncsJNI
 
initFromStream(SWIGTYPE_p_std__istream) - Method in class org.RDKit.CatalogParams
 
initFromStream(SWIGTYPE_p_std__istream) - Method in class org.RDKit.FilterCatalogEntry
 
initFromStream(SWIGTYPE_p_std__istream) - Method in class org.RDKit.FilterCatalogParams
 
initFromStream(SWIGTYPE_p_std__istream) - Method in class org.RDKit.SubstructLibrary
 
initFromString(String) - Method in class org.RDKit.CatalogParams
 
initFromString(String) - Method in class org.RDKit.FilterCatalogEntry
 
initFromString(String) - Method in class org.RDKit.FilterCatalogParams
 
initFromString(String) - Method in class org.RDKit.SubstructLibrary
 
initFromText(String, long, boolean, boolean) - Method in class org.RDKit.BitVect
 
initFromText(String, long, boolean) - Method in class org.RDKit.BitVect
 
initFromText(String, long) - Method in class org.RDKit.BitVect
 
initialize() - Method in class org.RDKit.ForceField
 
initialize() - Method in class org.RDKit.RingInfo
 
initReactantMatchers() - Method in class org.RDKit.ChemicalReaction
initializes our internal reactant-matching datastructures.
inOrganicSubset(int) - Static method in class org.RDKit.RDKFuncs
 
inOrganicSubset(int) - Static method in class org.RDKit.RDKFuncsJNI
 
insertMol(ROMol) - Method in class org.RDKit.RWMol
 
insertSnapshot(long, Snapshot) - Method in class org.RDKit.Trajectory
 
Int_Double_Map - Class in org.RDKit
 
Int_Double_Map(long, boolean) - Constructor for class org.RDKit.Int_Double_Map
 
Int_Double_Map() - Constructor for class org.RDKit.Int_Double_Map
 
Int_Double_Map(Int_Double_Map) - Constructor for class org.RDKit.Int_Double_Map
 
Int_Double_Map_clear(long, Int_Double_Map) - Static method in class org.RDKit.RDKFuncsJNI
 
Int_Double_Map_del(long, Int_Double_Map, int) - Static method in class org.RDKit.RDKFuncsJNI
 
Int_Double_Map_empty(long, Int_Double_Map) - Static method in class org.RDKit.RDKFuncsJNI
 
Int_Double_Map_get(long, Int_Double_Map, int) - Static method in class org.RDKit.RDKFuncsJNI
 
Int_Double_Map_has_key(long, Int_Double_Map, int) - Static method in class org.RDKit.RDKFuncsJNI
 
Int_Double_Map_set(long, Int_Double_Map, int, double) - Static method in class org.RDKit.RDKFuncsJNI
 
Int_Double_Map_size(long, Int_Double_Map) - Static method in class org.RDKit.RDKFuncsJNI
 
Int_Int_Map - Class in org.RDKit
 
Int_Int_Map(long, boolean) - Constructor for class org.RDKit.Int_Int_Map
 
Int_Int_Map() - Constructor for class org.RDKit.Int_Int_Map
 
Int_Int_Map(Int_Int_Map) - Constructor for class org.RDKit.Int_Int_Map
 
Int_Int_Map_clear(long, Int_Int_Map) - Static method in class org.RDKit.RDKFuncsJNI
 
Int_Int_Map_del(long, Int_Int_Map, int) - Static method in class org.RDKit.RDKFuncsJNI
 
Int_Int_Map_empty(long, Int_Int_Map) - Static method in class org.RDKit.RDKFuncsJNI
 
Int_Int_Map_get(long, Int_Int_Map, int) - Static method in class org.RDKit.RDKFuncsJNI
 
Int_Int_Map_has_key(long, Int_Int_Map, int) - Static method in class org.RDKit.RDKFuncsJNI
 
Int_Int_Map_set(long, Int_Int_Map, int, int) - Static method in class org.RDKit.RDKFuncsJNI
 
Int_Int_Map_size(long, Int_Int_Map) - Static method in class org.RDKit.RDKFuncsJNI
 
Int_Int_Vect_List_Map - Class in org.RDKit
 
Int_Int_Vect_List_Map(long, boolean) - Constructor for class org.RDKit.Int_Int_Vect_List_Map
 
Int_Int_Vect_List_Map() - Constructor for class org.RDKit.Int_Int_Vect_List_Map
 
Int_Int_Vect_List_Map(Int_Int_Vect_List_Map) - Constructor for class org.RDKit.Int_Int_Vect_List_Map
 
Int_Int_Vect_List_Map_clear(long, Int_Int_Vect_List_Map) - Static method in class org.RDKit.RDKFuncsJNI
 
Int_Int_Vect_List_Map_del(long, Int_Int_Vect_List_Map, int) - Static method in class org.RDKit.RDKFuncsJNI
 
Int_Int_Vect_List_Map_empty(long, Int_Int_Vect_List_Map) - Static method in class org.RDKit.RDKFuncsJNI
 
Int_Int_Vect_List_Map_get(long, Int_Int_Vect_List_Map, int) - Static method in class org.RDKit.RDKFuncsJNI
 
Int_Int_Vect_List_Map_has_key(long, Int_Int_Vect_List_Map, int) - Static method in class org.RDKit.RDKFuncsJNI
 
Int_Int_Vect_List_Map_set(long, Int_Int_Vect_List_Map, int, long, Int_Vect_List) - Static method in class org.RDKit.RDKFuncsJNI
 
Int_Int_Vect_List_Map_size(long, Int_Int_Vect_List_Map) - Static method in class org.RDKit.RDKFuncsJNI
 
Int_Int_Vect_Map - Class in org.RDKit
 
Int_Int_Vect_Map(long, boolean) - Constructor for class org.RDKit.Int_Int_Vect_Map
 
Int_Int_Vect_Map() - Constructor for class org.RDKit.Int_Int_Vect_Map
 
Int_Int_Vect_Map(Int_Int_Vect_Map) - Constructor for class org.RDKit.Int_Int_Vect_Map
 
Int_Int_Vect_Map_clear(long, Int_Int_Vect_Map) - Static method in class org.RDKit.RDKFuncsJNI
 
Int_Int_Vect_Map_del(long, Int_Int_Vect_Map, int) - Static method in class org.RDKit.RDKFuncsJNI
 
Int_Int_Vect_Map_empty(long, Int_Int_Vect_Map) - Static method in class org.RDKit.RDKFuncsJNI
 
Int_Int_Vect_Map_get(long, Int_Int_Vect_Map, int) - Static method in class org.RDKit.RDKFuncsJNI
 
Int_Int_Vect_Map_has_key(long, Int_Int_Vect_Map, int) - Static method in class org.RDKit.RDKFuncsJNI
 
Int_Int_Vect_Map_set(long, Int_Int_Vect_Map, int, long, Int_Vect) - Static method in class org.RDKit.RDKFuncsJNI
 
Int_Int_Vect_Map_size(long, Int_Int_Vect_Map) - Static method in class org.RDKit.RDKFuncsJNI
 
Int_List - Class in org.RDKit
 
Int_List(long, boolean) - Constructor for class org.RDKit.Int_List
 
Int_List() - Constructor for class org.RDKit.Int_List
 
Int_List_add(long, Int_List, int) - Static method in class org.RDKit.RDKFuncsJNI
 
Int_List_clear(long, Int_List) - Static method in class org.RDKit.RDKFuncsJNI
 
Int_List_equals(long, Int_List, long, Int_List) - Static method in class org.RDKit.RDKFuncsJNI
 
Int_List_get(long, Int_List, int) - Static method in class org.RDKit.RDKFuncsJNI
 
Int_List_isEmpty(long, Int_List) - Static method in class org.RDKit.RDKFuncsJNI
 
Int_List_size(long, Int_List) - Static method in class org.RDKit.RDKFuncsJNI
 
Int_Pair - Class in org.RDKit
 
Int_Pair(long, boolean) - Constructor for class org.RDKit.Int_Pair
 
Int_Pair() - Constructor for class org.RDKit.Int_Pair
 
Int_Pair(int, int) - Constructor for class org.RDKit.Int_Pair
 
Int_Pair(Int_Pair) - Constructor for class org.RDKit.Int_Pair
 
Int_Pair_first_get(long, Int_Pair) - Static method in class org.RDKit.RDKFuncsJNI
 
Int_Pair_first_set(long, Int_Pair, int) - Static method in class org.RDKit.RDKFuncsJNI
 
Int_Pair_second_get(long, Int_Pair) - Static method in class org.RDKit.RDKFuncsJNI
 
Int_Pair_second_set(long, Int_Pair, int) - Static method in class org.RDKit.RDKFuncsJNI
 
Int_Point2D_Map - Class in org.RDKit
 
Int_Point2D_Map(long, boolean) - Constructor for class org.RDKit.Int_Point2D_Map
 
Int_Point2D_Map() - Constructor for class org.RDKit.Int_Point2D_Map
 
Int_Point2D_Map(Int_Point2D_Map) - Constructor for class org.RDKit.Int_Point2D_Map
 
Int_Point2D_Map_clear(long, Int_Point2D_Map) - Static method in class org.RDKit.RDKFuncsJNI
 
Int_Point2D_Map_del(long, Int_Point2D_Map, int) - Static method in class org.RDKit.RDKFuncsJNI
 
Int_Point2D_Map_empty(long, Int_Point2D_Map) - Static method in class org.RDKit.RDKFuncsJNI
 
Int_Point2D_Map_get(long, Int_Point2D_Map, int) - Static method in class org.RDKit.RDKFuncsJNI
 
Int_Point2D_Map_has_key(long, Int_Point2D_Map, int) - Static method in class org.RDKit.RDKFuncsJNI
 
Int_Point2D_Map_set(long, Int_Point2D_Map, int, long, Point2D) - Static method in class org.RDKit.RDKFuncsJNI
 
Int_Point2D_Map_size(long, Int_Point2D_Map) - Static method in class org.RDKit.RDKFuncsJNI
 
Int_Point3D_Map - Class in org.RDKit
 
Int_Point3D_Map(long, boolean) - Constructor for class org.RDKit.Int_Point3D_Map
 
Int_Point3D_Map() - Constructor for class org.RDKit.Int_Point3D_Map
 
Int_Point3D_Map(Int_Point3D_Map) - Constructor for class org.RDKit.Int_Point3D_Map
 
Int_Point3D_Map_clear(long, Int_Point3D_Map) - Static method in class org.RDKit.RDKFuncsJNI
 
Int_Point3D_Map_del(long, Int_Point3D_Map, int) - Static method in class org.RDKit.RDKFuncsJNI
 
Int_Point3D_Map_empty(long, Int_Point3D_Map) - Static method in class org.RDKit.RDKFuncsJNI
 
Int_Point3D_Map_get(long, Int_Point3D_Map, int) - Static method in class org.RDKit.RDKFuncsJNI
 
Int_Point3D_Map_has_key(long, Int_Point3D_Map, int) - Static method in class org.RDKit.RDKFuncsJNI
 
Int_Point3D_Map_set(long, Int_Point3D_Map, int, long, Point3D) - Static method in class org.RDKit.RDKFuncsJNI
 
Int_Point3D_Map_size(long, Int_Point3D_Map) - Static method in class org.RDKit.RDKFuncsJNI
 
Int_String_Map - Class in org.RDKit
 
Int_String_Map(long, boolean) - Constructor for class org.RDKit.Int_String_Map
 
Int_String_Map() - Constructor for class org.RDKit.Int_String_Map
 
Int_String_Map(Int_String_Map) - Constructor for class org.RDKit.Int_String_Map
 
Int_String_Map_clear(long, Int_String_Map) - Static method in class org.RDKit.RDKFuncsJNI
 
Int_String_Map_del(long, Int_String_Map, int) - Static method in class org.RDKit.RDKFuncsJNI
 
Int_String_Map_empty(long, Int_String_Map) - Static method in class org.RDKit.RDKFuncsJNI
 
Int_String_Map_get(long, Int_String_Map, int) - Static method in class org.RDKit.RDKFuncsJNI
 
Int_String_Map_has_key(long, Int_String_Map, int) - Static method in class org.RDKit.RDKFuncsJNI
 
Int_String_Map_set(long, Int_String_Map, int, String) - Static method in class org.RDKit.RDKFuncsJNI
 
Int_String_Map_size(long, Int_String_Map) - Static method in class org.RDKit.RDKFuncsJNI
 
Int_Vect - Class in org.RDKit
 
Int_Vect(long, boolean) - Constructor for class org.RDKit.Int_Vect
 
Int_Vect() - Constructor for class org.RDKit.Int_Vect
 
Int_Vect(long) - Constructor for class org.RDKit.Int_Vect
 
Int_Vect_add(long, Int_Vect, int) - Static method in class org.RDKit.RDKFuncsJNI
 
Int_Vect_capacity(long, Int_Vect) - Static method in class org.RDKit.RDKFuncsJNI
 
Int_Vect_clear(long, Int_Vect) - Static method in class org.RDKit.RDKFuncsJNI
 
Int_Vect_equals(long, Int_Vect, long, Int_Vect) - Static method in class org.RDKit.RDKFuncsJNI
 
Int_Vect_get(long, Int_Vect, int) - Static method in class org.RDKit.RDKFuncsJNI
 
Int_Vect_isEmpty(long, Int_Vect) - Static method in class org.RDKit.RDKFuncsJNI
 
Int_Vect_List - Class in org.RDKit
 
Int_Vect_List(long, boolean) - Constructor for class org.RDKit.Int_Vect_List
 
Int_Vect_List() - Constructor for class org.RDKit.Int_Vect_List
 
Int_Vect_List_add(long, Int_Vect_List, long, Int_Vect) - Static method in class org.RDKit.RDKFuncsJNI
 
Int_Vect_List_clear(long, Int_Vect_List) - Static method in class org.RDKit.RDKFuncsJNI
 
Int_Vect_List_equals(long, Int_Vect_List, long, Int_Vect_List) - Static method in class org.RDKit.RDKFuncsJNI
 
Int_Vect_List_get(long, Int_Vect_List, int) - Static method in class org.RDKit.RDKFuncsJNI
 
Int_Vect_List_isEmpty(long, Int_Vect_List) - Static method in class org.RDKit.RDKFuncsJNI
 
Int_Vect_List_size(long, Int_Vect_List) - Static method in class org.RDKit.RDKFuncsJNI
 
Int_Vect_reserve(long, Int_Vect, long) - Static method in class org.RDKit.RDKFuncsJNI
 
Int_Vect_set(long, Int_Vect, int, int) - Static method in class org.RDKit.RDKFuncsJNI
 
Int_Vect_size(long, Int_Vect) - Static method in class org.RDKit.RDKFuncsJNI
 
Int_Vect_Vect - Class in org.RDKit
 
Int_Vect_Vect(long, boolean) - Constructor for class org.RDKit.Int_Vect_Vect
 
Int_Vect_Vect() - Constructor for class org.RDKit.Int_Vect_Vect
 
Int_Vect_Vect(long) - Constructor for class org.RDKit.Int_Vect_Vect
 
Int_Vect_Vect_add(long, Int_Vect_Vect, long, Int_Vect) - Static method in class org.RDKit.RDKFuncsJNI
 
Int_Vect_Vect_capacity(long, Int_Vect_Vect) - Static method in class org.RDKit.RDKFuncsJNI
 
Int_Vect_Vect_clear(long, Int_Vect_Vect) - Static method in class org.RDKit.RDKFuncsJNI
 
Int_Vect_Vect_equals(long, Int_Vect_Vect, long, Int_Vect_Vect) - Static method in class org.RDKit.RDKFuncsJNI
 
Int_Vect_Vect_get(long, Int_Vect_Vect, int) - Static method in class org.RDKit.RDKFuncsJNI
 
Int_Vect_Vect_isEmpty(long, Int_Vect_Vect) - Static method in class org.RDKit.RDKFuncsJNI
 
Int_Vect_Vect_reserve(long, Int_Vect_Vect, long) - Static method in class org.RDKit.RDKFuncsJNI
 
Int_Vect_Vect_set(long, Int_Vect_Vect, int, long, Int_Vect) - Static method in class org.RDKit.RDKFuncsJNI
 
Int_Vect_Vect_size(long, Int_Vect_Vect) - Static method in class org.RDKit.RDKFuncsJNI
 
internalRgroupSmiles_get() - Static method in class org.RDKit.RDKFuncsJNI
 
Intersect(Int_Vect, Int_Vect, Int_Vect) - Static method in class org.RDKit.RDKFuncs
 
Intersect(long, Int_Vect, long, Int_Vect, long, Int_Vect) - Static method in class org.RDKit.RDKFuncsJNI
 
IntMatrix - Class in org.RDKit
 
IntMatrix(long, boolean) - Constructor for class org.RDKit.IntMatrix
 
IntMatrix(long, long) - Constructor for class org.RDKit.IntMatrix
 
IntMatrix(long, long, int) - Constructor for class org.RDKit.IntMatrix
 
IntMatrix(long, long, Shared_Int_Array) - Constructor for class org.RDKit.IntMatrix
 
IntMatrix(IntMatrix) - Constructor for class org.RDKit.IntMatrix
 
IntMatrix_assign(long, IntMatrix, long, IntMatrix) - Static method in class org.RDKit.RDKFuncsJNI
 
IntMatrix_getCol(long, IntMatrix, long, long) - Static method in class org.RDKit.RDKFuncsJNI
 
IntMatrix_getData__SWIG_0(long, IntMatrix) - Static method in class org.RDKit.RDKFuncsJNI
 
IntMatrix_getDataSize(long, IntMatrix) - Static method in class org.RDKit.RDKFuncsJNI
 
IntMatrix_getRow(long, IntMatrix, long, long) - Static method in class org.RDKit.RDKFuncsJNI
 
IntMatrix_getVal(long, IntMatrix, long, long) - Static method in class org.RDKit.RDKFuncsJNI
 
IntMatrix_numCols(long, IntMatrix) - Static method in class org.RDKit.RDKFuncsJNI
 
IntMatrix_numRows(long, IntMatrix) - Static method in class org.RDKit.RDKFuncsJNI
 
IntMatrix_setVal(long, IntMatrix, long, long, int) - Static method in class org.RDKit.RDKFuncsJNI
 
IntMatrix_transpose(long, IntMatrix, long, IntMatrix) - Static method in class org.RDKit.RDKFuncsJNI
 
IntSymmMatrix - Class in org.RDKit
 
IntSymmMatrix(long, boolean) - Constructor for class org.RDKit.IntSymmMatrix
 
IntSymmMatrix(long) - Constructor for class org.RDKit.IntSymmMatrix
 
IntSymmMatrix(long, int) - Constructor for class org.RDKit.IntSymmMatrix
 
IntSymmMatrix(long, Shared_Int_Array) - Constructor for class org.RDKit.IntSymmMatrix
 
IntSymmMatrix(IntSymmMatrix) - Constructor for class org.RDKit.IntSymmMatrix
 
IntSymmMatrix_getCol(long, IntSymmMatrix, long, long) - Static method in class org.RDKit.RDKFuncsJNI
 
IntSymmMatrix_getData__SWIG_0(long, IntSymmMatrix) - Static method in class org.RDKit.RDKFuncsJNI
 
IntSymmMatrix_getDataSize(long, IntSymmMatrix) - Static method in class org.RDKit.RDKFuncsJNI
 
IntSymmMatrix_getRow(long, IntSymmMatrix, long, long) - Static method in class org.RDKit.RDKFuncsJNI
 
IntSymmMatrix_getVal(long, IntSymmMatrix, long, long) - Static method in class org.RDKit.RDKFuncsJNI
 
IntSymmMatrix_numCols(long, IntSymmMatrix) - Static method in class org.RDKit.RDKFuncsJNI
 
IntSymmMatrix_numRows(long, IntSymmMatrix) - Static method in class org.RDKit.RDKFuncsJNI
 
IntSymmMatrix_setToIdentity(long, IntSymmMatrix) - Static method in class org.RDKit.RDKFuncsJNI
 
IntSymmMatrix_setVal(long, IntSymmMatrix, long, long, int) - Static method in class org.RDKit.RDKFuncsJNI
 
IntSymmMatrix_transpose(long, IntSymmMatrix, long, IntSymmMatrix) - Static method in class org.RDKit.RDKFuncsJNI
 
IntSymmMatrix_transposeInplace(long, IntSymmMatrix) - Static method in class org.RDKit.RDKFuncsJNI
 
InversionContrib - Class in org.RDKit
 
InversionContrib(long, boolean) - Constructor for class org.RDKit.InversionContrib
 
InversionContrib() - Constructor for class org.RDKit.InversionContrib
 
InversionContrib(ForceField, long, long, long, long, int, boolean, double) - Constructor for class org.RDKit.InversionContrib
 
InversionContrib(ForceField, long, long, long, long, int, boolean) - Constructor for class org.RDKit.InversionContrib
 
InversionContrib_copy(long, InversionContrib) - Static method in class org.RDKit.RDKFuncsJNI
 
InversionContrib_getEnergy(long, InversionContrib, long) - Static method in class org.RDKit.RDKFuncsJNI
 
InversionContrib_getGrad(long, InversionContrib, long, long) - Static method in class org.RDKit.RDKFuncsJNI
 
InversionContrib_SWIGSmartPtrUpcast(long) - Static method in class org.RDKit.RDKFuncsJNI
 
invertChirality() - Method in class org.RDKit.Atom
 
is3D() - Method in class org.RDKit.Conformer
 
isAtomAromatic(Atom) - Static method in class org.RDKit.RDKFuncs
 
isAtomAromatic(long, Atom) - Static method in class org.RDKit.RDKFuncsJNI
 
isAtomInRingOfSize(long, long) - Method in class org.RDKit.RingInfo
isBondInRingOfSize(long, long) - Method in class org.RDKit.RingInfo
isCompleted() - Method in class org.RDKit.MCSResult
 
isComplexQuery(Bond) - Static method in class org.RDKit.RDKFuncs
 
isComplexQuery(Atom) - Static method in class org.RDKit.RDKFuncs
 
isComplexQuery__SWIG_0(long, Bond) - Static method in class org.RDKit.RDKFuncsJNI
 
isComplexQuery__SWIG_1(long, Atom) - Static method in class org.RDKit.RDKFuncsJNI
 
isDoubleZero(double) - Static method in class org.RDKit.RDKFuncs
 
isDoubleZero(double) - Static method in class org.RDKit.RDKFuncsJNI
 
isEarlyAtom(int) - Static method in class org.RDKit.RDKFuncs
 
isEarlyAtom(int) - Static method in class org.RDKit.RDKFuncsJNI
 
isEmpty() - Method in class org.RDKit.Atom_Vect
 
isEmpty() - Method in class org.RDKit.Atomic_Params_Vect
 
isEmpty() - Method in class org.RDKit.Bond_Vect
 
isEmpty() - Method in class org.RDKit.Byte_Vect
 
isEmpty() - Method in class org.RDKit.Double_Vect
 
isEmpty() - Method in class org.RDKit.EBV_Vect
 
isEmpty() - Method in class org.RDKit.FF_Contrib_Vect
 
isEmpty() - Method in class org.RDKit.FilterCatalogEntry_Vect
 
isEmpty() - Method in class org.RDKit.FilterCatalogEntry_VectVect
 
isEmpty() - Method in class org.RDKit.FilterCatalogEntryVect
 
isEmpty() - Method in class org.RDKit.FilterMatch_Vect
 
isEmpty() - Method in class org.RDKit.Float_Pair_Vect
 
isEmpty() - Method in class org.RDKit.Int_List
 
isEmpty() - Method in class org.RDKit.Int_Vect
 
isEmpty() - Method in class org.RDKit.Int_Vect_List
 
isEmpty() - Method in class org.RDKit.Int_Vect_Vect
 
isEmpty() - Method in class org.RDKit.Long_Pair_Vect
 
isEmpty() - Method in class org.RDKit.Match_Vect
 
isEmpty() - Method in class org.RDKit.Match_Vect_Vect
 
isEmpty() - Method in class org.RDKit.MolSanitizeException_Vect
 
isEmpty() - Method in class org.RDKit.Point2D_Vect
 
isEmpty() - Method in class org.RDKit.Point3D_Vect
 
isEmpty() - Method in class org.RDKit.Point_Vect
 
isEmpty() - Method in class org.RDKit.ROMol_Vect
 
isEmpty() - Method in class org.RDKit.ROMol_Vect_Vect
 
isEmpty() - Method in class org.RDKit.StereoGroup_Vect
 
isEmpty() - Method in class org.RDKit.Str_Vect
 
isEmpty() - Method in class org.RDKit.StringMolMap_Vect
 
isEmpty() - Method in class org.RDKit.UChar_Vect
 
isEmpty() - Method in class org.RDKit.UInt_List
 
isEmpty() - Method in class org.RDKit.UInt_Pair_Vect
 
isEmpty() - Method in class org.RDKit.UInt_Vect
 
isEmpty() - Method in class org.RDKit.UIntPairVect
 
isImplicit_get() - Static method in class org.RDKit.RDKFuncsJNI
 
isInGroup6(int) - Static method in class org.RDKit.RDKFuncs
 
isInGroup6(int) - Static method in class org.RDKit.RDKFuncsJNI
 
isInitialized() - Method in class org.RDKit.ChemicalReaction
 
isInitialized() - Method in class org.RDKit.RingInfo
 
IsInRing() - Method in class org.RDKit.Atom
 
IsInRing() - Method in class org.RDKit.Bond
 
IsInRingSize(int) - Method in class org.RDKit.Atom
 
IsInRingSize(int) - Method in class org.RDKit.Bond
 
isMoleculeAgentOfReaction(ChemicalReaction, ROMol, SWIGTYPE_p_unsigned_int) - Static method in class org.RDKit.RDKFuncs
 
isMoleculeAgentOfReaction(ChemicalReaction, ROMol) - Static method in class org.RDKit.RDKFuncs
 
isMoleculeAgentOfReaction__SWIG_0(long, ChemicalReaction, long, ROMol, long) - Static method in class org.RDKit.RDKFuncsJNI
 
isMoleculeAgentOfReaction__SWIG_1(long, ChemicalReaction, long, ROMol) - Static method in class org.RDKit.RDKFuncsJNI
 
isMoleculeProductOfReaction(ChemicalReaction, ROMol, SWIGTYPE_p_unsigned_int) - Static method in class org.RDKit.RDKFuncs
 
isMoleculeProductOfReaction(ChemicalReaction, ROMol) - Static method in class org.RDKit.RDKFuncs
 
isMoleculeProductOfReaction__SWIG_0(long, ChemicalReaction, long, ROMol, long) - Static method in class org.RDKit.RDKFuncsJNI
 
isMoleculeProductOfReaction__SWIG_1(long, ChemicalReaction, long, ROMol) - Static method in class org.RDKit.RDKFuncsJNI
 
isMoleculeReactantOfReaction(ChemicalReaction, ROMol, SWIGTYPE_p_unsigned_int) - Static method in class org.RDKit.RDKFuncs
 
isMoleculeReactantOfReaction(ChemicalReaction, ROMol) - Static method in class org.RDKit.RDKFuncs
 
isMoleculeReactantOfReaction__SWIG_0(long, ChemicalReaction, long, ROMol, long) - Static method in class org.RDKit.RDKFuncsJNI
 
isMoleculeReactantOfReaction__SWIG_1(long, ChemicalReaction, long, ROMol) - Static method in class org.RDKit.RDKFuncsJNI
 
Isotope_get() - Static method in class org.RDKit.RDKFuncsJNI
 
IsotopeLabels_get() - Static method in class org.RDKit.RDKFuncsJNI
 
isotopeParent(RWMol, CleanupParameters) - Static method in class org.RDKit.RDKFuncs
 
isotopeParent(RWMol) - Static method in class org.RDKit.RDKFuncs
 
isotopeParent__SWIG_0(long, RWMol, long, CleanupParameters) - Static method in class org.RDKit.RDKFuncsJNI
 
isotopeParent__SWIG_1(long, RWMol) - Static method in class org.RDKit.RDKFuncsJNI
 
isotopesAtomData_get() - Static method in class org.RDKit.RDKFuncsJNI
 
isValid() - Method in class org.RDKit.FilterCatalogEntry
 
isValid() - Method in class org.RDKit.FilterMatcherBase
 

K

kappa1Version_get() - Static method in class org.RDKit.RDKFuncsJNI
 
kappa2Version_get() - Static method in class org.RDKit.RDKFuncsJNI
 
kappa3Version_get() - Static method in class org.RDKit.RDKFuncsJNI
 
Kekulize(RWMol, boolean, long) - Static method in class org.RDKit.RDKFuncs
Kekulizes the molecule.
Kekulize(RWMol, boolean) - Static method in class org.RDKit.RDKFuncs
Kekulizes the molecule.
Kekulize(RWMol) - Static method in class org.RDKit.RDKFuncs
Kekulizes the molecule.
Kekulize(boolean, long) - Method in class org.RDKit.RWMol
 
Kekulize(boolean) - Method in class org.RDKit.RWMol
 
Kekulize() - Method in class org.RDKit.RWMol
 
Kekulize__SWIG_0(long, RWMol, boolean, long) - Static method in class org.RDKit.RDKFuncsJNI
 
Kekulize__SWIG_1(long, RWMol, boolean) - Static method in class org.RDKit.RDKFuncsJNI
 
Kekulize__SWIG_2(long, RWMol) - Static method in class org.RDKit.RDKFuncsJNI
 
KekulizeException - Exception in org.RDKit
 
KekulizeException(long, boolean) - Constructor for exception org.RDKit.KekulizeException
 
KekulizeException(String, UInt_Vect) - Constructor for exception org.RDKit.KekulizeException
 
KekulizeException(KekulizeException) - Constructor for exception org.RDKit.KekulizeException
 
KekulizeException_copy(long, KekulizeException) - Static method in class org.RDKit.RDKFuncsJNI
 
KekulizeException_dynamic_cast(long, MolSanitizeException) - Static method in class org.RDKit.RDKFuncsJNI
 
KekulizeException_getAtomIndices(long, KekulizeException) - Static method in class org.RDKit.RDKFuncsJNI
 
KekulizeException_getType(long, KekulizeException) - Static method in class org.RDKit.RDKFuncsJNI
 
KekulizeException_SWIGSmartPtrUpcast(long) - Static method in class org.RDKit.RDKFuncsJNI
 
key() - Method in exception org.RDKit.KeyErrorException
 
KeyErrorException - Exception in org.RDKit
 
KeyErrorException(long, boolean) - Constructor for exception org.RDKit.KeyErrorException
 
KeyErrorException(String) - Constructor for exception org.RDKit.KeyErrorException
 
KeyErrorException_key(long, KeyErrorException) - Static method in class org.RDKit.RDKFuncsJNI
 
KeyErrorException_message(long, KeyErrorException) - Static method in class org.RDKit.RDKFuncsJNI
 
keys() - Method in class org.RDKit.Dict
 
keys() - Method in class org.RDKit.StringROMol_VectMap
 
KulczynskiSimilarity(ExplicitBitVect, ExplicitBitVect) - Static method in class org.RDKit.RDKFuncs
 
KulczynskiSimilarity(long, ExplicitBitVect, long, ExplicitBitVect) - Static method in class org.RDKit.RDKFuncsJNI
 

L

labuteASAVersion_get() - Static method in class org.RDKit.RDKFuncsJNI
 
lambda_get() - Static method in class org.RDKit.RDKFuncsJNI
 
LayeredFingerprintMol(ROMol, long, long, long, long, UInt_Vect, ExplicitBitVect, boolean, UInt_Vect) - Static method in class org.RDKit.RDKFuncs
 
LayeredFingerprintMol(ROMol, long, long, long, long, UInt_Vect, ExplicitBitVect, boolean) - Static method in class org.RDKit.RDKFuncs
 
LayeredFingerprintMol(ROMol, long, long, long, long, UInt_Vect, ExplicitBitVect) - Static method in class org.RDKit.RDKFuncs
 
LayeredFingerprintMol(ROMol, long, long, long, long, UInt_Vect) - Static method in class org.RDKit.RDKFuncs
 
LayeredFingerprintMol(ROMol, long, long, long, long) - Static method in class org.RDKit.RDKFuncs
 
LayeredFingerprintMol(ROMol, long, long, long) - Static method in class org.RDKit.RDKFuncs
 
LayeredFingerprintMol(ROMol, long, long) - Static method in class org.RDKit.RDKFuncs
 
LayeredFingerprintMol(ROMol, long) - Static method in class org.RDKit.RDKFuncs
 
LayeredFingerprintMol(ROMol) - Static method in class org.RDKit.RDKFuncs
 
LayeredFingerprintMol__SWIG_0(long, ROMol, long, long, long, long, long, UInt_Vect, long, ExplicitBitVect, boolean, long, UInt_Vect) - Static method in class org.RDKit.RDKFuncsJNI
 
LayeredFingerprintMol__SWIG_1(long, ROMol, long, long, long, long, long, UInt_Vect, long, ExplicitBitVect, boolean) - Static method in class org.RDKit.RDKFuncsJNI
 
LayeredFingerprintMol__SWIG_2(long, ROMol, long, long, long, long, long, UInt_Vect, long, ExplicitBitVect) - Static method in class org.RDKit.RDKFuncsJNI
 
LayeredFingerprintMol__SWIG_3(long, ROMol, long, long, long, long, long, UInt_Vect) - Static method in class org.RDKit.RDKFuncsJNI
 
LayeredFingerprintMol__SWIG_4(long, ROMol, long, long, long, long) - Static method in class org.RDKit.RDKFuncsJNI
 
LayeredFingerprintMol__SWIG_5(long, ROMol, long, long, long) - Static method in class org.RDKit.RDKFuncsJNI
 
LayeredFingerprintMol__SWIG_6(long, ROMol, long, long) - Static method in class org.RDKit.RDKFuncsJNI
 
LayeredFingerprintMol__SWIG_7(long, ROMol, long) - Static method in class org.RDKit.RDKFuncsJNI
 
LayeredFingerprintMol__SWIG_8(long, ROMol) - Static method in class org.RDKit.RDKFuncsJNI
 
LayeredFingerprintMolVersion_get() - Static method in class org.RDKit.RDKFuncsJNI
 
length() - Method in class org.RDKit.Point
 
length() - Method in class org.RDKit.Point2D
 
length() - Method in class org.RDKit.Point3D
 
length() - Method in class org.RDKit.PointND
 
length() - Method in class org.RDKit.ResonanceMolSupplier
 
length() - Method in class org.RDKit.SDMolSupplier
 
length() - Method in class org.RDKit.SmilesMolSupplier
 
length() - Method in class org.RDKit.TDTMolSupplier
 
lengthSq() - Method in class org.RDKit.Point
 
lengthSq() - Method in class org.RDKit.Point2D
 
lengthSq() - Method in class org.RDKit.Point3D
 
lengthSq() - Method in class org.RDKit.PointND
 
lineWidth() - Method in class org.RDKit.MolDraw2D
 
lipinskiHBAVersion_get() - Static method in class org.RDKit.RDKFuncsJNI
 
lipinskiHBDVersion_get() - Static method in class org.RDKit.RDKFuncsJNI
 
Long_Pair - Class in org.RDKit
 
Long_Pair(long, boolean) - Constructor for class org.RDKit.Long_Pair
 
Long_Pair() - Constructor for class org.RDKit.Long_Pair
 
Long_Pair(long, int) - Constructor for class org.RDKit.Long_Pair
 
Long_Pair(Long_Pair) - Constructor for class org.RDKit.Long_Pair
 
Long_Pair_first_get(long, Long_Pair) - Static method in class org.RDKit.RDKFuncsJNI
 
Long_Pair_first_set(long, Long_Pair, long) - Static method in class org.RDKit.RDKFuncsJNI
 
Long_Pair_second_get(long, Long_Pair) - Static method in class org.RDKit.RDKFuncsJNI
 
Long_Pair_second_set(long, Long_Pair, int) - Static method in class org.RDKit.RDKFuncsJNI
 
Long_Pair_Vect - Class in org.RDKit
 
Long_Pair_Vect(long, boolean) - Constructor for class org.RDKit.Long_Pair_Vect
 
Long_Pair_Vect() - Constructor for class org.RDKit.Long_Pair_Vect
 
Long_Pair_Vect(long) - Constructor for class org.RDKit.Long_Pair_Vect
 
Long_Pair_Vect_add(long, Long_Pair_Vect, long, Long_Pair) - Static method in class org.RDKit.RDKFuncsJNI
 
Long_Pair_Vect_capacity(long, Long_Pair_Vect) - Static method in class org.RDKit.RDKFuncsJNI
 
Long_Pair_Vect_clear(long, Long_Pair_Vect) - Static method in class org.RDKit.RDKFuncsJNI
 
Long_Pair_Vect_equals(long, Long_Pair_Vect, long, Long_Pair_Vect) - Static method in class org.RDKit.RDKFuncsJNI
 
Long_Pair_Vect_get(long, Long_Pair_Vect, int) - Static method in class org.RDKit.RDKFuncsJNI
 
Long_Pair_Vect_isEmpty(long, Long_Pair_Vect) - Static method in class org.RDKit.RDKFuncsJNI
 
Long_Pair_Vect_reserve(long, Long_Pair_Vect, long) - Static method in class org.RDKit.RDKFuncsJNI
 
Long_Pair_Vect_set(long, Long_Pair_Vect, int, long, Long_Pair) - Static method in class org.RDKit.RDKFuncsJNI
 
Long_Pair_Vect_size(long, Long_Pair_Vect) - Static method in class org.RDKit.RDKFuncsJNI
 
ltDouble - Class in org.RDKit
 
ltDouble(long, boolean) - Constructor for class org.RDKit.ltDouble
 
ltDouble() - Constructor for class org.RDKit.ltDouble
 

M

M_PI - Static variable in interface org.RDKit.RDKFuncsConstants
 
M_PI_get() - Static method in class org.RDKit.RDKFuncsJNI
 
MACCSFingerprintMol(ROMol) - Static method in class org.RDKit.RDKFuncs
 
MACCSFingerprintMol(long, ROMol) - Static method in class org.RDKit.RDKFuncsJNI
 
maccsFingerprintVersion_get() - Static method in class org.RDKit.RDKFuncsJNI
 
makeAAtomQuery() - Static method in class org.RDKit.RDKFuncs
 
makeAAtomQuery() - Static method in class org.RDKit.RDKFuncsJNI
 
makeAHAtomQuery() - Static method in class org.RDKit.RDKFuncs
 
makeAHAtomQuery() - Static method in class org.RDKit.RDKFuncsJNI
 
makeAtomAliphaticQuery() - Static method in class org.RDKit.RDKFuncs
 
makeAtomAliphaticQuery() - Static method in class org.RDKit.RDKFuncsJNI
 
makeAtomAromaticQuery() - Static method in class org.RDKit.RDKFuncs
 
makeAtomAromaticQuery() - Static method in class org.RDKit.RDKFuncsJNI
 
makeAtomExplicitDegreeQuery(int) - Static method in class org.RDKit.RDKFuncs
 
makeAtomExplicitDegreeQuery(int) - Static method in class org.RDKit.RDKFuncsJNI
 
makeAtomExplicitValenceQuery(int) - Static method in class org.RDKit.RDKFuncs
 
makeAtomExplicitValenceQuery(int) - Static method in class org.RDKit.RDKFuncsJNI
 
makeAtomFormalChargeQuery(int) - Static method in class org.RDKit.RDKFuncs
 
makeAtomFormalChargeQuery(int) - Static method in class org.RDKit.RDKFuncsJNI
 
makeAtomHasAliphaticHeteroatomNbrsQuery() - Static method in class org.RDKit.RDKFuncs
 
makeAtomHasAliphaticHeteroatomNbrsQuery() - Static method in class org.RDKit.RDKFuncsJNI
 
makeAtomHasChiralTagQuery() - Static method in class org.RDKit.RDKFuncs
 
makeAtomHasChiralTagQuery() - Static method in class org.RDKit.RDKFuncsJNI
 
makeAtomHasHeteroatomNbrsQuery() - Static method in class org.RDKit.RDKFuncs
 
makeAtomHasHeteroatomNbrsQuery() - Static method in class org.RDKit.RDKFuncsJNI
 
makeAtomHasImplicitHQuery() - Static method in class org.RDKit.RDKFuncs
 
makeAtomHasImplicitHQuery() - Static method in class org.RDKit.RDKFuncsJNI
 
makeAtomHasRingBondQuery() - Static method in class org.RDKit.RDKFuncs
 
makeAtomHasRingBondQuery() - Static method in class org.RDKit.RDKFuncsJNI
 
makeAtomHCountQuery(int) - Static method in class org.RDKit.RDKFuncs
 
makeAtomHCountQuery(int) - Static method in class org.RDKit.RDKFuncsJNI
 
makeAtomHeavyAtomDegreeQuery(int) - Static method in class org.RDKit.RDKFuncs
 
makeAtomHeavyAtomDegreeQuery(int) - Static method in class org.RDKit.RDKFuncsJNI
 
makeAtomHybridizationQuery(int) - Static method in class org.RDKit.RDKFuncs
 
makeAtomHybridizationQuery(int) - Static method in class org.RDKit.RDKFuncsJNI
 
makeAtomImplicitHCountQuery(int) - Static method in class org.RDKit.RDKFuncs
 
makeAtomImplicitHCountQuery(int) - Static method in class org.RDKit.RDKFuncsJNI
 
makeAtomImplicitValenceQuery(int) - Static method in class org.RDKit.RDKFuncs
 
makeAtomImplicitValenceQuery(int) - Static method in class org.RDKit.RDKFuncsJNI
 
makeAtomInNRingsQuery(int) - Static method in class org.RDKit.RDKFuncs
 
makeAtomInNRingsQuery(int) - Static method in class org.RDKit.RDKFuncsJNI
 
makeAtomInRingOfSizeQuery(int) - Static method in class org.RDKit.RDKFuncs
 
makeAtomInRingOfSizeQuery(int) - Static method in class org.RDKit.RDKFuncsJNI
 
makeAtomInRingQuery() - Static method in class org.RDKit.RDKFuncs
 
makeAtomInRingQuery() - Static method in class org.RDKit.RDKFuncsJNI
 
makeAtomIsotopeQuery(int) - Static method in class org.RDKit.RDKFuncs
 
makeAtomIsotopeQuery(int) - Static method in class org.RDKit.RDKFuncsJNI
 
makeAtomMassQuery(int) - Static method in class org.RDKit.RDKFuncs
 
makeAtomMassQuery(int) - Static method in class org.RDKit.RDKFuncsJNI
 
makeAtomMinRingSizeQuery(int) - Static method in class org.RDKit.RDKFuncs
 
makeAtomMinRingSizeQuery(int) - Static method in class org.RDKit.RDKFuncsJNI
 
makeAtomMissingChiralTagQuery() - Static method in class org.RDKit.RDKFuncs
 
makeAtomMissingChiralTagQuery() - Static method in class org.RDKit.RDKFuncsJNI
 
makeAtomNegativeFormalChargeQuery(int) - Static method in class org.RDKit.RDKFuncs
 
makeAtomNegativeFormalChargeQuery(int) - Static method in class org.RDKit.RDKFuncsJNI
 
makeAtomNullQuery() - Static method in class org.RDKit.RDKFuncs
 
makeAtomNullQuery() - Static method in class org.RDKit.RDKFuncsJNI
 
makeAtomNumAliphaticHeteroatomNbrsQuery(int) - Static method in class org.RDKit.RDKFuncs
 
makeAtomNumAliphaticHeteroatomNbrsQuery(int) - Static method in class org.RDKit.RDKFuncsJNI
 
makeAtomNumHeteroatomNbrsQuery(int) - Static method in class org.RDKit.RDKFuncs
 
makeAtomNumHeteroatomNbrsQuery(int) - Static method in class org.RDKit.RDKFuncsJNI
 
makeAtomNumQuery(int) - Static method in class org.RDKit.RDKFuncs
 
makeAtomNumQuery(int) - Static method in class org.RDKit.RDKFuncsJNI
 
makeAtomNumRadicalElectronsQuery(int) - Static method in class org.RDKit.RDKFuncs
 
makeAtomNumRadicalElectronsQuery(int) - Static method in class org.RDKit.RDKFuncsJNI
 
makeAtomRangeQuery(int, int, boolean, boolean, SWIGTYPE_p_f_p_q_const__RDKit__Atom__int, String) - Static method in class org.RDKit.RDKFuncs
 
makeAtomRangeQuery(int, int, boolean, boolean, SWIGTYPE_p_f_p_q_const__RDKit__Atom__int) - Static method in class org.RDKit.RDKFuncs
 
makeAtomRangeQuery__SWIG_0(int, int, boolean, boolean, long, String) - Static method in class org.RDKit.RDKFuncsJNI
 
makeAtomRangeQuery__SWIG_1(int, int, boolean, boolean, long) - Static method in class org.RDKit.RDKFuncsJNI
 
makeAtomRingBondCountQuery(int) - Static method in class org.RDKit.RDKFuncs
 
makeAtomRingBondCountQuery(int) - Static method in class org.RDKit.RDKFuncsJNI
 
makeAtomTotalDegreeQuery(int) - Static method in class org.RDKit.RDKFuncs
 
makeAtomTotalDegreeQuery(int) - Static method in class org.RDKit.RDKFuncsJNI
 
makeAtomTotalValenceQuery(int) - Static method in class org.RDKit.RDKFuncs
 
makeAtomTotalValenceQuery(int) - Static method in class org.RDKit.RDKFuncsJNI
 
makeAtomType(int, boolean) - Static method in class org.RDKit.RDKFuncs
 
makeAtomType(int, boolean) - Static method in class org.RDKit.RDKFuncsJNI
 
makeAtomTypeQuery(int, int) - Static method in class org.RDKit.RDKFuncs
 
makeAtomTypeQuery(int, int) - Static method in class org.RDKit.RDKFuncsJNI
 
makeAtomUnsaturatedQuery() - Static method in class org.RDKit.RDKFuncs
 
makeAtomUnsaturatedQuery() - Static method in class org.RDKit.RDKFuncsJNI
 
makeBondDirEqualsQuery(Bond.BondDir) - Static method in class org.RDKit.RDKFuncs
 
makeBondDirEqualsQuery(int) - Static method in class org.RDKit.RDKFuncsJNI
 
makeBondHasStereoQuery() - Static method in class org.RDKit.RDKFuncs
 
makeBondHasStereoQuery() - Static method in class org.RDKit.RDKFuncsJNI
 
makeBondInNRingsQuery(int) - Static method in class org.RDKit.RDKFuncs
 
makeBondInNRingsQuery(int) - Static method in class org.RDKit.RDKFuncsJNI
 
makeBondInRingOfSizeQuery(int) - Static method in class org.RDKit.RDKFuncs
 
makeBondInRingOfSizeQuery(int) - Static method in class org.RDKit.RDKFuncsJNI
 
makeBondIsInRingQuery() - Static method in class org.RDKit.RDKFuncs
 
makeBondIsInRingQuery() - Static method in class org.RDKit.RDKFuncsJNI
 
makeBondMinRingSizeQuery(int) - Static method in class org.RDKit.RDKFuncs
 
makeBondMinRingSizeQuery(int) - Static method in class org.RDKit.RDKFuncsJNI
 
makeBondNullQuery() - Static method in class org.RDKit.RDKFuncs
 
makeBondNullQuery() - Static method in class org.RDKit.RDKFuncsJNI
 
makeBondOrderEqualsQuery(Bond.BondType) - Static method in class org.RDKit.RDKFuncs
 
makeBondOrderEqualsQuery(int) - Static method in class org.RDKit.RDKFuncsJNI
 
makeFingerprint(ROMol) - Method in class org.RDKit.FPHolderBase
 
makeFingerprint(ROMol) - Method in class org.RDKit.PatternHolder
 
makeMAtomQuery() - Static method in class org.RDKit.RDKFuncs
 
makeMAtomQuery() - Static method in class org.RDKit.RDKFuncsJNI
 
makeMHAtomQuery() - Static method in class org.RDKit.RDKFuncs
 
makeMHAtomQuery() - Static method in class org.RDKit.RDKFuncsJNI
 
makeQAtomQuery() - Static method in class org.RDKit.RDKFuncs
 
makeQAtomQuery() - Static method in class org.RDKit.RDKFuncsJNI
 
makeQHAtomQuery() - Static method in class org.RDKit.RDKFuncs
 
makeQHAtomQuery() - Static method in class org.RDKit.RDKFuncsJNI
 
makeRingNeighborMap(Int_Vect_Vect, Int_Int_Vect_Map, long, long) - Static method in class org.RDKit.RDKFuncs
 
makeRingNeighborMap(Int_Vect_Vect, Int_Int_Vect_Map, long) - Static method in class org.RDKit.RDKFuncs
 
makeRingNeighborMap(Int_Vect_Vect, Int_Int_Vect_Map) - Static method in class org.RDKit.RDKFuncs
 
makeRingNeighborMap__SWIG_0(long, Int_Vect_Vect, long, Int_Int_Vect_Map, long, long) - Static method in class org.RDKit.RDKFuncsJNI
 
makeRingNeighborMap__SWIG_1(long, Int_Vect_Vect, long, Int_Int_Vect_Map, long) - Static method in class org.RDKit.RDKFuncsJNI
 
makeRingNeighborMap__SWIG_2(long, Int_Vect_Vect, long, Int_Int_Vect_Map) - Static method in class org.RDKit.RDKFuncsJNI
 
makeSingleOrAromaticBondQuery() - Static method in class org.RDKit.RDKFuncs
 
makeSingleOrAromaticBondQuery() - Static method in class org.RDKit.RDKFuncsJNI
 
makeXAtomQuery() - Static method in class org.RDKit.RDKFuncs
 
makeXAtomQuery() - Static method in class org.RDKit.RDKFuncsJNI
 
makeXHAtomQuery() - Static method in class org.RDKit.RDKFuncs
 
makeXHAtomQuery() - Static method in class org.RDKit.RDKFuncsJNI
 
markConjAtomBonds() - Method in class org.RDKit.Atom
 
Mass() - Method in class org.RDKit.atomicData
 
massIntegerConversionFactor_get() - Static method in class org.RDKit.RDKFuncsJNI
 
Match(Atom) - Method in class org.RDKit.AtomRingQuery
 
Match_Vect - Class in org.RDKit
 
Match_Vect(long, boolean) - Constructor for class org.RDKit.Match_Vect
 
Match_Vect() - Constructor for class org.RDKit.Match_Vect
 
Match_Vect(long) - Constructor for class org.RDKit.Match_Vect
 
Match_Vect_add(long, Match_Vect, long, Int_Pair) - Static method in class org.RDKit.RDKFuncsJNI
 
Match_Vect_capacity(long, Match_Vect) - Static method in class org.RDKit.RDKFuncsJNI
 
Match_Vect_clear(long, Match_Vect) - Static method in class org.RDKit.RDKFuncsJNI
 
Match_Vect_equals(long, Match_Vect, long, Match_Vect) - Static method in class org.RDKit.RDKFuncsJNI
 
Match_Vect_get(long, Match_Vect, int) - Static method in class org.RDKit.RDKFuncsJNI
 
Match_Vect_isEmpty(long, Match_Vect) - Static method in class org.RDKit.RDKFuncsJNI
 
Match_Vect_reserve(long, Match_Vect, long) - Static method in class org.RDKit.RDKFuncsJNI
 
Match_Vect_set(long, Match_Vect, int, long, Int_Pair) - Static method in class org.RDKit.RDKFuncsJNI
 
Match_Vect_size(long, Match_Vect) - Static method in class org.RDKit.RDKFuncsJNI
 
Match_Vect_Vect - Class in org.RDKit
 
Match_Vect_Vect(long, boolean) - Constructor for class org.RDKit.Match_Vect_Vect
 
Match_Vect_Vect() - Constructor for class org.RDKit.Match_Vect_Vect
 
Match_Vect_Vect(long) - Constructor for class org.RDKit.Match_Vect_Vect
 
Match_Vect_Vect_add(long, Match_Vect_Vect, long, Match_Vect) - Static method in class org.RDKit.RDKFuncsJNI
 
Match_Vect_Vect_capacity(long, Match_Vect_Vect) - Static method in class org.RDKit.RDKFuncsJNI
 
Match_Vect_Vect_clear(long, Match_Vect_Vect) - Static method in class org.RDKit.RDKFuncsJNI
 
Match_Vect_Vect_equals(long, Match_Vect_Vect, long, Match_Vect_Vect) - Static method in class org.RDKit.RDKFuncsJNI
 
Match_Vect_Vect_get(long, Match_Vect_Vect, int) - Static method in class org.RDKit.RDKFuncsJNI
 
Match_Vect_Vect_isEmpty(long, Match_Vect_Vect) - Static method in class org.RDKit.RDKFuncsJNI
 
Match_Vect_Vect_reserve(long, Match_Vect_Vect, long) - Static method in class org.RDKit.RDKFuncsJNI
 
Match_Vect_Vect_set(long, Match_Vect_Vect, int, long, Match_Vect) - Static method in class org.RDKit.RDKFuncsJNI
 
Match_Vect_Vect_size(long, Match_Vect_Vect) - Static method in class org.RDKit.RDKFuncsJNI
 
MAX_BONDTYPE_get() - Static method in class org.RDKit.RDKFuncsJNI
 
MAX_CYCLES_get() - Static method in class org.RDKit.RDKFuncsJNI
 
MAX_DOUBLE_get() - Static method in class org.RDKit.RDKFuncsJNI
 
MAX_INT_get() - Static method in class org.RDKit.RDKFuncsJNI
 
MAX_LONGINT_get() - Static method in class org.RDKit.RDKFuncsJNI
 
MAX_NATOMS_get() - Static method in class org.RDKit.RDKFuncsJNI
 
maxAttachIdx_get() - Static method in class org.RDKit.RDKFuncsJNI
 
maxFingerprintLayers_get() - Static method in class org.RDKit.RDKFuncsJNI
 
maxNumBranches_get() - Static method in class org.RDKit.RDKFuncsJNI
 
maxNumPi_get() - Static method in class org.RDKit.RDKFuncsJNI
 
maxPathLen_get() - Static method in class org.RDKit.RDKFuncsJNI
 
McConnaugheySimilarity(ExplicitBitVect, ExplicitBitVect) - Static method in class org.RDKit.RDKFuncs
 
McConnaugheySimilarity(long, ExplicitBitVect, long, ExplicitBitVect) - Static method in class org.RDKit.RDKFuncsJNI
 
MCS_get() - Static method in class org.RDKit.RDKFuncsJNI
 
MCSAtomCompareAny(MCSAtomCompareParameters, ROMol, long, ROMol, long, SWIGTYPE_p_void) - Static method in class org.RDKit.RDKFuncs
 
MCSAtomCompareAny(long, MCSAtomCompareParameters, long, ROMol, long, long, ROMol, long, long) - Static method in class org.RDKit.RDKFuncsJNI
 
MCSAtomCompareAnyHeavyAtom(MCSAtomCompareParameters, ROMol, long, ROMol, long, SWIGTYPE_p_void) - Static method in class org.RDKit.RDKFuncs
 
MCSAtomCompareAnyHeavyAtom(long, MCSAtomCompareParameters, long, ROMol, long, long, ROMol, long, long) - Static method in class org.RDKit.RDKFuncsJNI
 
MCSAtomCompareElements(MCSAtomCompareParameters, ROMol, long, ROMol, long, SWIGTYPE_p_void) - Static method in class org.RDKit.RDKFuncs
 
MCSAtomCompareElements(long, MCSAtomCompareParameters, long, ROMol, long, long, ROMol, long, long) - Static method in class org.RDKit.RDKFuncsJNI
 
MCSAtomCompareIsotopes(MCSAtomCompareParameters, ROMol, long, ROMol, long, SWIGTYPE_p_void) - Static method in class org.RDKit.RDKFuncs
 
MCSAtomCompareIsotopes(long, MCSAtomCompareParameters, long, ROMol, long, long, ROMol, long, long) - Static method in class org.RDKit.RDKFuncsJNI
 
MCSAtomCompareParameters - Class in org.RDKit
 
MCSAtomCompareParameters(long, boolean) - Constructor for class org.RDKit.MCSAtomCompareParameters
 
MCSAtomCompareParameters() - Constructor for class org.RDKit.MCSAtomCompareParameters
 
MCSAtomCompareParameters_MatchChiralTag_get(long, MCSAtomCompareParameters) - Static method in class org.RDKit.RDKFuncsJNI
 
MCSAtomCompareParameters_MatchChiralTag_set(long, MCSAtomCompareParameters, boolean) - Static method in class org.RDKit.RDKFuncsJNI
 
MCSAtomCompareParameters_MatchFormalCharge_get(long, MCSAtomCompareParameters) - Static method in class org.RDKit.RDKFuncsJNI
 
MCSAtomCompareParameters_MatchFormalCharge_set(long, MCSAtomCompareParameters, boolean) - Static method in class org.RDKit.RDKFuncsJNI
 
MCSAtomCompareParameters_MatchValences_get(long, MCSAtomCompareParameters) - Static method in class org.RDKit.RDKFuncsJNI
 
MCSAtomCompareParameters_MatchValences_set(long, MCSAtomCompareParameters, boolean) - Static method in class org.RDKit.RDKFuncsJNI
 
MCSAtomCompareParameters_RingMatchesRingOnly_get(long, MCSAtomCompareParameters) - Static method in class org.RDKit.RDKFuncsJNI
 
MCSAtomCompareParameters_RingMatchesRingOnly_set(long, MCSAtomCompareParameters, boolean) - Static method in class org.RDKit.RDKFuncsJNI
 
MCSBondCompareAny(MCSBondCompareParameters, ROMol, long, ROMol, long, SWIGTYPE_p_void) - Static method in class org.RDKit.RDKFuncs
 
MCSBondCompareAny(long, MCSBondCompareParameters, long, ROMol, long, long, ROMol, long, long) - Static method in class org.RDKit.RDKFuncsJNI
 
MCSBondCompareOrder(MCSBondCompareParameters, ROMol, long, ROMol, long, SWIGTYPE_p_void) - Static method in class org.RDKit.RDKFuncs
 
MCSBondCompareOrder(long, MCSBondCompareParameters, long, ROMol, long, long, ROMol, long, long) - Static method in class org.RDKit.RDKFuncsJNI
 
MCSBondCompareOrderExact(MCSBondCompareParameters, ROMol, long, ROMol, long, SWIGTYPE_p_void) - Static method in class org.RDKit.RDKFuncs
 
MCSBondCompareOrderExact(long, MCSBondCompareParameters, long, ROMol, long, long, ROMol, long, long) - Static method in class org.RDKit.RDKFuncsJNI
 
MCSBondCompareParameters - Class in org.RDKit
 
MCSBondCompareParameters(long, boolean) - Constructor for class org.RDKit.MCSBondCompareParameters
 
MCSBondCompareParameters() - Constructor for class org.RDKit.MCSBondCompareParameters
 
MCSBondCompareParameters_CompleteRingsOnly_get(long, MCSBondCompareParameters) - Static method in class org.RDKit.RDKFuncsJNI
 
MCSBondCompareParameters_CompleteRingsOnly_set(long, MCSBondCompareParameters, boolean) - Static method in class org.RDKit.RDKFuncsJNI
 
MCSBondCompareParameters_MatchFusedRings_get(long, MCSBondCompareParameters) - Static method in class org.RDKit.RDKFuncsJNI
 
MCSBondCompareParameters_MatchFusedRings_set(long, MCSBondCompareParameters, boolean) - Static method in class org.RDKit.RDKFuncsJNI
 
MCSBondCompareParameters_MatchFusedRingsStrict_get(long, MCSBondCompareParameters) - Static method in class org.RDKit.RDKFuncsJNI
 
MCSBondCompareParameters_MatchFusedRingsStrict_set(long, MCSBondCompareParameters, boolean) - Static method in class org.RDKit.RDKFuncsJNI
 
MCSBondCompareParameters_MatchStereo_get(long, MCSBondCompareParameters) - Static method in class org.RDKit.RDKFuncsJNI
 
MCSBondCompareParameters_MatchStereo_set(long, MCSBondCompareParameters, boolean) - Static method in class org.RDKit.RDKFuncsJNI
 
MCSBondCompareParameters_RingMatchesRingOnly_get(long, MCSBondCompareParameters) - Static method in class org.RDKit.RDKFuncsJNI
 
MCSBondCompareParameters_RingMatchesRingOnly_set(long, MCSBondCompareParameters, boolean) - Static method in class org.RDKit.RDKFuncsJNI
 
MCSProgressCallbackTimeout(MCSProgressData, SWIGTYPE_p_RDKit__MCSParameters, SWIGTYPE_p_void) - Static method in class org.RDKit.RDKFuncs
 
MCSProgressCallbackTimeout(long, MCSProgressData, long, long) - Static method in class org.RDKit.RDKFuncsJNI
 
MCSProgressData - Class in org.RDKit
 
MCSProgressData(long, boolean) - Constructor for class org.RDKit.MCSProgressData
 
MCSProgressData() - Constructor for class org.RDKit.MCSProgressData
 
MCSProgressData_NumAtoms_get(long, MCSProgressData) - Static method in class org.RDKit.RDKFuncsJNI
 
MCSProgressData_NumAtoms_set(long, MCSProgressData, long) - Static method in class org.RDKit.RDKFuncsJNI
 
MCSProgressData_NumBonds_get(long, MCSProgressData) - Static method in class org.RDKit.RDKFuncsJNI
 
MCSProgressData_NumBonds_set(long, MCSProgressData, long) - Static method in class org.RDKit.RDKFuncsJNI
 
MCSProgressData_SeedProcessed_get(long, MCSProgressData) - Static method in class org.RDKit.RDKFuncsJNI
 
MCSProgressData_SeedProcessed_set(long, MCSProgressData, long) - Static method in class org.RDKit.RDKFuncsJNI
 
MCSResult - Class in org.RDKit
 
MCSResult(long, boolean) - Constructor for class org.RDKit.MCSResult
 
MCSResult() - Constructor for class org.RDKit.MCSResult
 
MCSResult_Canceled_get(long, MCSResult) - Static method in class org.RDKit.RDKFuncsJNI
 
MCSResult_Canceled_set(long, MCSResult, boolean) - Static method in class org.RDKit.RDKFuncsJNI
 
MCSResult_isCompleted(long, MCSResult) - Static method in class org.RDKit.RDKFuncsJNI
 
MCSResult_NumAtoms_get(long, MCSResult) - Static method in class org.RDKit.RDKFuncsJNI
 
MCSResult_NumAtoms_set(long, MCSResult, long) - Static method in class org.RDKit.RDKFuncsJNI
 
MCSResult_NumBonds_get(long, MCSResult) - Static method in class org.RDKit.RDKFuncsJNI
 
MCSResult_NumBonds_set(long, MCSResult, long) - Static method in class org.RDKit.RDKFuncsJNI
 
MCSResult_SmartsString_get(long, MCSResult) - Static method in class org.RDKit.RDKFuncsJNI
 
MCSResult_SmartsString_set(long, MCSResult, String) - Static method in class org.RDKit.RDKFuncsJNI
 
MDLRGroup_get() - Static method in class org.RDKit.RDKFuncsJNI
 
MDLRGroupLabels_get() - Static method in class org.RDKit.RDKFuncsJNI
 
mergeQueryHs(ROMol, boolean) - Static method in class org.RDKit.RDKFuncs
 
mergeQueryHs(ROMol) - Static method in class org.RDKit.RDKFuncs
returns a copy of a molecule with hydrogens removed and added as queries to the heavy atoms to which they are bound.
mergeQueryHs(RWMol, boolean) - Static method in class org.RDKit.RDKFuncs
 
mergeQueryHs(RWMol) - Static method in class org.RDKit.RDKFuncs
 
mergeQueryHs() - Method in class org.RDKit.ROMol
 
mergeQueryHs__SWIG_0(long, ROMol, boolean) - Static method in class org.RDKit.RDKFuncsJNI
 
mergeQueryHs__SWIG_1(long, ROMol) - Static method in class org.RDKit.RDKFuncsJNI
 
mergeQueryHs__SWIG_2(long, RWMol, boolean) - Static method in class org.RDKit.RDKFuncsJNI
 
mergeQueryHs__SWIG_3(long, RWMol) - Static method in class org.RDKit.RDKFuncsJNI
 
message() - Method in exception org.RDKit.ChemicalReactionException
 
message() - Method in exception org.RDKit.ChemicalReactionParserException
 
message() - Method in exception org.RDKit.ConformerException
 
message() - Method in exception org.RDKit.GenericRDKitException
 
message() - Method in exception org.RDKit.KeyErrorException
 
message() - Method in class org.RDKit.MolFileUnhandledFeatureException
 
message() - Method in exception org.RDKit.MolPicklerException
 
message() - Method in exception org.RDKit.MolSanitizeException
 
message() - Method in exception org.RDKit.SmilesParseException
 
message() - Method in class org.RDKit.ValueErrorException
 
minAtomRingSize(long) - Method in class org.RDKit.RingInfo
minBondRingSize(long) - Method in class org.RDKit.RingInfo
minimize(long, SWIGTYPE_p_std__vectorT_RDKit__Snapshot_t, long, double, double) - Method in class org.RDKit.ForceField
 
minimize(long, SWIGTYPE_p_std__vectorT_RDKit__Snapshot_t, long, double) - Method in class org.RDKit.ForceField
 
minimize(long, SWIGTYPE_p_std__vectorT_RDKit__Snapshot_t, long) - Method in class org.RDKit.ForceField
 
minimize(long, SWIGTYPE_p_std__vectorT_RDKit__Snapshot_t) - Method in class org.RDKit.ForceField
 
minimize(long, double, double) - Method in class org.RDKit.ForceField
 
minimize(long, double) - Method in class org.RDKit.ForceField
 
minimize(long) - Method in class org.RDKit.ForceField
 
minimize() - Method in class org.RDKit.ForceField
 
minPt() - Method in class org.RDKit.MolDraw2D
 
minus(Point2D) - Method in class org.RDKit.Point2D
 
minus(Point3D) - Method in class org.RDKit.Point3D
 
MMFFGetMoleculeForceField(ROMol, String, double, int, boolean) - Static method in class org.RDKit.ForceField
 
MMFFGetMoleculeForceField(ROMol, String, double, int) - Static method in class org.RDKit.ForceField
 
MMFFGetMoleculeForceField(ROMol, String, double) - Static method in class org.RDKit.ForceField
 
MMFFGetMoleculeForceField(ROMol, String) - Static method in class org.RDKit.ForceField
 
MMFFGetMoleculeForceField(ROMol) - Static method in class org.RDKit.ForceField
 
MMFFHasAllMoleculeParams(ROMol) - Static method in class org.RDKit.ForceField
 
MMFFOptimizeMolecule(ROMol, String, int, double, int, boolean) - Static method in class org.RDKit.ForceField
 
MMFFOptimizeMolecule(ROMol, String, int, double, int) - Static method in class org.RDKit.ForceField
 
MMFFOptimizeMolecule(ROMol, String, int, double) - Static method in class org.RDKit.ForceField
 
MMFFOptimizeMolecule(ROMol, String, int) - Static method in class org.RDKit.ForceField
 
MMFFOptimizeMolecule(ROMol, String) - Static method in class org.RDKit.ForceField
 
MMFFOptimizeMolecule(ROMol) - Static method in class org.RDKit.ForceField
 
mol() - Method in class org.RDKit.ResonanceMolSupplier
 
Mol2BlockToMol(String, boolean, boolean, Mol2Type, boolean) - Static method in class org.RDKit.RDKFuncs
 
Mol2BlockToMol(String, boolean, boolean, Mol2Type) - Static method in class org.RDKit.RDKFuncs
 
Mol2BlockToMol(String, boolean, boolean) - Static method in class org.RDKit.RDKFuncs
 
Mol2BlockToMol(String, boolean) - Static method in class org.RDKit.RDKFuncs
 
Mol2BlockToMol(String) - Static method in class org.RDKit.RDKFuncs
 
Mol2BlockToMol__SWIG_0(String, boolean, boolean, int, boolean) - Static method in class org.RDKit.RDKFuncsJNI
 
Mol2BlockToMol__SWIG_1(String, boolean, boolean, int) - Static method in class org.RDKit.RDKFuncsJNI
 
Mol2BlockToMol__SWIG_2(String, boolean, boolean) - Static method in class org.RDKit.RDKFuncsJNI
 
Mol2BlockToMol__SWIG_3(String, boolean) - Static method in class org.RDKit.RDKFuncsJNI
 
Mol2BlockToMol__SWIG_4(String) - Static method in class org.RDKit.RDKFuncsJNI
 
Mol2DataStreamToMol(SWIGTYPE_p_std__istream, boolean, boolean, Mol2Type, boolean) - Static method in class org.RDKit.RDKFuncs
 
Mol2DataStreamToMol(SWIGTYPE_p_std__istream, boolean, boolean, Mol2Type) - Static method in class org.RDKit.RDKFuncs
 
Mol2DataStreamToMol(SWIGTYPE_p_std__istream, boolean, boolean) - Static method in class org.RDKit.RDKFuncs
 
Mol2DataStreamToMol(SWIGTYPE_p_std__istream, boolean) - Static method in class org.RDKit.RDKFuncs
 
Mol2DataStreamToMol(SWIGTYPE_p_std__istream) - Static method in class org.RDKit.RDKFuncs
 
Mol2DataStreamToMol__SWIG_0(long, boolean, boolean, int, boolean) - Static method in class org.RDKit.RDKFuncsJNI
 
Mol2DataStreamToMol__SWIG_1(long, boolean, boolean, int) - Static method in class org.RDKit.RDKFuncsJNI
 
Mol2DataStreamToMol__SWIG_2(long, boolean, boolean) - Static method in class org.RDKit.RDKFuncsJNI
 
Mol2DataStreamToMol__SWIG_3(long, boolean) - Static method in class org.RDKit.RDKFuncsJNI
 
Mol2DataStreamToMol__SWIG_4(long) - Static method in class org.RDKit.RDKFuncsJNI
 
Mol2FileToMol(String, boolean, boolean, Mol2Type, boolean) - Static method in class org.RDKit.RDKFuncs
 
Mol2FileToMol(String, boolean, boolean, Mol2Type) - Static method in class org.RDKit.RDKFuncs
 
Mol2FileToMol(String, boolean, boolean) - Static method in class org.RDKit.RDKFuncs
 
Mol2FileToMol(String, boolean) - Static method in class org.RDKit.RDKFuncs
 
Mol2FileToMol(String) - Static method in class org.RDKit.RDKFuncs
 
Mol2FileToMol__SWIG_0(String, boolean, boolean, int, boolean) - Static method in class org.RDKit.RDKFuncsJNI
 
Mol2FileToMol__SWIG_1(String, boolean, boolean, int) - Static method in class org.RDKit.RDKFuncsJNI
 
Mol2FileToMol__SWIG_2(String, boolean, boolean) - Static method in class org.RDKit.RDKFuncsJNI
 
Mol2FileToMol__SWIG_3(String, boolean) - Static method in class org.RDKit.RDKFuncsJNI
 
Mol2FileToMol__SWIG_4(String) - Static method in class org.RDKit.RDKFuncsJNI
 
Mol2Type - Enum in org.RDKit
 
MOL_STACK_ATOM_get() - Static method in class org.RDKit.RDKFuncsJNI
 
molAtomMapNumber_get() - Static method in class org.RDKit.RDKFuncsJNI
 
MolBlockToInchi(String, ExtraInchiReturnValues, String) - Static method in class org.RDKit.RDKFuncs
 
MolBlockToInchi(String, ExtraInchiReturnValues) - Static method in class org.RDKit.RDKFuncs
 
MolBlockToInchi__SWIG_0(String, long, ExtraInchiReturnValues, String) - Static method in class org.RDKit.RDKFuncsJNI
 
MolBlockToInchi__SWIG_1(String, long, ExtraInchiReturnValues) - Static method in class org.RDKit.RDKFuncsJNI
 
MolBlockToMol(String, boolean, boolean, boolean) - Static method in class org.RDKit.RDKFuncs
 
MolBlockToMol(String, boolean, boolean) - Static method in class org.RDKit.RDKFuncs
 
MolBlockToMol(String, boolean) - Static method in class org.RDKit.RDKFuncs
 
MolBlockToMol(String) - Static method in class org.RDKit.RDKFuncs
 
MolBlockToMol__SWIG_0(String, boolean, boolean, boolean) - Static method in class org.RDKit.RDKFuncsJNI
 
MolBlockToMol__SWIG_1(String, boolean, boolean) - Static method in class org.RDKit.RDKFuncsJNI
 
MolBlockToMol__SWIG_2(String, boolean) - Static method in class org.RDKit.RDKFuncsJNI
 
MolBlockToMol__SWIG_3(String) - Static method in class org.RDKit.RDKFuncsJNI
 
MolDataStreamToMol(SWIGTYPE_p_std__istream, SWIGTYPE_p_unsigned_int, boolean, boolean, boolean) - Static method in class org.RDKit.RDKFuncs
 
MolDataStreamToMol(SWIGTYPE_p_std__istream, SWIGTYPE_p_unsigned_int, boolean, boolean) - Static method in class org.RDKit.RDKFuncs
 
MolDataStreamToMol(SWIGTYPE_p_std__istream, SWIGTYPE_p_unsigned_int, boolean) - Static method in class org.RDKit.RDKFuncs
 
MolDataStreamToMol(SWIGTYPE_p_std__istream, SWIGTYPE_p_unsigned_int) - Static method in class org.RDKit.RDKFuncs
 
MolDataStreamToMol__SWIG_0(long, long, boolean, boolean, boolean) - Static method in class org.RDKit.RDKFuncsJNI
 
MolDataStreamToMol__SWIG_1(long, long, boolean, boolean) - Static method in class org.RDKit.RDKFuncsJNI
 
MolDataStreamToMol__SWIG_2(long, long, boolean) - Static method in class org.RDKit.RDKFuncsJNI
 
MolDataStreamToMol__SWIG_3(long, long) - Static method in class org.RDKit.RDKFuncsJNI
 
MolDraw2D - Class in org.RDKit
 
MolDraw2D(long, boolean) - Constructor for class org.RDKit.MolDraw2D
 
MolDraw2D.OrientType - Enum in org.RDKit
 
MolDraw2D.TextDrawType - Enum in org.RDKit
 
MolDraw2D_atomCoords(long, MolDraw2D) - Static method in class org.RDKit.RDKFuncsJNI
 
MolDraw2D_atomSyms(long, MolDraw2D) - Static method in class org.RDKit.RDKFuncsJNI
 
MolDraw2D_C_get() - Static method in class org.RDKit.RDKFuncsJNI
 
MolDraw2D_calculateScale__SWIG_0(long, MolDraw2D, int, int, long, Int_Vect, long, Int_Double_Map) - Static method in class org.RDKit.RDKFuncsJNI
 
MolDraw2D_calculateScale__SWIG_1(long, MolDraw2D, int, int, long, Int_Vect) - Static method in class org.RDKit.RDKFuncsJNI
 
MolDraw2D_calculateScale__SWIG_2(long, MolDraw2D, int, int) - Static method in class org.RDKit.RDKFuncsJNI
 
MolDraw2D_calculateScale__SWIG_3(long, MolDraw2D) - Static method in class org.RDKit.RDKFuncsJNI
 
MolDraw2D_clearDrawing(long, MolDraw2D) - Static method in class org.RDKit.RDKFuncsJNI
 
MolDraw2D_colour(long, MolDraw2D) - Static method in class org.RDKit.RDKFuncsJNI
 
MolDraw2D_dash(long, MolDraw2D) - Static method in class org.RDKit.RDKFuncsJNI
 
MolDraw2D_drawArrow__SWIG_0(long, MolDraw2D, long, Point2D, long, Point2D, boolean, double, double) - Static method in class org.RDKit.RDKFuncsJNI
 
MolDraw2D_drawArrow__SWIG_1(long, MolDraw2D, long, Point2D, long, Point2D, boolean, double) - Static method in class org.RDKit.RDKFuncsJNI
 
MolDraw2D_drawArrow__SWIG_2(long, MolDraw2D, long, Point2D, long, Point2D, boolean) - Static method in class org.RDKit.RDKFuncsJNI
 
MolDraw2D_drawArrow__SWIG_3(long, MolDraw2D, long, Point2D, long, Point2D) - Static method in class org.RDKit.RDKFuncsJNI
 
MolDraw2D_drawAttachmentLine__SWIG_0(long, MolDraw2D, long, Point2D, long, Point2D, long, DrawColour, double, long) - Static method in class org.RDKit.RDKFuncsJNI
 
MolDraw2D_drawAttachmentLine__SWIG_1(long, MolDraw2D, long, Point2D, long, Point2D, long, DrawColour, double) - Static method in class org.RDKit.RDKFuncsJNI
 
MolDraw2D_drawAttachmentLine__SWIG_2(long, MolDraw2D, long, Point2D, long, Point2D, long, DrawColour) - Static method in class org.RDKit.RDKFuncsJNI
 
MolDraw2D_drawEllipse(long, MolDraw2D, long, Point2D, long, Point2D) - Static method in class org.RDKit.RDKFuncsJNI
 
MolDraw2D_drawLine(long, MolDraw2D, long, Point2D, long, Point2D) - Static method in class org.RDKit.RDKFuncsJNI
 
MolDraw2D_drawMolecule__SWIG_0(long, MolDraw2D, long, ROMol, String, long, Int_Vect, long, Int_Vect, long, ColourPalette, long, ColourPalette, long, Int_Double_Map, int) - Static method in class org.RDKit.RDKFuncsJNI
 
MolDraw2D_drawMolecule__SWIG_1(long, MolDraw2D, long, ROMol, String, long, Int_Vect, long, Int_Vect, long, ColourPalette, long, ColourPalette, long, Int_Double_Map) - Static method in class org.RDKit.RDKFuncsJNI
 
MolDraw2D_drawMolecule__SWIG_10(long, MolDraw2D, long, ROMol, String, long, Int_Vect, long, ColourPalette, long, Int_Double_Map, int) - Static method in class org.RDKit.RDKFuncsJNI
 
MolDraw2D_drawMolecule__SWIG_11(long, MolDraw2D, long, ROMol, String, long, Int_Vect, long, ColourPalette, long, Int_Double_Map) - Static method in class org.RDKit.RDKFuncsJNI
 
MolDraw2D_drawMolecule__SWIG_12(long, MolDraw2D, long, ROMol, String, long, Int_Vect, long, ColourPalette) - Static method in class org.RDKit.RDKFuncsJNI
 
MolDraw2D_drawMolecule__SWIG_13(long, MolDraw2D, long, ROMol, String, long, Int_Vect) - Static method in class org.RDKit.RDKFuncsJNI
 
MolDraw2D_drawMolecule__SWIG_14(long, MolDraw2D, long, ROMol, String) - Static method in class org.RDKit.RDKFuncsJNI
 
MolDraw2D_drawMolecule__SWIG_15(long, MolDraw2D, long, ROMol, long, Int_Vect, long, Int_Vect, long, ColourPalette, long, ColourPalette, long, Int_Double_Map, int) - Static method in class org.RDKit.RDKFuncsJNI
 
MolDraw2D_drawMolecule__SWIG_16(long, MolDraw2D, long, ROMol, long, Int_Vect, long, Int_Vect, long, ColourPalette, long, ColourPalette, long, Int_Double_Map) - Static method in class org.RDKit.RDKFuncsJNI
 
MolDraw2D_drawMolecule__SWIG_17(long, MolDraw2D, long, ROMol, long, Int_Vect, long, Int_Vect, long, ColourPalette, long, ColourPalette) - Static method in class org.RDKit.RDKFuncsJNI
 
MolDraw2D_drawMolecule__SWIG_18(long, MolDraw2D, long, ROMol, long, Int_Vect, long, Int_Vect, long, ColourPalette) - Static method in class org.RDKit.RDKFuncsJNI
 
MolDraw2D_drawMolecule__SWIG_19(long, MolDraw2D, long, ROMol, long, Int_Vect, long, Int_Vect) - Static method in class org.RDKit.RDKFuncsJNI
 
MolDraw2D_drawMolecule__SWIG_2(long, MolDraw2D, long, ROMol, String, long, Int_Vect, long, Int_Vect, long, ColourPalette, long, ColourPalette) - Static method in class org.RDKit.RDKFuncsJNI
 
MolDraw2D_drawMolecule__SWIG_3(long, MolDraw2D, long, ROMol, String, long, Int_Vect, long, Int_Vect, long, ColourPalette) - Static method in class org.RDKit.RDKFuncsJNI
 
MolDraw2D_drawMolecule__SWIG_4(long, MolDraw2D, long, ROMol, String, long, Int_Vect, long, Int_Vect) - Static method in class org.RDKit.RDKFuncsJNI
 
MolDraw2D_drawMolecule__SWIG_5(long, MolDraw2D, long, ROMol, long, Int_Vect, long, ColourPalette, long, Int_Double_Map, int) - Static method in class org.RDKit.RDKFuncsJNI
 
MolDraw2D_drawMolecule__SWIG_6(long, MolDraw2D, long, ROMol, long, Int_Vect, long, ColourPalette, long, Int_Double_Map) - Static method in class org.RDKit.RDKFuncsJNI
 
MolDraw2D_drawMolecule__SWIG_7(long, MolDraw2D, long, ROMol, long, Int_Vect, long, ColourPalette) - Static method in class org.RDKit.RDKFuncsJNI
 
MolDraw2D_drawMolecule__SWIG_8(long, MolDraw2D, long, ROMol, long, Int_Vect) - Static method in class org.RDKit.RDKFuncsJNI
 
MolDraw2D_drawMolecule__SWIG_9(long, MolDraw2D, long, ROMol) - Static method in class org.RDKit.RDKFuncsJNI
 
MolDraw2D_drawMolecules__SWIG_0(long, MolDraw2D, long, long, Str_Vect, long, Int_Vect_Vect, long, Int_Vect_Vect, long, long, long, long, Int_Vect) - Static method in class org.RDKit.RDKFuncsJNI
 
MolDraw2D_drawMolecules__SWIG_1(long, MolDraw2D, long, long, Str_Vect, long, Int_Vect_Vect, long, Int_Vect_Vect, long, long, long) - Static method in class org.RDKit.RDKFuncsJNI
 
MolDraw2D_drawMolecules__SWIG_2(long, MolDraw2D, long, long, Str_Vect, long, Int_Vect_Vect, long, Int_Vect_Vect, long, long) - Static method in class org.RDKit.RDKFuncsJNI
 
MolDraw2D_drawMolecules__SWIG_3(long, MolDraw2D, long, long, Str_Vect, long, Int_Vect_Vect, long, Int_Vect_Vect, long) - Static method in class org.RDKit.RDKFuncsJNI
 
MolDraw2D_drawMolecules__SWIG_4(long, MolDraw2D, long, long, Str_Vect, long, Int_Vect_Vect, long, Int_Vect_Vect) - Static method in class org.RDKit.RDKFuncsJNI
 
MolDraw2D_drawMolecules__SWIG_5(long, MolDraw2D, long, long, Str_Vect, long, Int_Vect_Vect) - Static method in class org.RDKit.RDKFuncsJNI
 
MolDraw2D_drawMolecules__SWIG_6(long, MolDraw2D, long, long, Str_Vect) - Static method in class org.RDKit.RDKFuncsJNI
 
MolDraw2D_drawMolecules__SWIG_7(long, MolDraw2D, long) - Static method in class org.RDKit.RDKFuncsJNI
 
MolDraw2D_drawOptions__SWIG_0(long, MolDraw2D) - Static method in class org.RDKit.RDKFuncsJNI
 
MolDraw2D_drawPolygon(long, MolDraw2D, long) - Static method in class org.RDKit.RDKFuncsJNI
 
MolDraw2D_drawReaction__SWIG_0(long, MolDraw2D, long, ChemicalReaction, boolean, long, long, Int_Vect) - Static method in class org.RDKit.RDKFuncsJNI
 
MolDraw2D_drawReaction__SWIG_1(long, MolDraw2D, long, ChemicalReaction, boolean, long) - Static method in class org.RDKit.RDKFuncsJNI
 
MolDraw2D_drawReaction__SWIG_2(long, MolDraw2D, long, ChemicalReaction, boolean) - Static method in class org.RDKit.RDKFuncsJNI
 
MolDraw2D_drawReaction__SWIG_3(long, MolDraw2D, long, ChemicalReaction) - Static method in class org.RDKit.RDKFuncsJNI
 
MolDraw2D_drawRect(long, MolDraw2D, long, Point2D, long, Point2D) - Static method in class org.RDKit.RDKFuncsJNI
 
MolDraw2D_drawString(long, MolDraw2D, String, long, Point2D) - Static method in class org.RDKit.RDKFuncsJNI
 
MolDraw2D_drawTriangle(long, MolDraw2D, long, Point2D, long, Point2D, long, Point2D) - Static method in class org.RDKit.RDKFuncsJNI
 
MolDraw2D_drawWavyLine__SWIG_0(long, MolDraw2D, long, Point2D, long, Point2D, long, DrawColour, long, DrawColour, long, double) - Static method in class org.RDKit.RDKFuncsJNI
 
MolDraw2D_drawWavyLine__SWIG_1(long, MolDraw2D, long, Point2D, long, Point2D, long, DrawColour, long, DrawColour, long) - Static method in class org.RDKit.RDKFuncsJNI
 
MolDraw2D_drawWavyLine__SWIG_2(long, MolDraw2D, long, Point2D, long, Point2D, long, DrawColour, long, DrawColour) - Static method in class org.RDKit.RDKFuncsJNI
 
MolDraw2D_fillPolys(long, MolDraw2D) - Static method in class org.RDKit.RDKFuncsJNI
 
MolDraw2D_fontSize(long, MolDraw2D) - Static method in class org.RDKit.RDKFuncsJNI
 
MolDraw2D_getAtomCoords__SWIG_0(long, MolDraw2D, long, Int_Pair) - Static method in class org.RDKit.RDKFuncsJNI
 
MolDraw2D_getAtomCoords__SWIG_1(long, MolDraw2D, long, Double_Pair) - Static method in class org.RDKit.RDKFuncsJNI
 
MolDraw2D_getAtomCoords__SWIG_2(long, MolDraw2D, int) - Static method in class org.RDKit.RDKFuncsJNI
 
MolDraw2D_getDrawCoords__SWIG_0(long, MolDraw2D, long, Point2D) - Static method in class org.RDKit.RDKFuncsJNI
 
MolDraw2D_getDrawCoords__SWIG_1(long, MolDraw2D, int) - Static method in class org.RDKit.RDKFuncsJNI
 
MolDraw2D_getStringSize(long, MolDraw2D, String, long, long) - Static method in class org.RDKit.RDKFuncsJNI
 
MolDraw2D_height(long, MolDraw2D) - Static method in class org.RDKit.RDKFuncsJNI
 
MolDraw2D_lineWidth(long, MolDraw2D) - Static method in class org.RDKit.RDKFuncsJNI
 
MolDraw2D_minPt(long, MolDraw2D) - Static method in class org.RDKit.RDKFuncsJNI
 
MolDraw2D_offset(long, MolDraw2D) - Static method in class org.RDKit.RDKFuncsJNI
 
MolDraw2D_panelHeight(long, MolDraw2D) - Static method in class org.RDKit.RDKFuncsJNI
 
MolDraw2D_panelWidth(long, MolDraw2D) - Static method in class org.RDKit.RDKFuncsJNI
 
MolDraw2D_range(long, MolDraw2D) - Static method in class org.RDKit.RDKFuncsJNI
 
MolDraw2D_scale(long, MolDraw2D) - Static method in class org.RDKit.RDKFuncsJNI
 
MolDraw2D_setColour(long, MolDraw2D, long, DrawColour) - Static method in class org.RDKit.RDKFuncsJNI
 
MolDraw2D_setDash(long, MolDraw2D, long, UInt_Vect) - Static method in class org.RDKit.RDKFuncsJNI
 
MolDraw2D_setFillPolys(long, MolDraw2D, boolean) - Static method in class org.RDKit.RDKFuncsJNI
 
MolDraw2D_setFontSize(long, MolDraw2D, double) - Static method in class org.RDKit.RDKFuncsJNI
 
MolDraw2D_setLineWidth(long, MolDraw2D, int) - Static method in class org.RDKit.RDKFuncsJNI
 
MolDraw2D_setOffset(long, MolDraw2D, int, int) - Static method in class org.RDKit.RDKFuncsJNI
 
MolDraw2D_setScale(long, MolDraw2D, int, int, long, Point2D, long, Point2D) - Static method in class org.RDKit.RDKFuncsJNI
 
MolDraw2D_setStringDrawMode(long, MolDraw2D, String, long, long) - Static method in class org.RDKit.RDKFuncsJNI
 
MolDraw2D_tagAtoms(long, MolDraw2D, long, ROMol) - Static method in class org.RDKit.RDKFuncsJNI
 
MolDraw2D_TextDrawNormal_get() - Static method in class org.RDKit.RDKFuncsJNI
 
MolDraw2D_width(long, MolDraw2D) - Static method in class org.RDKit.RDKFuncsJNI
 
MolDraw2DSVG - Class in org.RDKit
 
MolDraw2DSVG(long, boolean) - Constructor for class org.RDKit.MolDraw2DSVG
 
MolDraw2DSVG(int, int, SWIGTYPE_p_std__ostream, int, int) - Constructor for class org.RDKit.MolDraw2DSVG
 
MolDraw2DSVG(int, int, SWIGTYPE_p_std__ostream, int) - Constructor for class org.RDKit.MolDraw2DSVG
 
MolDraw2DSVG(int, int, int, int) - Constructor for class org.RDKit.MolDraw2DSVG
 
MolDraw2DSVG(int, int, int) - Constructor for class org.RDKit.MolDraw2DSVG
 
MolDraw2DSVG(int, int) - Constructor for class org.RDKit.MolDraw2DSVG
 
MolDraw2DSVG_addMoleculeMetadata__SWIG_0(long, MolDraw2DSVG, long, ROMol, int) - Static method in class org.RDKit.RDKFuncsJNI
 
MolDraw2DSVG_addMoleculeMetadata__SWIG_1(long, MolDraw2DSVG, long, ROMol) - Static method in class org.RDKit.RDKFuncsJNI
 
MolDraw2DSVG_addMoleculeMetadata__SWIG_2(long, MolDraw2DSVG, long, long, Int_Vect) - Static method in class org.RDKit.RDKFuncsJNI
 
MolDraw2DSVG_addMoleculeMetadata__SWIG_3(long, MolDraw2DSVG, long) - Static method in class org.RDKit.RDKFuncsJNI
 
MolDraw2DSVG_clearDrawing(long, MolDraw2DSVG) - Static method in class org.RDKit.RDKFuncsJNI
 
MolDraw2DSVG_drawEllipse(long, MolDraw2DSVG, long, Point2D, long, Point2D) - Static method in class org.RDKit.RDKFuncsJNI
 
MolDraw2DSVG_drawLine(long, MolDraw2DSVG, long, Point2D, long, Point2D) - Static method in class org.RDKit.RDKFuncsJNI
 
MolDraw2DSVG_drawPolygon(long, MolDraw2DSVG, long) - Static method in class org.RDKit.RDKFuncsJNI
 
MolDraw2DSVG_drawString(long, MolDraw2DSVG, String, long, Point2D) - Static method in class org.RDKit.RDKFuncsJNI
 
MolDraw2DSVG_drawWavyLine__SWIG_0(long, MolDraw2DSVG, long, Point2D, long, Point2D, long, DrawColour, long, DrawColour, long, double) - Static method in class org.RDKit.RDKFuncsJNI
 
MolDraw2DSVG_drawWavyLine__SWIG_1(long, MolDraw2DSVG, long, Point2D, long, Point2D, long, DrawColour, long, DrawColour, long) - Static method in class org.RDKit.RDKFuncsJNI
 
MolDraw2DSVG_drawWavyLine__SWIG_2(long, MolDraw2DSVG, long, Point2D, long, Point2D, long, DrawColour, long, DrawColour) - Static method in class org.RDKit.RDKFuncsJNI
 
MolDraw2DSVG_finishDrawing(long, MolDraw2DSVG) - Static method in class org.RDKit.RDKFuncsJNI
 
MolDraw2DSVG_getDrawingText(long, MolDraw2DSVG) - Static method in class org.RDKit.RDKFuncsJNI
 
MolDraw2DSVG_getStringSize(long, MolDraw2DSVG, String, long, long) - Static method in class org.RDKit.RDKFuncsJNI
 
MolDraw2DSVG_setColour(long, MolDraw2DSVG, long, DrawColour) - Static method in class org.RDKit.RDKFuncsJNI
 
MolDraw2DSVG_setFontSize(long, MolDraw2DSVG, double) - Static method in class org.RDKit.RDKFuncsJNI
 
MolDraw2DSVG_SWIGUpcast(long) - Static method in class org.RDKit.RDKFuncsJNI
 
MolDraw2DSVG_tagAtoms__SWIG_0_0(long, MolDraw2DSVG, long, ROMol) - Static method in class org.RDKit.RDKFuncsJNI
 
MolDraw2DSVG_tagAtoms__SWIG_2(long, MolDraw2DSVG, long, ROMol, double, long, String_String_Map) - Static method in class org.RDKit.RDKFuncsJNI
 
MolDraw2DSVG_tagAtoms__SWIG_3(long, MolDraw2DSVG, long, ROMol, double) - Static method in class org.RDKit.RDKFuncsJNI
 
MolDrawOptions - Class in org.RDKit
 
MolDrawOptions(long, boolean) - Constructor for class org.RDKit.MolDrawOptions
 
MolDrawOptions() - Constructor for class org.RDKit.MolDrawOptions
 
MolDrawOptions_additionalAtomLabelPadding_get(long, MolDrawOptions) - Static method in class org.RDKit.RDKFuncsJNI
 
MolDrawOptions_additionalAtomLabelPadding_set(long, MolDrawOptions, double) - Static method in class org.RDKit.RDKFuncsJNI
 
MolDrawOptions_atomColourPalette_get(long, MolDrawOptions) - Static method in class org.RDKit.RDKFuncsJNI
 
MolDrawOptions_atomColourPalette_set(long, MolDrawOptions, long, ColourPalette) - Static method in class org.RDKit.RDKFuncsJNI
 
MolDrawOptions_atomLabelDeuteriumTritium_get(long, MolDrawOptions) - Static method in class org.RDKit.RDKFuncsJNI
 
MolDrawOptions_atomLabelDeuteriumTritium_set(long, MolDrawOptions, boolean) - Static method in class org.RDKit.RDKFuncsJNI
 
MolDrawOptions_atomLabels_get(long, MolDrawOptions) - Static method in class org.RDKit.RDKFuncsJNI
 
MolDrawOptions_atomLabels_set(long, MolDrawOptions, long, Int_String_Map) - Static method in class org.RDKit.RDKFuncsJNI
 
MolDrawOptions_atomRegions_get(long, MolDrawOptions) - Static method in class org.RDKit.RDKFuncsJNI
 
MolDrawOptions_atomRegions_set(long, MolDrawOptions, long, Int_Vect_Vect) - Static method in class org.RDKit.RDKFuncsJNI
 
MolDrawOptions_backgroundColour_get(long, MolDrawOptions) - Static method in class org.RDKit.RDKFuncsJNI
 
MolDrawOptions_backgroundColour_set(long, MolDrawOptions, long, DrawColour) - Static method in class org.RDKit.RDKFuncsJNI
 
MolDrawOptions_bondLineWidth_get(long, MolDrawOptions) - Static method in class org.RDKit.RDKFuncsJNI
 
MolDrawOptions_bondLineWidth_set(long, MolDrawOptions, int) - Static method in class org.RDKit.RDKFuncsJNI
 
MolDrawOptions_circleAtoms_get(long, MolDrawOptions) - Static method in class org.RDKit.RDKFuncsJNI
 
MolDrawOptions_circleAtoms_set(long, MolDrawOptions, boolean) - Static method in class org.RDKit.RDKFuncsJNI
 
MolDrawOptions_clearBackground_get(long, MolDrawOptions) - Static method in class org.RDKit.RDKFuncsJNI
 
MolDrawOptions_clearBackground_set(long, MolDrawOptions, boolean) - Static method in class org.RDKit.RDKFuncsJNI
 
MolDrawOptions_continuousHighlight_get(long, MolDrawOptions) - Static method in class org.RDKit.RDKFuncsJNI
 
MolDrawOptions_continuousHighlight_set(long, MolDrawOptions, boolean) - Static method in class org.RDKit.RDKFuncsJNI
 
MolDrawOptions_dummiesAreAttachments_get(long, MolDrawOptions) - Static method in class org.RDKit.RDKFuncsJNI
 
MolDrawOptions_dummiesAreAttachments_set(long, MolDrawOptions, boolean) - Static method in class org.RDKit.RDKFuncsJNI
 
MolDrawOptions_fillHighlights_get(long, MolDrawOptions) - Static method in class org.RDKit.RDKFuncsJNI
 
MolDrawOptions_fillHighlights_set(long, MolDrawOptions, boolean) - Static method in class org.RDKit.RDKFuncsJNI
 
MolDrawOptions_flagCloseContactsDist_get(long, MolDrawOptions) - Static method in class org.RDKit.RDKFuncsJNI
 
MolDrawOptions_flagCloseContactsDist_set(long, MolDrawOptions, int) - Static method in class org.RDKit.RDKFuncsJNI
 
MolDrawOptions_highlightColour_get(long, MolDrawOptions) - Static method in class org.RDKit.RDKFuncsJNI
 
MolDrawOptions_highlightColour_set(long, MolDrawOptions, long, DrawColour) - Static method in class org.RDKit.RDKFuncsJNI
 
MolDrawOptions_highlightColourPalette_get(long, MolDrawOptions) - Static method in class org.RDKit.RDKFuncsJNI
 
MolDrawOptions_highlightColourPalette_set(long, MolDrawOptions, long) - Static method in class org.RDKit.RDKFuncsJNI
 
MolDrawOptions_includeAtomTags_get(long, MolDrawOptions) - Static method in class org.RDKit.RDKFuncsJNI
 
MolDrawOptions_includeAtomTags_set(long, MolDrawOptions, boolean) - Static method in class org.RDKit.RDKFuncsJNI
 
MolDrawOptions_legendColour_get(long, MolDrawOptions) - Static method in class org.RDKit.RDKFuncsJNI
 
MolDrawOptions_legendColour_set(long, MolDrawOptions, long, DrawColour) - Static method in class org.RDKit.RDKFuncsJNI
 
MolDrawOptions_legendFontSize_get(long, MolDrawOptions) - Static method in class org.RDKit.RDKFuncsJNI
 
MolDrawOptions_legendFontSize_set(long, MolDrawOptions, int) - Static method in class org.RDKit.RDKFuncsJNI
 
MolDrawOptions_multipleBondOffset_get(long, MolDrawOptions) - Static method in class org.RDKit.RDKFuncsJNI
 
MolDrawOptions_multipleBondOffset_set(long, MolDrawOptions, double) - Static method in class org.RDKit.RDKFuncsJNI
 
MolDrawOptions_padding_get(long, MolDrawOptions) - Static method in class org.RDKit.RDKFuncsJNI
 
MolDrawOptions_padding_set(long, MolDrawOptions, double) - Static method in class org.RDKit.RDKFuncsJNI
 
MolDrawOptions_prepareMolsBeforeDrawing_get(long, MolDrawOptions) - Static method in class org.RDKit.RDKFuncsJNI
 
MolDrawOptions_prepareMolsBeforeDrawing_set(long, MolDrawOptions, boolean) - Static method in class org.RDKit.RDKFuncsJNI
 
MolDrawOptions_symbolColour_get(long, MolDrawOptions) - Static method in class org.RDKit.RDKFuncsJNI
 
MolDrawOptions_symbolColour_set(long, MolDrawOptions, long, DrawColour) - Static method in class org.RDKit.RDKFuncsJNI
 
MOLFILE_MAXLINE_get() - Static method in class org.RDKit.RDKFuncsJNI
 
molFileAlias_get() - Static method in class org.RDKit.RDKFuncsJNI
 
MolFileComments_get() - Static method in class org.RDKit.RDKFuncsJNI
 
MolFileInfo_get() - Static method in class org.RDKit.RDKFuncsJNI
 
MolFileToMol(String, boolean, boolean, boolean) - Static method in class org.RDKit.RDKFuncs
 
MolFileToMol(String, boolean, boolean) - Static method in class org.RDKit.RDKFuncs
 
MolFileToMol(String, boolean) - Static method in class org.RDKit.RDKFuncs
 
MolFileToMol(String) - Static method in class org.RDKit.RDKFuncs
 
MolFileToMol__SWIG_0(String, boolean, boolean, boolean) - Static method in class org.RDKit.RDKFuncsJNI
 
MolFileToMol__SWIG_1(String, boolean, boolean) - Static method in class org.RDKit.RDKFuncsJNI
 
MolFileToMol__SWIG_2(String, boolean) - Static method in class org.RDKit.RDKFuncsJNI
 
MolFileToMol__SWIG_3(String) - Static method in class org.RDKit.RDKFuncsJNI
 
MolFileUnhandledFeatureException - Class in org.RDKit
 
MolFileUnhandledFeatureException(long, boolean) - Constructor for class org.RDKit.MolFileUnhandledFeatureException
 
MolFileUnhandledFeatureException(String) - Constructor for class org.RDKit.MolFileUnhandledFeatureException
 
MolFileUnhandledFeatureException_message(long, MolFileUnhandledFeatureException) - Static method in class org.RDKit.RDKFuncsJNI
 
molFileValue_get() - Static method in class org.RDKit.RDKFuncsJNI
 
MolFragmentToCXSmiles(ROMol, Int_Vect, Int_Vect, Str_Vect, Str_Vect, boolean, boolean, int, boolean, boolean, boolean) - Static method in class org.RDKit.RDKFuncs
 
MolFragmentToCXSmiles(ROMol, Int_Vect, Int_Vect, Str_Vect, Str_Vect, boolean, boolean, int, boolean, boolean) - Static method in class org.RDKit.RDKFuncs
 
MolFragmentToCXSmiles(ROMol, Int_Vect, Int_Vect, Str_Vect, Str_Vect, boolean, boolean, int, boolean) - Static method in class org.RDKit.RDKFuncs
 
MolFragmentToCXSmiles(ROMol, Int_Vect, Int_Vect, Str_Vect, Str_Vect, boolean, boolean, int) - Static method in class org.RDKit.RDKFuncs
 
MolFragmentToCXSmiles(ROMol, Int_Vect, Int_Vect, Str_Vect, Str_Vect, boolean, boolean) - Static method in class org.RDKit.RDKFuncs
 
MolFragmentToCXSmiles(ROMol, Int_Vect, Int_Vect, Str_Vect, Str_Vect, boolean) - Static method in class org.RDKit.RDKFuncs
 
MolFragmentToCXSmiles(ROMol, Int_Vect, Int_Vect, Str_Vect, Str_Vect) - Static method in class org.RDKit.RDKFuncs
 
MolFragmentToCXSmiles(ROMol, Int_Vect, Int_Vect, Str_Vect) - Static method in class org.RDKit.RDKFuncs
 
MolFragmentToCXSmiles(ROMol, Int_Vect, Int_Vect) - Static method in class org.RDKit.RDKFuncs
 
MolFragmentToCXSmiles(ROMol, Int_Vect) - Static method in class org.RDKit.RDKFuncs
 
MolFragmentToCXSmiles__SWIG_0(long, ROMol, long, Int_Vect, long, Int_Vect, long, Str_Vect, long, Str_Vect, boolean, boolean, int, boolean, boolean, boolean) - Static method in class org.RDKit.RDKFuncsJNI
 
MolFragmentToCXSmiles__SWIG_1(long, ROMol, long, Int_Vect, long, Int_Vect, long, Str_Vect, long, Str_Vect, boolean, boolean, int, boolean, boolean) - Static method in class org.RDKit.RDKFuncsJNI
 
MolFragmentToCXSmiles__SWIG_2(long, ROMol, long, Int_Vect, long, Int_Vect, long, Str_Vect, long, Str_Vect, boolean, boolean, int, boolean) - Static method in class org.RDKit.RDKFuncsJNI
 
MolFragmentToCXSmiles__SWIG_3(long, ROMol, long, Int_Vect, long, Int_Vect, long, Str_Vect, long, Str_Vect, boolean, boolean, int) - Static method in class org.RDKit.RDKFuncsJNI
 
MolFragmentToCXSmiles__SWIG_4(long, ROMol, long, Int_Vect, long, Int_Vect, long, Str_Vect, long, Str_Vect, boolean, boolean) - Static method in class org.RDKit.RDKFuncsJNI
 
MolFragmentToCXSmiles__SWIG_5(long, ROMol, long, Int_Vect, long, Int_Vect, long, Str_Vect, long, Str_Vect, boolean) - Static method in class org.RDKit.RDKFuncsJNI
 
MolFragmentToCXSmiles__SWIG_6(long, ROMol, long, Int_Vect, long, Int_Vect, long, Str_Vect, long, Str_Vect) - Static method in class org.RDKit.RDKFuncsJNI
 
MolFragmentToCXSmiles__SWIG_7(long, ROMol, long, Int_Vect, long, Int_Vect, long, Str_Vect) - Static method in class org.RDKit.RDKFuncsJNI
 
MolFragmentToCXSmiles__SWIG_8(long, ROMol, long, Int_Vect, long, Int_Vect) - Static method in class org.RDKit.RDKFuncsJNI
 
MolFragmentToCXSmiles__SWIG_9(long, ROMol, long, Int_Vect) - Static method in class org.RDKit.RDKFuncsJNI
 
MolFragmentToSmarts(ROMol, Int_Vect, Int_Vect, boolean) - Static method in class org.RDKit.RDKFuncs
 
MolFragmentToSmarts(ROMol, Int_Vect, Int_Vect) - Static method in class org.RDKit.RDKFuncs
 
MolFragmentToSmarts(ROMol, Int_Vect) - Static method in class org.RDKit.RDKFuncs
 
MolFragmentToSmarts__SWIG_0(long, ROMol, long, Int_Vect, long, Int_Vect, boolean) - Static method in class org.RDKit.RDKFuncsJNI
 
MolFragmentToSmarts__SWIG_1(long, ROMol, long, Int_Vect, long, Int_Vect) - Static method in class org.RDKit.RDKFuncsJNI
 
MolFragmentToSmarts__SWIG_2(long, ROMol, long, Int_Vect) - Static method in class org.RDKit.RDKFuncsJNI
 
MolFragmentToSmiles(ROMol, Int_Vect, Int_Vect, Str_Vect, Str_Vect, boolean, boolean, int, boolean, boolean, boolean) - Static method in class org.RDKit.RDKFuncs
 
MolFragmentToSmiles(ROMol, Int_Vect, Int_Vect, Str_Vect, Str_Vect, boolean, boolean, int, boolean, boolean) - Static method in class org.RDKit.RDKFuncs
 
MolFragmentToSmiles(ROMol, Int_Vect, Int_Vect, Str_Vect, Str_Vect, boolean, boolean, int, boolean) - Static method in class org.RDKit.RDKFuncs
 
MolFragmentToSmiles(ROMol, Int_Vect, Int_Vect, Str_Vect, Str_Vect, boolean, boolean, int) - Static method in class org.RDKit.RDKFuncs
 
MolFragmentToSmiles(ROMol, Int_Vect, Int_Vect, Str_Vect, Str_Vect, boolean, boolean) - Static method in class org.RDKit.RDKFuncs
 
MolFragmentToSmiles(ROMol, Int_Vect, Int_Vect, Str_Vect, Str_Vect, boolean) - Static method in class org.RDKit.RDKFuncs
 
MolFragmentToSmiles(ROMol, Int_Vect, Int_Vect, Str_Vect, Str_Vect) - Static method in class org.RDKit.RDKFuncs
 
MolFragmentToSmiles(ROMol, Int_Vect, Int_Vect, Str_Vect) - Static method in class org.RDKit.RDKFuncs
 
MolFragmentToSmiles(ROMol, Int_Vect, Int_Vect) - Static method in class org.RDKit.RDKFuncs
 
MolFragmentToSmiles(ROMol, Int_Vect) - Static method in class org.RDKit.RDKFuncs
 
MolFragmentToSmiles__SWIG_0(long, ROMol, long, Int_Vect, long, Int_Vect, long, Str_Vect, long, Str_Vect, boolean, boolean, int, boolean, boolean, boolean) - Static method in class org.RDKit.RDKFuncsJNI
 
MolFragmentToSmiles__SWIG_1(long, ROMol, long, Int_Vect, long, Int_Vect, long, Str_Vect, long, Str_Vect, boolean, boolean, int, boolean, boolean) - Static method in class org.RDKit.RDKFuncsJNI
 
MolFragmentToSmiles__SWIG_2(long, ROMol, long, Int_Vect, long, Int_Vect, long, Str_Vect, long, Str_Vect, boolean, boolean, int, boolean) - Static method in class org.RDKit.RDKFuncsJNI
 
MolFragmentToSmiles__SWIG_3(long, ROMol, long, Int_Vect, long, Int_Vect, long, Str_Vect, long, Str_Vect, boolean, boolean, int) - Static method in class org.RDKit.RDKFuncsJNI
 
MolFragmentToSmiles__SWIG_4(long, ROMol, long, Int_Vect, long, Int_Vect, long, Str_Vect, long, Str_Vect, boolean, boolean) - Static method in class org.RDKit.RDKFuncsJNI
 
MolFragmentToSmiles__SWIG_5(long, ROMol, long, Int_Vect, long, Int_Vect, long, Str_Vect, long, Str_Vect, boolean) - Static method in class org.RDKit.RDKFuncsJNI
 
MolFragmentToSmiles__SWIG_6(long, ROMol, long, Int_Vect, long, Int_Vect, long, Str_Vect, long, Str_Vect) - Static method in class org.RDKit.RDKFuncsJNI
 
MolFragmentToSmiles__SWIG_7(long, ROMol, long, Int_Vect, long, Int_Vect, long, Str_Vect) - Static method in class org.RDKit.RDKFuncsJNI
 
MolFragmentToSmiles__SWIG_8(long, ROMol, long, Int_Vect, long, Int_Vect) - Static method in class org.RDKit.RDKFuncsJNI
 
MolFragmentToSmiles__SWIG_9(long, ROMol, long, Int_Vect) - Static method in class org.RDKit.RDKFuncsJNI
 
MolFromBinary(Int_Vect) - Static method in class org.RDKit.ROMol
 
MolFromFASTA(String, boolean, int) - Static method in class org.RDKit.RWMol
 
MolFromFASTA(String, boolean) - Static method in class org.RDKit.RWMol
 
MolFromFASTA(String) - Static method in class org.RDKit.RWMol
 
MolFromHELM(String, boolean) - Static method in class org.RDKit.RWMol
 
MolFromHELM(String) - Static method in class org.RDKit.RWMol
 
MolFromMol2Block(String, boolean, boolean, Mol2Type, boolean) - Static method in class org.RDKit.RWMol
 
MolFromMol2Block(String, boolean, boolean, Mol2Type) - Static method in class org.RDKit.RWMol
 
MolFromMol2Block(String, boolean, boolean) - Static method in class org.RDKit.RWMol
 
MolFromMol2Block(String, boolean) - Static method in class org.RDKit.RWMol
 
MolFromMol2Block(String) - Static method in class org.RDKit.RWMol
 
MolFromMol2File(String, boolean, boolean, Mol2Type, boolean) - Static method in class org.RDKit.RWMol
 
MolFromMol2File(String, boolean, boolean, Mol2Type) - Static method in class org.RDKit.RWMol
 
MolFromMol2File(String, boolean, boolean) - Static method in class org.RDKit.RWMol
 
MolFromMol2File(String, boolean) - Static method in class org.RDKit.RWMol
 
MolFromMol2File(String) - Static method in class org.RDKit.RWMol
 
MolFromMolBlock(String, boolean, boolean) - Static method in class org.RDKit.RWMol
 
MolFromMolBlock(String, boolean) - Static method in class org.RDKit.RWMol
 
MolFromMolBlock(String) - Static method in class org.RDKit.RWMol
 
MolFromMolFile(String, boolean, boolean) - Static method in class org.RDKit.RWMol
 
MolFromMolFile(String, boolean) - Static method in class org.RDKit.RWMol
 
MolFromMolFile(String) - Static method in class org.RDKit.RWMol
 
MolFromPDBBlock(String, boolean, boolean, long, boolean) - Static method in class org.RDKit.RWMol
 
MolFromPDBBlock(String, boolean, boolean, long) - Static method in class org.RDKit.RWMol
 
MolFromPDBBlock(String, boolean, boolean) - Static method in class org.RDKit.RWMol
 
MolFromPDBBlock(String, boolean) - Static method in class org.RDKit.RWMol
 
MolFromPDBBlock(String) - Static method in class org.RDKit.RWMol
 
MolFromPDBFile(String, boolean, boolean, long, boolean) - Static method in class org.RDKit.RWMol
 
MolFromPDBFile(String, boolean, boolean, long) - Static method in class org.RDKit.RWMol
 
MolFromPDBFile(String, boolean, boolean) - Static method in class org.RDKit.RWMol
 
MolFromPDBFile(String, boolean) - Static method in class org.RDKit.RWMol
 
MolFromPDBFile(String) - Static method in class org.RDKit.RWMol
 
MolFromSequence(String, boolean, int) - Static method in class org.RDKit.RWMol
 
MolFromSequence(String, boolean) - Static method in class org.RDKit.RWMol
 
MolFromSequence(String) - Static method in class org.RDKit.RWMol
 
MolFromSmarts(String, int, boolean, String_String_Map) - Static method in class org.RDKit.RWMol
 
MolFromSmarts(String, int, boolean) - Static method in class org.RDKit.RWMol
 
MolFromSmarts(String, int) - Static method in class org.RDKit.RWMol
 
MolFromSmarts(String) - Static method in class org.RDKit.RWMol
 
MolFromSmiles(String, int, boolean, String_String_Map) - Static method in class org.RDKit.RWMol
 
MolFromSmiles(String, int, boolean) - Static method in class org.RDKit.RWMol
 
MolFromSmiles(String, int) - Static method in class org.RDKit.RWMol
 
MolFromSmiles(String) - Static method in class org.RDKit.RWMol
 
MolFromTPLFile(String, boolean, boolean) - Static method in class org.RDKit.RWMol
 
MolFromTPLFile(String, boolean) - Static method in class org.RDKit.RWMol
 
MolFromTPLFile(String) - Static method in class org.RDKit.RWMol
 
MolHash(RWMol, HashFunction) - Static method in class org.RDKit.RDKFuncs
 
MolHash(long, RWMol, int) - Static method in class org.RDKit.RDKFuncsJNI
 
MolHolder - Class in org.RDKit
 
MolHolder(long, boolean) - Constructor for class org.RDKit.MolHolder
 
MolHolder() - Constructor for class org.RDKit.MolHolder
 
MolHolder_addMol(long, MolHolder, long, ROMol) - Static method in class org.RDKit.RDKFuncsJNI
 
MolHolder_getMol(long, MolHolder, long) - Static method in class org.RDKit.RDKFuncsJNI
 
MolHolder_getMols__SWIG_0(long, MolHolder) - Static method in class org.RDKit.RDKFuncsJNI
 
MolHolder_size(long, MolHolder) - Static method in class org.RDKit.RDKFuncsJNI
 
MolHolder_SWIGSmartPtrUpcast(long) - Static method in class org.RDKit.RDKFuncsJNI
 
MolHolderBase - Class in org.RDKit
 
MolHolderBase(long, boolean) - Constructor for class org.RDKit.MolHolderBase
 
MolHolderBase_addMol(long, MolHolderBase, long, ROMol) - Static method in class org.RDKit.RDKFuncsJNI
 
MolHolderBase_getMol(long, MolHolderBase, long) - Static method in class org.RDKit.RDKFuncsJNI
 
MolHolderBase_size(long, MolHolderBase) - Static method in class org.RDKit.RDKFuncsJNI
 
molInversionFlag_get() - Static method in class org.RDKit.RDKFuncsJNI
 
molParity_get() - Static method in class org.RDKit.RDKFuncsJNI
 
MolPicklerException - Exception in org.RDKit
 
MolPicklerException(long, boolean) - Constructor for exception org.RDKit.MolPicklerException
 
MolPicklerException(String) - Constructor for exception org.RDKit.MolPicklerException
 
MolPicklerException_message(long, MolPicklerException) - Static method in class org.RDKit.RDKFuncsJNI
 
MolProps - Static variable in class org.RDKit.PropertyPickleOptions
 
MolProps_get() - Static method in class org.RDKit.RDKFuncsJNI
 
molRxnComponent_get() - Static method in class org.RDKit.RDKFuncsJNI
 
molRxnRole_get() - Static method in class org.RDKit.RDKFuncsJNI
 
MolSanitizeException - Exception in org.RDKit
 
MolSanitizeException(long, boolean) - Constructor for exception org.RDKit.MolSanitizeException
 
MolSanitizeException(String) - Constructor for exception org.RDKit.MolSanitizeException
 
MolSanitizeException(MolSanitizeException) - Constructor for exception org.RDKit.MolSanitizeException
 
MolSanitizeException_copy(long, MolSanitizeException) - Static method in class org.RDKit.RDKFuncsJNI
 
MolSanitizeException_getType(long, MolSanitizeException) - Static method in class org.RDKit.RDKFuncsJNI
 
MolSanitizeException_message(long, MolSanitizeException) - Static method in class org.RDKit.RDKFuncsJNI
 
MolSanitizeException_Vect - Class in org.RDKit
 
MolSanitizeException_Vect(long, boolean) - Constructor for class org.RDKit.MolSanitizeException_Vect
 
MolSanitizeException_Vect() - Constructor for class org.RDKit.MolSanitizeException_Vect
 
MolSanitizeException_Vect(long) - Constructor for class org.RDKit.MolSanitizeException_Vect
 
MolSanitizeException_Vect_add(long, MolSanitizeException_Vect, long, MolSanitizeException) - Static method in class org.RDKit.RDKFuncsJNI
 
MolSanitizeException_Vect_capacity(long, MolSanitizeException_Vect) - Static method in class org.RDKit.RDKFuncsJNI
 
MolSanitizeException_Vect_clear(long, MolSanitizeException_Vect) - Static method in class org.RDKit.RDKFuncsJNI
 
MolSanitizeException_Vect_equals(long, MolSanitizeException_Vect, long, MolSanitizeException_Vect) - Static method in class org.RDKit.RDKFuncsJNI
 
MolSanitizeException_Vect_get(long, MolSanitizeException_Vect, int) - Static method in class org.RDKit.RDKFuncsJNI
 
MolSanitizeException_Vect_isEmpty(long, MolSanitizeException_Vect) - Static method in class org.RDKit.RDKFuncsJNI
 
MolSanitizeException_Vect_reserve(long, MolSanitizeException_Vect, long) - Static method in class org.RDKit.RDKFuncsJNI
 
MolSanitizeException_Vect_set(long, MolSanitizeException_Vect, int, long, MolSanitizeException) - Static method in class org.RDKit.RDKFuncsJNI
 
MolSanitizeException_Vect_size(long, MolSanitizeException_Vect) - Static method in class org.RDKit.RDKFuncsJNI
 
MolStackElem - Class in org.RDKit
 
MolStackElem(long, boolean) - Constructor for class org.RDKit.MolStackElem
 
MolStackElem(Atom) - Constructor for class org.RDKit.MolStackElem
 
MolStackElem(Bond, int) - Constructor for class org.RDKit.MolStackElem
 
MolStackElem(int) - Constructor for class org.RDKit.MolStackElem
 
MolStackElem(String, int) - Constructor for class org.RDKit.MolStackElem
 
MolStackElem_number_get(long, MolStackElem) - Static method in class org.RDKit.RDKFuncsJNI
 
MolStackElem_number_set(long, MolStackElem, int) - Static method in class org.RDKit.RDKFuncsJNI
 
MolStackElem_obj_get(long, MolStackElem) - Static method in class org.RDKit.RDKFuncsJNI
 
MolStackElem_obj_set(long, MolStackElem, long, MolStackUnion) - Static method in class org.RDKit.RDKFuncsJNI
 
MolStackElem_type_get(long, MolStackElem) - Static method in class org.RDKit.RDKFuncsJNI
 
MolStackElem_type_set(long, MolStackElem, int) - Static method in class org.RDKit.RDKFuncsJNI
 
MolStackTypes - Enum in org.RDKit
 
MolStackUnion - Class in org.RDKit
 
MolStackUnion(long, boolean) - Constructor for class org.RDKit.MolStackUnion
 
MolStackUnion() - Constructor for class org.RDKit.MolStackUnion
 
MolStackUnion_atom_get(long, MolStackUnion) - Static method in class org.RDKit.RDKFuncsJNI
 
MolStackUnion_atom_set(long, MolStackUnion, long, Atom) - Static method in class org.RDKit.RDKFuncsJNI
 
MolStackUnion_bond_get(long, MolStackUnion) - Static method in class org.RDKit.RDKFuncsJNI
 
MolStackUnion_bond_set(long, MolStackUnion, long, Bond) - Static method in class org.RDKit.RDKFuncsJNI
 
MolSupplier - Class in org.RDKit
 
MolSupplier(long, boolean) - Constructor for class org.RDKit.MolSupplier
 
MolSupplier_atEnd(long, MolSupplier) - Static method in class org.RDKit.RDKFuncsJNI
 
MolSupplier_init(long, MolSupplier) - Static method in class org.RDKit.RDKFuncsJNI
 
MolSupplier_next(long, MolSupplier) - Static method in class org.RDKit.RDKFuncsJNI
 
MolSupplier_reset(long, MolSupplier) - Static method in class org.RDKit.RDKFuncsJNI
 
MolToCXSmiles(ROMol, boolean, boolean, int, boolean, boolean, boolean, boolean) - Static method in class org.RDKit.RDKFuncs
 
MolToCXSmiles(ROMol, boolean, boolean, int, boolean, boolean, boolean) - Static method in class org.RDKit.RDKFuncs
 
MolToCXSmiles(ROMol, boolean, boolean, int, boolean, boolean) - Static method in class org.RDKit.RDKFuncs
 
MolToCXSmiles(ROMol, boolean, boolean, int, boolean) - Static method in class org.RDKit.RDKFuncs
 
MolToCXSmiles(ROMol, boolean, boolean, int) - Static method in class org.RDKit.RDKFuncs
 
MolToCXSmiles(ROMol, boolean, boolean) - Static method in class org.RDKit.RDKFuncs
 
MolToCXSmiles(ROMol, boolean) - Static method in class org.RDKit.RDKFuncs
 
MolToCXSmiles(ROMol) - Static method in class org.RDKit.RDKFuncs
 
MolToCXSmiles__SWIG_0(long, ROMol, boolean, boolean, int, boolean, boolean, boolean, boolean) - Static method in class org.RDKit.RDKFuncsJNI
 
MolToCXSmiles__SWIG_1(long, ROMol, boolean, boolean, int, boolean, boolean, boolean) - Static method in class org.RDKit.RDKFuncsJNI
 
MolToCXSmiles__SWIG_2(long, ROMol, boolean, boolean, int, boolean, boolean) - Static method in class org.RDKit.RDKFuncsJNI
 
MolToCXSmiles__SWIG_3(long, ROMol, boolean, boolean, int, boolean) - Static method in class org.RDKit.RDKFuncsJNI
 
MolToCXSmiles__SWIG_4(long, ROMol, boolean, boolean, int) - Static method in class org.RDKit.RDKFuncsJNI
 
MolToCXSmiles__SWIG_5(long, ROMol, boolean, boolean) - Static method in class org.RDKit.RDKFuncsJNI
 
MolToCXSmiles__SWIG_6(long, ROMol, boolean) - Static method in class org.RDKit.RDKFuncsJNI
 
MolToCXSmiles__SWIG_7(long, ROMol) - Static method in class org.RDKit.RDKFuncsJNI
 
MolToFASTA() - Method in class org.RDKit.ROMol
 
MolToHELM() - Method in class org.RDKit.ROMol
 
MolToInchi(ROMol, ExtraInchiReturnValues, String) - Static method in class org.RDKit.RDKFuncs
 
MolToInchi(ROMol, ExtraInchiReturnValues) - Static method in class org.RDKit.RDKFuncs
 
MolToInchi__SWIG_0(long, ROMol, long, ExtraInchiReturnValues, String) - Static method in class org.RDKit.RDKFuncsJNI
 
MolToInchi__SWIG_1(long, ROMol, long, ExtraInchiReturnValues) - Static method in class org.RDKit.RDKFuncsJNI
 
MolToInchiKey(ROMol, String) - Static method in class org.RDKit.RDKFuncs
 
MolToInchiKey(ROMol) - Static method in class org.RDKit.RDKFuncs
 
MolToInchiKey__SWIG_0(long, ROMol, String) - Static method in class org.RDKit.RDKFuncsJNI
 
MolToInchiKey__SWIG_1(long, ROMol) - Static method in class org.RDKit.RDKFuncsJNI
 
MolToMolBlock(ROMol, boolean, int, boolean, boolean) - Static method in class org.RDKit.RDKFuncs
 
MolToMolBlock(ROMol, boolean, int, boolean) - Static method in class org.RDKit.RDKFuncs
 
MolToMolBlock(ROMol, boolean, int) - Static method in class org.RDKit.RDKFuncs
 
MolToMolBlock(ROMol, boolean) - Static method in class org.RDKit.RDKFuncs
 
MolToMolBlock(ROMol) - Static method in class org.RDKit.RDKFuncs
 
MolToMolBlock(boolean, int) - Method in class org.RDKit.ROMol
 
MolToMolBlock(boolean) - Method in class org.RDKit.ROMol
 
MolToMolBlock() - Method in class org.RDKit.ROMol
 
MolToMolBlock__SWIG_0(long, ROMol, boolean, int, boolean, boolean) - Static method in class org.RDKit.RDKFuncsJNI
 
MolToMolBlock__SWIG_1(long, ROMol, boolean, int, boolean) - Static method in class org.RDKit.RDKFuncsJNI
 
MolToMolBlock__SWIG_2(long, ROMol, boolean, int) - Static method in class org.RDKit.RDKFuncsJNI
 
MolToMolBlock__SWIG_3(long, ROMol, boolean) - Static method in class org.RDKit.RDKFuncsJNI
 
MolToMolBlock__SWIG_4(long, ROMol) - Static method in class org.RDKit.RDKFuncsJNI
 
MolToMolFile(ROMol, String, boolean, int, boolean, boolean) - Static method in class org.RDKit.RDKFuncs
 
MolToMolFile(ROMol, String, boolean, int, boolean) - Static method in class org.RDKit.RDKFuncs
 
MolToMolFile(ROMol, String, boolean, int) - Static method in class org.RDKit.RDKFuncs
 
MolToMolFile(ROMol, String, boolean) - Static method in class org.RDKit.RDKFuncs
 
MolToMolFile(ROMol, String) - Static method in class org.RDKit.RDKFuncs
 
MolToMolFile(String, boolean, int, boolean) - Method in class org.RDKit.ROMol
 
MolToMolFile(String, boolean, int) - Method in class org.RDKit.ROMol
 
MolToMolFile(String, boolean) - Method in class org.RDKit.ROMol
 
MolToMolFile(String) - Method in class org.RDKit.ROMol
 
MolToMolFile__SWIG_0(long, ROMol, String, boolean, int, boolean, boolean) - Static method in class org.RDKit.RDKFuncsJNI
 
MolToMolFile__SWIG_1(long, ROMol, String, boolean, int, boolean) - Static method in class org.RDKit.RDKFuncsJNI
 
MolToMolFile__SWIG_2(long, ROMol, String, boolean, int) - Static method in class org.RDKit.RDKFuncsJNI
 
MolToMolFile__SWIG_3(long, ROMol, String, boolean) - Static method in class org.RDKit.RDKFuncsJNI
 
MolToMolFile__SWIG_4(long, ROMol, String) - Static method in class org.RDKit.RDKFuncsJNI
 
MolToPDBBlock(ROMol, int, long) - Static method in class org.RDKit.RDKFuncs
 
MolToPDBBlock(ROMol, int) - Static method in class org.RDKit.RDKFuncs
 
MolToPDBBlock(ROMol) - Static method in class org.RDKit.RDKFuncs
 
MolToPDBBlock(int, long) - Method in class org.RDKit.ROMol
 
MolToPDBBlock(int) - Method in class org.RDKit.ROMol
 
MolToPDBBlock() - Method in class org.RDKit.ROMol
 
MolToPDBBlock__SWIG_0(long, ROMol, int, long) - Static method in class org.RDKit.RDKFuncsJNI
 
MolToPDBBlock__SWIG_1(long, ROMol, int) - Static method in class org.RDKit.RDKFuncsJNI
 
MolToPDBBlock__SWIG_2(long, ROMol) - Static method in class org.RDKit.RDKFuncsJNI
 
MolToPDBFile(ROMol, String, int, long) - Static method in class org.RDKit.RDKFuncs
 
MolToPDBFile(ROMol, String, int) - Static method in class org.RDKit.RDKFuncs
 
MolToPDBFile(ROMol, String) - Static method in class org.RDKit.RDKFuncs
 
MolToPDBFile(String, int, long) - Method in class org.RDKit.ROMol
 
MolToPDBFile(String, int) - Method in class org.RDKit.ROMol
 
MolToPDBFile(String) - Method in class org.RDKit.ROMol
 
MolToPDBFile__SWIG_0(long, ROMol, String, int, long) - Static method in class org.RDKit.RDKFuncsJNI
 
MolToPDBFile__SWIG_1(long, ROMol, String, int) - Static method in class org.RDKit.RDKFuncsJNI
 
MolToPDBFile__SWIG_2(long, ROMol, String) - Static method in class org.RDKit.RDKFuncsJNI
 
MolToSequence() - Method in class org.RDKit.ROMol
 
MolToSmarts(ROMol, boolean) - Static method in class org.RDKit.RDKFuncs
 
MolToSmarts(ROMol) - Static method in class org.RDKit.RDKFuncs
 
MolToSmarts__SWIG_0(long, ROMol, boolean) - Static method in class org.RDKit.RDKFuncsJNI
 
MolToSmarts__SWIG_1(long, ROMol) - Static method in class org.RDKit.RDKFuncsJNI
 
MolToSmiles(ROMol, boolean, boolean, int, boolean, boolean, boolean, boolean) - Static method in class org.RDKit.RDKFuncs
 
MolToSmiles(ROMol, boolean, boolean, int, boolean, boolean, boolean) - Static method in class org.RDKit.RDKFuncs
 
MolToSmiles(ROMol, boolean, boolean, int, boolean, boolean) - Static method in class org.RDKit.RDKFuncs
 
MolToSmiles(ROMol, boolean, boolean, int, boolean) - Static method in class org.RDKit.RDKFuncs
 
MolToSmiles(ROMol, boolean, boolean, int) - Static method in class org.RDKit.RDKFuncs
 
MolToSmiles(ROMol, boolean, boolean) - Static method in class org.RDKit.RDKFuncs
 
MolToSmiles(ROMol, boolean) - Static method in class org.RDKit.RDKFuncs
 
MolToSmiles(ROMol) - Static method in class org.RDKit.RDKFuncs
 
MolToSmiles(boolean, boolean, int) - Method in class org.RDKit.ROMol
 
MolToSmiles(boolean, boolean) - Method in class org.RDKit.ROMol
 
MolToSmiles(boolean) - Method in class org.RDKit.ROMol
 
MolToSmiles() - Method in class org.RDKit.ROMol
 
MolToSmiles__SWIG_0(long, ROMol, boolean, boolean, int, boolean, boolean, boolean, boolean) - Static method in class org.RDKit.RDKFuncsJNI
 
MolToSmiles__SWIG_1(long, ROMol, boolean, boolean, int, boolean, boolean, boolean) - Static method in class org.RDKit.RDKFuncsJNI
 
MolToSmiles__SWIG_2(long, ROMol, boolean, boolean, int, boolean, boolean) - Static method in class org.RDKit.RDKFuncsJNI
 
MolToSmiles__SWIG_3(long, ROMol, boolean, boolean, int, boolean) - Static method in class org.RDKit.RDKFuncsJNI
 
MolToSmiles__SWIG_4(long, ROMol, boolean, boolean, int) - Static method in class org.RDKit.RDKFuncsJNI
 
MolToSmiles__SWIG_5(long, ROMol, boolean, boolean) - Static method in class org.RDKit.RDKFuncsJNI
 
MolToSmiles__SWIG_6(long, ROMol, boolean) - Static method in class org.RDKit.RDKFuncsJNI
 
MolToSmiles__SWIG_7(long, ROMol) - Static method in class org.RDKit.RDKFuncsJNI
 
MolToTPLFile(ROMol, String, String, boolean) - Static method in class org.RDKit.RDKFuncs
 
MolToTPLFile(ROMol, String, String) - Static method in class org.RDKit.RDKFuncs
 
MolToTPLFile(ROMol, String) - Static method in class org.RDKit.RDKFuncs
 
MolToTPLFile(String, String, boolean) - Method in class org.RDKit.ROMol
 
MolToTPLFile(String, String) - Method in class org.RDKit.ROMol
 
MolToTPLFile(String) - Method in class org.RDKit.ROMol
 
MolToTPLFile__SWIG_0(long, ROMol, String, String, boolean) - Static method in class org.RDKit.RDKFuncsJNI
 
MolToTPLFile__SWIG_1(long, ROMol, String, String) - Static method in class org.RDKit.RDKFuncsJNI
 
MolToTPLFile__SWIG_2(long, ROMol, String) - Static method in class org.RDKit.RDKFuncsJNI
 
MolToTPLText(ROMol, String, boolean) - Static method in class org.RDKit.RDKFuncs
 
MolToTPLText(ROMol, String) - Static method in class org.RDKit.RDKFuncs
 
MolToTPLText(ROMol) - Static method in class org.RDKit.RDKFuncs
 
MolToTPLText(String, boolean) - Method in class org.RDKit.ROMol
 
MolToTPLText(String) - Method in class org.RDKit.ROMol
 
MolToTPLText() - Method in class org.RDKit.ROMol
 
MolToTPLText__SWIG_0(long, ROMol, String, boolean) - Static method in class org.RDKit.RDKFuncsJNI
 
MolToTPLText__SWIG_1(long, ROMol, String) - Static method in class org.RDKit.RDKFuncsJNI
 
MolToTPLText__SWIG_2(long, ROMol) - Static method in class org.RDKit.RDKFuncsJNI
 
molTotValence_get() - Static method in class org.RDKit.RDKFuncsJNI
 
MolToXYZBlock(ROMol, int) - Static method in class org.RDKit.RDKFuncs
 
MolToXYZBlock(ROMol) - Static method in class org.RDKit.RDKFuncs
 
MolToXYZBlock(int) - Method in class org.RDKit.ROMol
 
MolToXYZBlock() - Method in class org.RDKit.ROMol
 
MolToXYZBlock__SWIG_0(long, ROMol, int) - Static method in class org.RDKit.RDKFuncsJNI
 
MolToXYZBlock__SWIG_1(long, ROMol) - Static method in class org.RDKit.RDKFuncsJNI
 
MolToXYZFile(ROMol, String, int) - Static method in class org.RDKit.RDKFuncs
 
MolToXYZFile(ROMol, String) - Static method in class org.RDKit.RDKFuncs
 
MolToXYZFile(String, int) - Method in class org.RDKit.ROMol
 
MolToXYZFile(String) - Method in class org.RDKit.ROMol
 
MolToXYZFile__SWIG_0(long, ROMol, String, int) - Static method in class org.RDKit.RDKFuncsJNI
 
MolToXYZFile__SWIG_1(long, ROMol, String) - Static method in class org.RDKit.RDKFuncsJNI
 
MolWriter - Class in org.RDKit
 
MolWriter(long, boolean) - Constructor for class org.RDKit.MolWriter
 
MolWriter_close(long, MolWriter) - Static method in class org.RDKit.RDKFuncsJNI
 
MolWriter_flush(long, MolWriter) - Static method in class org.RDKit.RDKFuncsJNI
 
MolWriter_numMols(long, MolWriter) - Static method in class org.RDKit.RDKFuncsJNI
 
MolWriter_setProps(long, MolWriter, long, Str_Vect) - Static method in class org.RDKit.RDKFuncsJNI
 
MolWriter_write__SWIG_0(long, MolWriter, long, ROMol, int) - Static method in class org.RDKit.RDKFuncsJNI
 
MolWriter_write__SWIG_1(long, MolWriter, long, ROMol) - Static method in class org.RDKit.RDKFuncsJNI
 
moreElectroNegative(long, long) - Method in class org.RDKit.PeriodicTable
convenience function to determine which atom is more electronegative
morganConnectivityInvariantVersion_get() - Static method in class org.RDKit.RDKFuncsJNI
 
morganFeatureInvariantVersion_get() - Static method in class org.RDKit.RDKFuncsJNI
 
MorganFingerprintMol(ROMol, long, UInt_Vect, UInt_Vect, boolean, boolean, boolean, boolean, BitInfoMap) - Static method in class org.RDKit.RDKFuncs
 
MorganFingerprintMol(ROMol, long, UInt_Vect, UInt_Vect, boolean, boolean, boolean, boolean) - Static method in class org.RDKit.RDKFuncs
 
MorganFingerprintMol(ROMol, long, UInt_Vect, UInt_Vect, boolean, boolean, boolean) - Static method in class org.RDKit.RDKFuncs
 
MorganFingerprintMol(ROMol, long, UInt_Vect, UInt_Vect, boolean, boolean) - Static method in class org.RDKit.RDKFuncs
 
MorganFingerprintMol(ROMol, long, UInt_Vect, UInt_Vect, boolean) - Static method in class org.RDKit.RDKFuncs
 
MorganFingerprintMol(ROMol, long, UInt_Vect, UInt_Vect) - Static method in class org.RDKit.RDKFuncs
 
MorganFingerprintMol(ROMol, long, UInt_Vect) - Static method in class org.RDKit.RDKFuncs
 
MorganFingerprintMol(ROMol, long) - Static method in class org.RDKit.RDKFuncs
 
MorganFingerprintMol__SWIG_0(long, ROMol, long, long, UInt_Vect, long, UInt_Vect, boolean, boolean, boolean, boolean, long, BitInfoMap) - Static method in class org.RDKit.RDKFuncsJNI
 
MorganFingerprintMol__SWIG_1(long, ROMol, long, long, UInt_Vect, long, UInt_Vect, boolean, boolean, boolean, boolean) - Static method in class org.RDKit.RDKFuncsJNI
 
MorganFingerprintMol__SWIG_2(long, ROMol, long, long, UInt_Vect, long, UInt_Vect, boolean, boolean, boolean) - Static method in class org.RDKit.RDKFuncsJNI
 
MorganFingerprintMol__SWIG_3(long, ROMol, long, long, UInt_Vect, long, UInt_Vect, boolean, boolean) - Static method in class org.RDKit.RDKFuncsJNI
 
MorganFingerprintMol__SWIG_4(long, ROMol, long, long, UInt_Vect, long, UInt_Vect, boolean) - Static method in class org.RDKit.RDKFuncsJNI
 
MorganFingerprintMol__SWIG_5(long, ROMol, long, long, UInt_Vect, long, UInt_Vect) - Static method in class org.RDKit.RDKFuncsJNI
 
MorganFingerprintMol__SWIG_6(long, ROMol, long, long, UInt_Vect) - Static method in class org.RDKit.RDKFuncsJNI
 
MorganFingerprintMol__SWIG_7(long, ROMol, long) - Static method in class org.RDKit.RDKFuncsJNI
 
morganFingerprintVersion_get() - Static method in class org.RDKit.RDKFuncsJNI
 
MostCommonIsotope() - Method in class org.RDKit.atomicData
 
MostCommonIsotopeMass() - Method in class org.RDKit.atomicData
 
moveTo(long) - Method in class org.RDKit.ResonanceMolSupplier
 
moveTo(long) - Method in class org.RDKit.SDMolSupplier
 
moveTo(long) - Method in class org.RDKit.SmilesMolSupplier
 
moveTo(long) - Method in class org.RDKit.TDTMolSupplier
 
MQNVersion_get() - Static method in class org.RDKit.RDKFuncsJNI
 
MRV_SMA_get() - Static method in class org.RDKit.RDKFuncsJNI
 
MurckoDecompose(ROMol) - Static method in class org.RDKit.RDKFuncs
 
MurckoDecompose(long, ROMol) - Static method in class org.RDKit.RDKFuncsJNI
 

N

ne(AromaticAtomIterator) - Method in class org.RDKit.AromaticAtomIterator
 
ne(AtomIterator) - Method in class org.RDKit.AtomIterator
 
ne(BondIterator) - Method in class org.RDKit.BondIterator
 
ne(ConstBondIterator) - Method in class org.RDKit.ConstBondIterator
 
ne(HeteroatomIterator) - Method in class org.RDKit.HeteroatomIterator
 
ne(QueryAtomIterator) - Method in class org.RDKit.QueryAtomIterator
 
ne(SparseIntVect32) - Method in class org.RDKit.SparseIntVect32
 
ne(SparseIntVect64) - Method in class org.RDKit.SparseIntVect64
 
ne(SparseIntVectu32) - Method in class org.RDKit.SparseIntVectu32
 
needsUpdatePropertyCache() - Method in class org.RDKit.Atom
 
needsUpdatePropertyCache() - Method in class org.RDKit.ROMol
 
new_AdjustQueryParameters() - Static method in class org.RDKit.RDKFuncsJNI
 
new_AngleBendContrib__SWIG_0() - Static method in class org.RDKit.RDKFuncsJNI
 
new_AngleBendContrib__SWIG_1(long, ForceField, long, long, long, double, double, long, AtomicParams, long, AtomicParams, long, AtomicParams, long) - Static method in class org.RDKit.RDKFuncsJNI
 
new_AngleBendContrib__SWIG_2(long, ForceField, long, long, long, double, double, long, AtomicParams, long, AtomicParams, long, AtomicParams) - Static method in class org.RDKit.RDKFuncsJNI
 
new_AromaticAtomIterator__SWIG_0() - Static method in class org.RDKit.RDKFuncsJNI
 
new_AromaticAtomIterator__SWIG_1(long, ROMol) - Static method in class org.RDKit.RDKFuncsJNI
 
new_AromaticAtomIterator__SWIG_2(long, ROMol, int) - Static method in class org.RDKit.RDKFuncsJNI
 
new_AromaticAtomIterator__SWIG_3(long, AromaticAtomIterator) - Static method in class org.RDKit.RDKFuncsJNI
 
new_Atom__SWIG_0() - Static method in class org.RDKit.RDKFuncsJNI
 
new_Atom__SWIG_1(long) - Static method in class org.RDKit.RDKFuncsJNI
 
new_Atom__SWIG_2(String) - Static method in class org.RDKit.RDKFuncsJNI
 
new_Atom__SWIG_3(long, Atom) - Static method in class org.RDKit.RDKFuncsJNI
 
new_Atom_Vect__SWIG_0() - Static method in class org.RDKit.RDKFuncsJNI
 
new_Atom_Vect__SWIG_1(long) - Static method in class org.RDKit.RDKFuncsJNI
 
new_Atomic_Params_Vect__SWIG_0() - Static method in class org.RDKit.RDKFuncsJNI
 
new_Atomic_Params_Vect__SWIG_1(long) - Static method in class org.RDKit.RDKFuncsJNI
 
new_atomicData(String) - Static method in class org.RDKit.RDKFuncsJNI
 
new_AtomicParams() - Static method in class org.RDKit.RDKFuncsJNI
 
new_AtomIterator__SWIG_0() - Static method in class org.RDKit.RDKFuncsJNI
 
new_AtomIterator__SWIG_1(long, ROMol) - Static method in class org.RDKit.RDKFuncsJNI
 
new_AtomIterator__SWIG_2(long, ROMol, int) - Static method in class org.RDKit.RDKFuncsJNI
 
new_AtomIterator__SWIG_3(long, AtomIterator) - Static method in class org.RDKit.RDKFuncsJNI
 
new_AtomKekulizeException__SWIG_0(String, long) - Static method in class org.RDKit.RDKFuncsJNI
 
new_AtomKekulizeException__SWIG_2(long, AtomKekulizeException) - Static method in class org.RDKit.RDKFuncsJNI
 
new_AtomMonomerInfo__SWIG_0() - Static method in class org.RDKit.RDKFuncsJNI
 
new_AtomMonomerInfo__SWIG_1(int, String) - Static method in class org.RDKit.RDKFuncsJNI
 
new_AtomMonomerInfo__SWIG_2(int) - Static method in class org.RDKit.RDKFuncsJNI
 
new_AtomMonomerInfo__SWIG_3(long, AtomMonomerInfo) - Static method in class org.RDKit.RDKFuncsJNI
 
new_AtomPDBResidueInfo__SWIG_0() - Static method in class org.RDKit.RDKFuncsJNI
 
new_AtomPDBResidueInfo__SWIG_1(long, AtomPDBResidueInfo) - Static method in class org.RDKit.RDKFuncsJNI
 
new_AtomPDBResidueInfo__SWIG_10(String, int, String, String) - Static method in class org.RDKit.RDKFuncsJNI
 
new_AtomPDBResidueInfo__SWIG_11(String, int, String) - Static method in class org.RDKit.RDKFuncsJNI
 
new_AtomPDBResidueInfo__SWIG_12(String, int) - Static method in class org.RDKit.RDKFuncsJNI
 
new_AtomPDBResidueInfo__SWIG_13(String) - Static method in class org.RDKit.RDKFuncsJNI
 
new_AtomPDBResidueInfo__SWIG_2(String, int, String, String, int, String, String, double, double, boolean, long, long) - Static method in class org.RDKit.RDKFuncsJNI
 
new_AtomPDBResidueInfo__SWIG_3(String, int, String, String, int, String, String, double, double, boolean, long) - Static method in class org.RDKit.RDKFuncsJNI
 
new_AtomPDBResidueInfo__SWIG_4(String, int, String, String, int, String, String, double, double, boolean) - Static method in class org.RDKit.RDKFuncsJNI
 
new_AtomPDBResidueInfo__SWIG_5(String, int, String, String, int, String, String, double, double) - Static method in class org.RDKit.RDKFuncsJNI
 
new_AtomPDBResidueInfo__SWIG_6(String, int, String, String, int, String, String, double) - Static method in class org.RDKit.RDKFuncsJNI
 
new_AtomPDBResidueInfo__SWIG_7(String, int, String, String, int, String, String) - Static method in class org.RDKit.RDKFuncsJNI
 
new_AtomPDBResidueInfo__SWIG_8(String, int, String, String, int, String) - Static method in class org.RDKit.RDKFuncsJNI
 
new_AtomPDBResidueInfo__SWIG_9(String, int, String, String, int) - Static method in class org.RDKit.RDKFuncsJNI
 
new_AtomRingQuery__SWIG_0() - Static method in class org.RDKit.RDKFuncsJNI
 
new_AtomRingQuery__SWIG_1(int) - Static method in class org.RDKit.RDKFuncsJNI
 
new_AtomSanitizeException__SWIG_0(String, long) - Static method in class org.RDKit.RDKFuncsJNI
 
new_AtomSanitizeException__SWIG_2(long, AtomSanitizeException) - Static method in class org.RDKit.RDKFuncsJNI
 
new_AtomValenceException__SWIG_0(String, long) - Static method in class org.RDKit.RDKFuncsJNI
 
new_AtomValenceException__SWIG_2(long, AtomValenceException) - Static method in class org.RDKit.RDKFuncsJNI
 
new_BitInfoMap__SWIG_0() - Static method in class org.RDKit.RDKFuncsJNI
 
new_BitInfoMap__SWIG_1(long, BitInfoMap) - Static method in class org.RDKit.RDKFuncsJNI
 
new_Bond__SWIG_0() - Static method in class org.RDKit.RDKFuncsJNI
 
new_Bond__SWIG_1(int) - Static method in class org.RDKit.RDKFuncsJNI
 
new_Bond__SWIG_2(long, Bond) - Static method in class org.RDKit.RDKFuncsJNI
 
new_Bond_Vect__SWIG_0() - Static method in class org.RDKit.RDKFuncsJNI
 
new_Bond_Vect__SWIG_1(long) - Static method in class org.RDKit.RDKFuncsJNI
 
new_BondIterator__SWIG_0() - Static method in class org.RDKit.RDKFuncsJNI
 
new_BondIterator__SWIG_1(long, ROMol) - Static method in class org.RDKit.RDKFuncsJNI
 
new_BondIterator__SWIG_2(long, ROMol, long) - Static method in class org.RDKit.RDKFuncsJNI
 
new_BondIterator__SWIG_3(long, BondIterator) - Static method in class org.RDKit.RDKFuncsJNI
 
new_BondStretchContrib__SWIG_0() - Static method in class org.RDKit.RDKFuncsJNI
 
new_BondStretchContrib__SWIG_1(long, ForceField, long, long, double, long, AtomicParams, long, AtomicParams) - Static method in class org.RDKit.RDKFuncsJNI
 
new_BoundsMatrix__SWIG_0(long) - Static method in class org.RDKit.RDKFuncsJNI
 
new_BoundsMatrix__SWIG_1(long, long, Shared_Double_Array) - Static method in class org.RDKit.RDKFuncsJNI
 
new_Byte_Vect__SWIG_0() - Static method in class org.RDKit.RDKFuncsJNI
 
new_Byte_Vect__SWIG_1(long) - Static method in class org.RDKit.RDKFuncsJNI
 
new_CachedMolHolder() - Static method in class org.RDKit.RDKFuncsJNI
 
new_CachedSmilesMolHolder() - Static method in class org.RDKit.RDKFuncsJNI
 
new_CachedTrustedSmilesMolHolder() - Static method in class org.RDKit.RDKFuncsJNI
 
new_charptr_functor() - Static method in class org.RDKit.RDKFuncsJNI
 
new_ChemicalReaction__SWIG_0() - Static method in class org.RDKit.RDKFuncsJNI
 
new_ChemicalReaction__SWIG_1(long, ChemicalReaction) - Static method in class org.RDKit.RDKFuncsJNI
 
new_ChemicalReaction__SWIG_2(String) - Static method in class org.RDKit.RDKFuncsJNI
 
new_ChemicalReactionException__SWIG_0(String) - Static method in class org.RDKit.RDKFuncsJNI
 
new_ChemicalReactionParserException__SWIG_0(String) - Static method in class org.RDKit.RDKFuncsJNI
 
new_ChiralSet(long, long, long, long, long, double, double) - Static method in class org.RDKit.RDKFuncsJNI
 
new_CleanupParameters() - Static method in class org.RDKit.RDKFuncsJNI
 
new_ColourPalette__SWIG_0() - Static method in class org.RDKit.RDKFuncsJNI
 
new_ColourPalette__SWIG_1(long, ColourPalette) - Static method in class org.RDKit.RDKFuncsJNI
 
new_Conformer__SWIG_0() - Static method in class org.RDKit.RDKFuncsJNI
 
new_Conformer__SWIG_1(long) - Static method in class org.RDKit.RDKFuncsJNI
 
new_Conformer__SWIG_2(long, Conformer) - Static method in class org.RDKit.RDKFuncsJNI
 
new_ConformerException__SWIG_0(String) - Static method in class org.RDKit.RDKFuncsJNI
 
new_ConstBondIterator__SWIG_0() - Static method in class org.RDKit.RDKFuncsJNI
 
new_ConstBondIterator__SWIG_1(long, ROMol) - Static method in class org.RDKit.RDKFuncsJNI
 
new_ConstBondIterator__SWIG_2(long, ROMol, long) - Static method in class org.RDKit.RDKFuncsJNI
 
new_ConstBondIterator__SWIG_3(long, ConstBondIterator) - Static method in class org.RDKit.RDKFuncsJNI
 
new_ContourParams() - Static method in class org.RDKit.RDKFuncsJNI
 
new_Dict__SWIG_0() - Static method in class org.RDKit.RDKFuncsJNI
 
new_Dict__SWIG_1(long, Dict) - Static method in class org.RDKit.RDKFuncsJNI
 
new_DistanceConstraintContrib__SWIG_0() - Static method in class org.RDKit.RDKFuncsJNI
 
new_DistanceConstraintContrib__SWIG_1(long, ForceField, long, long, double, double, double) - Static method in class org.RDKit.RDKFuncsJNI
 
new_DistanceConstraintContrib__SWIG_2(long, ForceField, long, long, boolean, double, double, double) - Static method in class org.RDKit.RDKFuncsJNI
 
new_DistanceGeom() - Static method in class org.RDKit.RDKFuncsJNI
 
new_Double_Array(int) - Static method in class org.RDKit.RDKFuncsJNI
 
new_Double_Pair__SWIG_0() - Static method in class org.RDKit.RDKFuncsJNI
 
new_Double_Pair__SWIG_1(double, double) - Static method in class org.RDKit.RDKFuncsJNI
 
new_Double_Pair__SWIG_2(long, Double_Pair) - Static method in class org.RDKit.RDKFuncsJNI
 
new_Double_Vect__SWIG_0() - Static method in class org.RDKit.RDKFuncsJNI
 
new_Double_Vect__SWIG_1(long) - Static method in class org.RDKit.RDKFuncsJNI
 
new_DoubleMatrix__SWIG_0(long, long) - Static method in class org.RDKit.RDKFuncsJNI
 
new_DoubleMatrix__SWIG_1(long, long, double) - Static method in class org.RDKit.RDKFuncsJNI
 
new_DoubleMatrix__SWIG_2(long, long, long, Shared_Double_Array) - Static method in class org.RDKit.RDKFuncsJNI
 
new_DoubleMatrix__SWIG_3(long, DoubleMatrix) - Static method in class org.RDKit.RDKFuncsJNI
 
new_DoubleSquareMatrix__SWIG_0() - Static method in class org.RDKit.RDKFuncsJNI
 
new_DoubleSquareMatrix__SWIG_1(long) - Static method in class org.RDKit.RDKFuncsJNI
 
new_DoubleSquareMatrix__SWIG_2(long, double) - Static method in class org.RDKit.RDKFuncsJNI
 
new_DoubleSquareMatrix__SWIG_3(long, long, Shared_Double_Array) - Static method in class org.RDKit.RDKFuncsJNI
 
new_DoubleSymmMatrix__SWIG_0(long) - Static method in class org.RDKit.RDKFuncsJNI
 
new_DoubleSymmMatrix__SWIG_1(long, double) - Static method in class org.RDKit.RDKFuncsJNI
 
new_DoubleSymmMatrix__SWIG_2(long, long, Shared_Double_Array) - Static method in class org.RDKit.RDKFuncsJNI
 
new_DoubleSymmMatrix__SWIG_3(long, DoubleSymmMatrix) - Static method in class org.RDKit.RDKFuncsJNI
 
new_DrawColour__SWIG_0() - Static method in class org.RDKit.RDKFuncsJNI
 
new_DrawColour__SWIG_1(double, double, double, double) - Static method in class org.RDKit.RDKFuncsJNI
 
new_DrawColour__SWIG_2(double, double, double) - Static method in class org.RDKit.RDKFuncsJNI
 
new_EBV_Vect__SWIG_0() - Static method in class org.RDKit.RDKFuncsJNI
 
new_EBV_Vect__SWIG_1(long) - Static method in class org.RDKit.RDKFuncsJNI
 
new_EmbedParameters__SWIG_0() - Static method in class org.RDKit.RDKFuncsJNI
 
new_EmbedParameters__SWIG_1(long, int, int, boolean, boolean, double, boolean, long, long, Int_Point3D_Map, double, boolean, boolean, boolean, boolean, boolean, double, double, boolean, long, long, BoundsMatrix, boolean) - Static method in class org.RDKit.RDKFuncsJNI
 
new_EmbedParameters__SWIG_2(long, int, int, boolean, boolean, double, boolean, long, long, Int_Point3D_Map, double, boolean, boolean, boolean, boolean, boolean, double, double, boolean, long, long, BoundsMatrix) - Static method in class org.RDKit.RDKFuncsJNI
 
new_EmbedParameters__SWIG_3(long, int, int, boolean, boolean, double, boolean, long, long, Int_Point3D_Map, double, boolean, boolean, boolean, boolean, boolean, double, double, boolean, long) - Static method in class org.RDKit.RDKFuncsJNI
 
new_EmbedParameters__SWIG_4(long, int, int, boolean, boolean, double, boolean, long, long, Int_Point3D_Map, double, boolean, boolean, boolean, boolean, boolean, double, double, boolean) - Static method in class org.RDKit.RDKFuncsJNI
 
new_EmbedParameters__SWIG_5(long, EmbedParameters) - Static method in class org.RDKit.RDKFuncsJNI
 
new_ExplicitBitVect__SWIG_0() - Static method in class org.RDKit.RDKFuncsJNI
 
new_ExplicitBitVect__SWIG_1(long) - Static method in class org.RDKit.RDKFuncsJNI
 
new_ExplicitBitVect__SWIG_2(long, ExplicitBitVect) - Static method in class org.RDKit.RDKFuncsJNI
 
new_ExplicitBitVect__SWIG_3(String) - Static method in class org.RDKit.RDKFuncsJNI
 
new_ExplicitBitVect__SWIG_4(String, long) - Static method in class org.RDKit.RDKFuncsJNI
 
new_ExplicitBitVect__SWIG_5(long) - Static method in class org.RDKit.RDKFuncsJNI
 
new_ExplicitBitVect__SWIG_6(long, UChar_Vect) - Static method in class org.RDKit.RDKFuncsJNI
 
new_ExtraInchiReturnValues() - Static method in class org.RDKit.RDKFuncsJNI
 
new_FF_Contrib_Vect__SWIG_0() - Static method in class org.RDKit.RDKFuncsJNI
 
new_FF_Contrib_Vect__SWIG_1(long) - Static method in class org.RDKit.RDKFuncsJNI
 
new_FilterCatalog__SWIG_0() - Static method in class org.RDKit.RDKFuncsJNI
 
new_FilterCatalog__SWIG_1(int) - Static method in class org.RDKit.RDKFuncsJNI
 
new_FilterCatalog__SWIG_2(long, FilterCatalogParams) - Static method in class org.RDKit.RDKFuncsJNI
 
new_FilterCatalog__SWIG_3(long, FilterCatalog) - Static method in class org.RDKit.RDKFuncsJNI
 
new_FilterCatalog__SWIG_4(String) - Static method in class org.RDKit.RDKFuncsJNI
 
new_FilterCatalog__SWIG_5(long, UChar_Vect) - Static method in class org.RDKit.RDKFuncsJNI
 
new_FilterCatalogEntry__SWIG_0() - Static method in class org.RDKit.RDKFuncsJNI
 
new_FilterCatalogEntry__SWIG_1(String, long, FilterMatcherBase) - Static method in class org.RDKit.RDKFuncsJNI
 
new_FilterCatalogEntry__SWIG_2(String, long) - Static method in class org.RDKit.RDKFuncsJNI
 
new_FilterCatalogEntry__SWIG_3(long, FilterCatalogEntry) - Static method in class org.RDKit.RDKFuncsJNI
 
new_FilterCatalogEntry_Vect__SWIG_0() - Static method in class org.RDKit.RDKFuncsJNI
 
new_FilterCatalogEntry_Vect__SWIG_1(long) - Static method in class org.RDKit.RDKFuncsJNI
 
new_FilterCatalogEntry_VectVect__SWIG_0() - Static method in class org.RDKit.RDKFuncsJNI
 
new_FilterCatalogEntry_VectVect__SWIG_1(long) - Static method in class org.RDKit.RDKFuncsJNI
 
new_FilterCatalogEntryVect__SWIG_0() - Static method in class org.RDKit.RDKFuncsJNI
 
new_FilterCatalogEntryVect__SWIG_1(long) - Static method in class org.RDKit.RDKFuncsJNI
 
new_FilterCatalogParams__SWIG_0() - Static method in class org.RDKit.RDKFuncsJNI
 
new_FilterCatalogParams__SWIG_1(int) - Static method in class org.RDKit.RDKFuncsJNI
 
new_FilterCatalogParams__SWIG_2(long, FilterCatalogParams) - Static method in class org.RDKit.RDKFuncsJNI
 
new_FilterMatch__SWIG_0() - Static method in class org.RDKit.RDKFuncsJNI
 
new_FilterMatch__SWIG_1(long, long, Match_Vect) - Static method in class org.RDKit.RDKFuncsJNI
 
new_FilterMatch__SWIG_2(long, FilterMatch) - Static method in class org.RDKit.RDKFuncsJNI
 
new_FilterMatch_Vect__SWIG_0() - Static method in class org.RDKit.RDKFuncsJNI
 
new_FilterMatch_Vect__SWIG_1(long) - Static method in class org.RDKit.RDKFuncsJNI
 
new_Flagged_Atomic_Params_Vect__SWIG_0() - Static method in class org.RDKit.RDKFuncsJNI
 
new_Flagged_Atomic_Params_Vect__SWIG_1(long, Atomic_Params_Vect, boolean) - Static method in class org.RDKit.RDKFuncsJNI
 
new_Flagged_Atomic_Params_Vect__SWIG_2(long, Flagged_Atomic_Params_Vect) - Static method in class org.RDKit.RDKFuncsJNI
 
new_Float_Pair__SWIG_0() - Static method in class org.RDKit.RDKFuncsJNI
 
new_Float_Pair__SWIG_1(float, float) - Static method in class org.RDKit.RDKFuncsJNI
 
new_Float_Pair__SWIG_2(long, Float_Pair) - Static method in class org.RDKit.RDKFuncsJNI
 
new_Float_Pair_Vect__SWIG_0() - Static method in class org.RDKit.RDKFuncsJNI
 
new_Float_Pair_Vect__SWIG_1(long) - Static method in class org.RDKit.RDKFuncsJNI
 
new_ForceField__SWIG_0(long) - Static method in class org.RDKit.RDKFuncsJNI
 
new_ForceField__SWIG_1() - Static method in class org.RDKit.RDKFuncsJNI
 
new_ForceField__SWIG_2(long, ForceField) - Static method in class org.RDKit.RDKFuncsJNI
 
new_ForwardSDMolSupplier__SWIG_0() - Static method in class org.RDKit.RDKFuncsJNI
 
new_ForwardSDMolSupplier__SWIG_1(long, boolean, boolean, boolean, boolean) - Static method in class org.RDKit.RDKFuncsJNI
 
new_ForwardSDMolSupplier__SWIG_2(long, boolean, boolean, boolean) - Static method in class org.RDKit.RDKFuncsJNI
 
new_ForwardSDMolSupplier__SWIG_3(long, boolean, boolean) - Static method in class org.RDKit.RDKFuncsJNI
 
new_ForwardSDMolSupplier__SWIG_4(long, boolean) - Static method in class org.RDKit.RDKFuncsJNI
 
new_ForwardSDMolSupplier__SWIG_5(long) - Static method in class org.RDKit.RDKFuncsJNI
 
new_ForwardSDMolSupplier__SWIG_6(long, gzstream, boolean, boolean, boolean) - Static method in class org.RDKit.RDKFuncsJNI
 
new_ForwardSDMolSupplier__SWIG_7(long, gzstream, boolean, boolean) - Static method in class org.RDKit.RDKFuncsJNI
 
new_ForwardSDMolSupplier__SWIG_8(long, gzstream, boolean) - Static method in class org.RDKit.RDKFuncsJNI
 
new_ForwardSDMolSupplier__SWIG_9(long, gzstream) - Static method in class org.RDKit.RDKFuncsJNI
 
new_FragmenterBondType() - Static method in class org.RDKit.RDKFuncsJNI
 
new_GenericRDKitException__SWIG_0(String) - Static method in class org.RDKit.RDKFuncsJNI
 
new_gzstream(String) - Static method in class org.RDKit.RDKFuncsJNI
 
new_HeteroatomIterator__SWIG_0() - Static method in class org.RDKit.RDKFuncsJNI
 
new_HeteroatomIterator__SWIG_1(long, ROMol) - Static method in class org.RDKit.RDKFuncsJNI
 
new_HeteroatomIterator__SWIG_2(long, ROMol, int) - Static method in class org.RDKit.RDKFuncsJNI
 
new_HeteroatomIterator__SWIG_3(long, HeteroatomIterator) - Static method in class org.RDKit.RDKFuncsJNI
 
new_IndexErrorException(int) - Static method in class org.RDKit.RDKFuncsJNI
 
new_Int_Double_Map__SWIG_0() - Static method in class org.RDKit.RDKFuncsJNI
 
new_Int_Double_Map__SWIG_1(long, Int_Double_Map) - Static method in class org.RDKit.RDKFuncsJNI
 
new_Int_Int_Map__SWIG_0() - Static method in class org.RDKit.RDKFuncsJNI
 
new_Int_Int_Map__SWIG_1(long, Int_Int_Map) - Static method in class org.RDKit.RDKFuncsJNI
 
new_Int_Int_Vect_List_Map__SWIG_0() - Static method in class org.RDKit.RDKFuncsJNI
 
new_Int_Int_Vect_List_Map__SWIG_1(long, Int_Int_Vect_List_Map) - Static method in class org.RDKit.RDKFuncsJNI
 
new_Int_Int_Vect_Map__SWIG_0() - Static method in class org.RDKit.RDKFuncsJNI
 
new_Int_Int_Vect_Map__SWIG_1(long, Int_Int_Vect_Map) - Static method in class org.RDKit.RDKFuncsJNI
 
new_Int_List() - Static method in class org.RDKit.RDKFuncsJNI
 
new_Int_Pair__SWIG_0() - Static method in class org.RDKit.RDKFuncsJNI
 
new_Int_Pair__SWIG_1(int, int) - Static method in class org.RDKit.RDKFuncsJNI
 
new_Int_Pair__SWIG_2(long, Int_Pair) - Static method in class org.RDKit.RDKFuncsJNI
 
new_Int_Point2D_Map__SWIG_0() - Static method in class org.RDKit.RDKFuncsJNI
 
new_Int_Point2D_Map__SWIG_1(long, Int_Point2D_Map) - Static method in class org.RDKit.RDKFuncsJNI
 
new_Int_Point3D_Map__SWIG_0() - Static method in class org.RDKit.RDKFuncsJNI
 
new_Int_Point3D_Map__SWIG_1(long, Int_Point3D_Map) - Static method in class org.RDKit.RDKFuncsJNI
 
new_Int_String_Map__SWIG_0() - Static method in class org.RDKit.RDKFuncsJNI
 
new_Int_String_Map__SWIG_1(long, Int_String_Map) - Static method in class org.RDKit.RDKFuncsJNI
 
new_Int_Vect__SWIG_0() - Static method in class org.RDKit.RDKFuncsJNI
 
new_Int_Vect__SWIG_1(long) - Static method in class org.RDKit.RDKFuncsJNI
 
new_Int_Vect_List() - Static method in class org.RDKit.RDKFuncsJNI
 
new_Int_Vect_Vect__SWIG_0() - Static method in class org.RDKit.RDKFuncsJNI
 
new_Int_Vect_Vect__SWIG_1(long) - Static method in class org.RDKit.RDKFuncsJNI
 
new_IntMatrix__SWIG_0(long, long) - Static method in class org.RDKit.RDKFuncsJNI
 
new_IntMatrix__SWIG_1(long, long, int) - Static method in class org.RDKit.RDKFuncsJNI
 
new_IntMatrix__SWIG_2(long, long, long, Shared_Int_Array) - Static method in class org.RDKit.RDKFuncsJNI
 
new_IntMatrix__SWIG_3(long, IntMatrix) - Static method in class org.RDKit.RDKFuncsJNI
 
new_IntSymmMatrix__SWIG_0(long) - Static method in class org.RDKit.RDKFuncsJNI
 
new_IntSymmMatrix__SWIG_1(long, int) - Static method in class org.RDKit.RDKFuncsJNI
 
new_IntSymmMatrix__SWIG_2(long, long, Shared_Int_Array) - Static method in class org.RDKit.RDKFuncsJNI
 
new_IntSymmMatrix__SWIG_3(long, IntSymmMatrix) - Static method in class org.RDKit.RDKFuncsJNI
 
new_InversionContrib__SWIG_0() - Static method in class org.RDKit.RDKFuncsJNI
 
new_InversionContrib__SWIG_1(long, ForceField, long, long, long, long, int, boolean, double) - Static method in class org.RDKit.RDKFuncsJNI
 
new_InversionContrib__SWIG_2(long, ForceField, long, long, long, long, int, boolean) - Static method in class org.RDKit.RDKFuncsJNI
 
new_KekulizeException__SWIG_0(String, long, UInt_Vect) - Static method in class org.RDKit.RDKFuncsJNI
 
new_KekulizeException__SWIG_2(long, KekulizeException) - Static method in class org.RDKit.RDKFuncsJNI
 
new_KeyErrorException(String) - Static method in class org.RDKit.RDKFuncsJNI
 
new_Long_Pair__SWIG_0() - Static method in class org.RDKit.RDKFuncsJNI
 
new_Long_Pair__SWIG_1(long, int) - Static method in class org.RDKit.RDKFuncsJNI
 
new_Long_Pair__SWIG_2(long, Long_Pair) - Static method in class org.RDKit.RDKFuncsJNI
 
new_Long_Pair_Vect__SWIG_0() - Static method in class org.RDKit.RDKFuncsJNI
 
new_Long_Pair_Vect__SWIG_1(long) - Static method in class org.RDKit.RDKFuncsJNI
 
new_ltDouble() - Static method in class org.RDKit.RDKFuncsJNI
 
new_Match_Vect__SWIG_0() - Static method in class org.RDKit.RDKFuncsJNI
 
new_Match_Vect__SWIG_1(long) - Static method in class org.RDKit.RDKFuncsJNI
 
new_Match_Vect_Vect__SWIG_0() - Static method in class org.RDKit.RDKFuncsJNI
 
new_Match_Vect_Vect__SWIG_1(long) - Static method in class org.RDKit.RDKFuncsJNI
 
new_MCSAtomCompareParameters() - Static method in class org.RDKit.RDKFuncsJNI
 
new_MCSBondCompareParameters() - Static method in class org.RDKit.RDKFuncsJNI
 
new_MCSProgressData() - Static method in class org.RDKit.RDKFuncsJNI
 
new_MCSResult() - Static method in class org.RDKit.RDKFuncsJNI
 
new_MolDraw2DSVG__SWIG_0(int, int, long, int, int) - Static method in class org.RDKit.RDKFuncsJNI
 
new_MolDraw2DSVG__SWIG_1(int, int, long, int) - Static method in class org.RDKit.RDKFuncsJNI
 
new_MolDraw2DSVG__SWIG_2(int, int, int, int) - Static method in class org.RDKit.RDKFuncsJNI
 
new_MolDraw2DSVG__SWIG_3(int, int, int) - Static method in class org.RDKit.RDKFuncsJNI
 
new_MolDraw2DSVG__SWIG_4(int, int) - Static method in class org.RDKit.RDKFuncsJNI
 
new_MolDrawOptions() - Static method in class org.RDKit.RDKFuncsJNI
 
new_MolFileUnhandledFeatureException__SWIG_0(String) - Static method in class org.RDKit.RDKFuncsJNI
 
new_MolHolder() - Static method in class org.RDKit.RDKFuncsJNI
 
new_MolPicklerException__SWIG_0(String) - Static method in class org.RDKit.RDKFuncsJNI
 
new_MolSanitizeException__SWIG_0(String) - Static method in class org.RDKit.RDKFuncsJNI
 
new_MolSanitizeException__SWIG_2(long, MolSanitizeException) - Static method in class org.RDKit.RDKFuncsJNI
 
new_MolSanitizeException_Vect__SWIG_0() - Static method in class org.RDKit.RDKFuncsJNI
 
new_MolSanitizeException_Vect__SWIG_1(long) - Static method in class org.RDKit.RDKFuncsJNI
 
new_MolStackElem__SWIG_0(long, Atom) - Static method in class org.RDKit.RDKFuncsJNI
 
new_MolStackElem__SWIG_1(long, Bond, int) - Static method in class org.RDKit.RDKFuncsJNI
 
new_MolStackElem__SWIG_2(int) - Static method in class org.RDKit.RDKFuncsJNI
 
new_MolStackElem__SWIG_3(String, int) - Static method in class org.RDKit.RDKFuncsJNI
 
new_MolStackUnion() - Static method in class org.RDKit.RDKFuncsJNI
 
new_PatternHolder() - Static method in class org.RDKit.RDKFuncsJNI
 
new_PDBMolSupplier__SWIG_0(long, boolean, boolean, boolean, long, boolean) - Static method in class org.RDKit.RDKFuncsJNI
 
new_PDBMolSupplier__SWIG_1(long, boolean, boolean, boolean, long) - Static method in class org.RDKit.RDKFuncsJNI
 
new_PDBMolSupplier__SWIG_10(String) - Static method in class org.RDKit.RDKFuncsJNI
 
new_PDBMolSupplier__SWIG_2(long, boolean, boolean, boolean) - Static method in class org.RDKit.RDKFuncsJNI
 
new_PDBMolSupplier__SWIG_3(long, boolean, boolean) - Static method in class org.RDKit.RDKFuncsJNI
 
new_PDBMolSupplier__SWIG_4(long, boolean) - Static method in class org.RDKit.RDKFuncsJNI
 
new_PDBMolSupplier__SWIG_5(long) - Static method in class org.RDKit.RDKFuncsJNI
 
new_PDBMolSupplier__SWIG_6(String, boolean, boolean, long, boolean) - Static method in class org.RDKit.RDKFuncsJNI
 
new_PDBMolSupplier__SWIG_7(String, boolean, boolean, long) - Static method in class org.RDKit.RDKFuncsJNI
 
new_PDBMolSupplier__SWIG_8(String, boolean, boolean) - Static method in class org.RDKit.RDKFuncsJNI
 
new_PDBMolSupplier__SWIG_9(String, boolean) - Static method in class org.RDKit.RDKFuncsJNI
 
new_PDBWriter__SWIG_0(String, long) - Static method in class org.RDKit.RDKFuncsJNI
 
new_PDBWriter__SWIG_1(String) - Static method in class org.RDKit.RDKFuncsJNI
 
new_PDBWriter__SWIG_2(long, boolean, long) - Static method in class org.RDKit.RDKFuncsJNI
 
new_PDBWriter__SWIG_3(long, boolean) - Static method in class org.RDKit.RDKFuncsJNI
 
new_PDBWriter__SWIG_4(long) - Static method in class org.RDKit.RDKFuncsJNI
 
new_Point2D__SWIG_0() - Static method in class org.RDKit.RDKFuncsJNI
 
new_Point2D__SWIG_1(double, double) - Static method in class org.RDKit.RDKFuncsJNI
 
new_Point2D__SWIG_2(long, Point2D) - Static method in class org.RDKit.RDKFuncsJNI
 
new_Point2D__SWIG_3(long, Point3D) - Static method in class org.RDKit.RDKFuncsJNI
 
new_Point2D_Vect__SWIG_0() - Static method in class org.RDKit.RDKFuncsJNI
 
new_Point2D_Vect__SWIG_1(long) - Static method in class org.RDKit.RDKFuncsJNI
 
new_Point3D__SWIG_0() - Static method in class org.RDKit.RDKFuncsJNI
 
new_Point3D__SWIG_1(double, double, double) - Static method in class org.RDKit.RDKFuncsJNI
 
new_Point3D__SWIG_2(long, Point3D) - Static method in class org.RDKit.RDKFuncsJNI
 
new_Point3D_Vect__SWIG_0() - Static method in class org.RDKit.RDKFuncsJNI
 
new_Point3D_Vect__SWIG_1(long) - Static method in class org.RDKit.RDKFuncsJNI
 
new_Point_Vect__SWIG_0() - Static method in class org.RDKit.RDKFuncsJNI
 
new_Point_Vect__SWIG_1(long) - Static method in class org.RDKit.RDKFuncsJNI
 
new_PointND__SWIG_0(long) - Static method in class org.RDKit.RDKFuncsJNI
 
new_PointND__SWIG_1(long, PointND) - Static method in class org.RDKit.RDKFuncsJNI
 
new_QueryAtom__SWIG_0() - Static method in class org.RDKit.RDKFuncsJNI
 
new_QueryAtom__SWIG_1(int) - Static method in class org.RDKit.RDKFuncsJNI
 
new_QueryAtom__SWIG_2(long, Atom) - Static method in class org.RDKit.RDKFuncsJNI
 
new_QueryAtom__SWIG_3(long, QueryAtom) - Static method in class org.RDKit.RDKFuncsJNI
 
new_QueryAtomIterator__SWIG_0() - Static method in class org.RDKit.RDKFuncsJNI
 
new_QueryAtomIterator__SWIG_1(long, ROMol, long, QueryAtom) - Static method in class org.RDKit.RDKFuncsJNI
 
new_QueryAtomIterator__SWIG_2(long, ROMol, int) - Static method in class org.RDKit.RDKFuncsJNI
 
new_QueryAtomIterator__SWIG_3(long, QueryAtomIterator) - Static method in class org.RDKit.RDKFuncsJNI
 
new_QueryBond__SWIG_0() - Static method in class org.RDKit.RDKFuncsJNI
 
new_QueryBond__SWIG_1(int) - Static method in class org.RDKit.RDKFuncsJNI
 
new_QueryBond__SWIG_2(long, Bond) - Static method in class org.RDKit.RDKFuncsJNI
 
new_QueryBond__SWIG_3(long, QueryBond) - Static method in class org.RDKit.RDKFuncsJNI
 
new_RDProps__SWIG_0() - Static method in class org.RDKit.RDKFuncsJNI
 
new_RDProps__SWIG_1(long, RDProps) - Static method in class org.RDKit.RDKFuncsJNI
 
new_ReactionFingerprintParams__SWIG_0() - Static method in class org.RDKit.RDKFuncsJNI
 
new_ReactionFingerprintParams__SWIG_1(boolean, double, long, int, long, int) - Static method in class org.RDKit.RDKFuncsJNI
 
new_RecursiveStructureQuery__SWIG_0() - Static method in class org.RDKit.RDKFuncsJNI
 
new_RecursiveStructureQuery__SWIG_1(long, ROMol, long) - Static method in class org.RDKit.RDKFuncsJNI
 
new_RecursiveStructureQuery__SWIG_2(long, ROMol) - Static method in class org.RDKit.RDKFuncsJNI
 
new_ResonanceMolSupplier__SWIG_0(long, ROMol, long, long) - Static method in class org.RDKit.RDKFuncsJNI
 
new_ResonanceMolSupplier__SWIG_1(long, ROMol, long) - Static method in class org.RDKit.RDKFuncsJNI
 
new_ResonanceMolSupplier__SWIG_2(long, ROMol) - Static method in class org.RDKit.RDKFuncsJNI
 
new_RGroupDecomposition__SWIG_0(long, ROMol, long, RGroupDecompositionParameters) - Static method in class org.RDKit.RDKFuncsJNI
 
new_RGroupDecomposition__SWIG_1(long, ROMol) - Static method in class org.RDKit.RDKFuncsJNI
 
new_RGroupDecomposition__SWIG_2(long, ROMol_Vect, long, RGroupDecompositionParameters) - Static method in class org.RDKit.RDKFuncsJNI
 
new_RGroupDecomposition__SWIG_3(long, ROMol_Vect) - Static method in class org.RDKit.RDKFuncsJNI
 
new_RGroupDecompositionParameters__SWIG_0(long, long, long, long, long, boolean, boolean, boolean) - Static method in class org.RDKit.RDKFuncsJNI
 
new_RGroupDecompositionParameters__SWIG_1(long, long, long, long, long, boolean, boolean) - Static method in class org.RDKit.RDKFuncsJNI
 
new_RGroupDecompositionParameters__SWIG_2(long, long, long, long, long, boolean) - Static method in class org.RDKit.RDKFuncsJNI
 
new_RGroupDecompositionParameters__SWIG_3(long, long, long, long, long) - Static method in class org.RDKit.RDKFuncsJNI
 
new_RGroupDecompositionParameters__SWIG_4(long, long, long, long) - Static method in class org.RDKit.RDKFuncsJNI
 
new_RGroupDecompositionParameters__SWIG_5(long, long, long) - Static method in class org.RDKit.RDKFuncsJNI
 
new_RGroupDecompositionParameters__SWIG_6(long, long) - Static method in class org.RDKit.RDKFuncsJNI
 
new_RGroupDecompositionParameters__SWIG_7(long) - Static method in class org.RDKit.RDKFuncsJNI
 
new_RGroupDecompositionParameters__SWIG_8() - Static method in class org.RDKit.RDKFuncsJNI
 
new_RingInfo__SWIG_0() - Static method in class org.RDKit.RDKFuncsJNI
 
new_RingInfo__SWIG_1(long, RingInfo) - Static method in class org.RDKit.RDKFuncsJNI
 
new_ROMol__SWIG_0() - Static method in class org.RDKit.RDKFuncsJNI
 
new_ROMol__SWIG_1(long, ROMol, boolean, int) - Static method in class org.RDKit.RDKFuncsJNI
 
new_ROMol__SWIG_2(long, ROMol, boolean) - Static method in class org.RDKit.RDKFuncsJNI
 
new_ROMol__SWIG_3(long, ROMol) - Static method in class org.RDKit.RDKFuncsJNI
 
new_ROMol__SWIG_4(String) - Static method in class org.RDKit.RDKFuncsJNI
 
new_ROMol_Vect__SWIG_0() - Static method in class org.RDKit.RDKFuncsJNI
 
new_ROMol_Vect__SWIG_1(long) - Static method in class org.RDKit.RDKFuncsJNI
 
new_ROMol_Vect_Vect__SWIG_0() - Static method in class org.RDKit.RDKFuncsJNI
 
new_ROMol_Vect_Vect__SWIG_1(long) - Static method in class org.RDKit.RDKFuncsJNI
 
new_RWMol__SWIG_0() - Static method in class org.RDKit.RDKFuncsJNI
 
new_RWMol__SWIG_1(long, ROMol, boolean, int) - Static method in class org.RDKit.RDKFuncsJNI
 
new_RWMol__SWIG_2(long, ROMol, boolean) - Static method in class org.RDKit.RDKFuncsJNI
 
new_RWMol__SWIG_3(long, ROMol) - Static method in class org.RDKit.RDKFuncsJNI
 
new_RWMol__SWIG_4(long, RWMol) - Static method in class org.RDKit.RDKFuncsJNI
 
new_SDMolSupplier__SWIG_0() - Static method in class org.RDKit.RDKFuncsJNI
 
new_SDMolSupplier__SWIG_1(String, boolean, boolean, boolean) - Static method in class org.RDKit.RDKFuncsJNI
 
new_SDMolSupplier__SWIG_2(String, boolean, boolean) - Static method in class org.RDKit.RDKFuncsJNI
 
new_SDMolSupplier__SWIG_3(String, boolean) - Static method in class org.RDKit.RDKFuncsJNI
 
new_SDMolSupplier__SWIG_4(String) - Static method in class org.RDKit.RDKFuncsJNI
 
new_SDMolSupplier__SWIG_5(long, boolean, boolean, boolean, boolean) - Static method in class org.RDKit.RDKFuncsJNI
 
new_SDMolSupplier__SWIG_6(long, boolean, boolean, boolean) - Static method in class org.RDKit.RDKFuncsJNI
 
new_SDMolSupplier__SWIG_7(long, boolean, boolean) - Static method in class org.RDKit.RDKFuncsJNI
 
new_SDMolSupplier__SWIG_8(long, boolean) - Static method in class org.RDKit.RDKFuncsJNI
 
new_SDMolSupplier__SWIG_9(long) - Static method in class org.RDKit.RDKFuncsJNI
 
new_SDWriter__SWIG_0(String) - Static method in class org.RDKit.RDKFuncsJNI
 
new_SDWriter__SWIG_1(long, boolean) - Static method in class org.RDKit.RDKFuncsJNI
 
new_SDWriter__SWIG_2(long) - Static method in class org.RDKit.RDKFuncsJNI
 
new_Shared_Double_Array() - Static method in class org.RDKit.RDKFuncsJNI
 
new_Shared_Int_Array() - Static method in class org.RDKit.RDKFuncsJNI
 
new_SmilesMolSupplier__SWIG_0(String, String, int, int, boolean, boolean) - Static method in class org.RDKit.RDKFuncsJNI
 
new_SmilesMolSupplier__SWIG_1(String, String, int, int, boolean) - Static method in class org.RDKit.RDKFuncsJNI
 
new_SmilesMolSupplier__SWIG_10(long, boolean, String, int) - Static method in class org.RDKit.RDKFuncsJNI
 
new_SmilesMolSupplier__SWIG_11(long, boolean, String) - Static method in class org.RDKit.RDKFuncsJNI
 
new_SmilesMolSupplier__SWIG_12(long, boolean) - Static method in class org.RDKit.RDKFuncsJNI
 
new_SmilesMolSupplier__SWIG_13(long) - Static method in class org.RDKit.RDKFuncsJNI
 
new_SmilesMolSupplier__SWIG_2(String, String, int, int) - Static method in class org.RDKit.RDKFuncsJNI
 
new_SmilesMolSupplier__SWIG_3(String, String, int) - Static method in class org.RDKit.RDKFuncsJNI
 
new_SmilesMolSupplier__SWIG_4(String, String) - Static method in class org.RDKit.RDKFuncsJNI
 
new_SmilesMolSupplier__SWIG_5(String) - Static method in class org.RDKit.RDKFuncsJNI
 
new_SmilesMolSupplier__SWIG_6() - Static method in class org.RDKit.RDKFuncsJNI
 
new_SmilesMolSupplier__SWIG_7(long, boolean, String, int, int, boolean, boolean) - Static method in class org.RDKit.RDKFuncsJNI
 
new_SmilesMolSupplier__SWIG_8(long, boolean, String, int, int, boolean) - Static method in class org.RDKit.RDKFuncsJNI
 
new_SmilesMolSupplier__SWIG_9(long, boolean, String, int, int) - Static method in class org.RDKit.RDKFuncsJNI
 
new_SmilesParseException__SWIG_0(String) - Static method in class org.RDKit.RDKFuncsJNI
 
new_SmilesParserParams() - Static method in class org.RDKit.RDKFuncsJNI
 
new_SmilesWriter__SWIG_0(String, String, String, boolean, boolean, boolean) - Static method in class org.RDKit.RDKFuncsJNI
 
new_SmilesWriter__SWIG_1(String, String, String, boolean, boolean) - Static method in class org.RDKit.RDKFuncsJNI
 
new_SmilesWriter__SWIG_10(long, String, String) - Static method in class org.RDKit.RDKFuncsJNI
 
new_SmilesWriter__SWIG_11(long, String) - Static method in class org.RDKit.RDKFuncsJNI
 
new_SmilesWriter__SWIG_12(long) - Static method in class org.RDKit.RDKFuncsJNI
 
new_SmilesWriter__SWIG_2(String, String, String, boolean) - Static method in class org.RDKit.RDKFuncsJNI
 
new_SmilesWriter__SWIG_3(String, String, String) - Static method in class org.RDKit.RDKFuncsJNI
 
new_SmilesWriter__SWIG_4(String, String) - Static method in class org.RDKit.RDKFuncsJNI
 
new_SmilesWriter__SWIG_5(String) - Static method in class org.RDKit.RDKFuncsJNI
 
new_SmilesWriter__SWIG_6(long, String, String, boolean, boolean, boolean, boolean) - Static method in class org.RDKit.RDKFuncsJNI
 
new_SmilesWriter__SWIG_7(long, String, String, boolean, boolean, boolean) - Static method in class org.RDKit.RDKFuncsJNI
 
new_SmilesWriter__SWIG_8(long, String, String, boolean, boolean) - Static method in class org.RDKit.RDKFuncsJNI
 
new_SmilesWriter__SWIG_9(long, String, String, boolean) - Static method in class org.RDKit.RDKFuncsJNI
 
new_Snapshot__SWIG_0(long, Shared_Double_Array, double) - Static method in class org.RDKit.RDKFuncsJNI
 
new_Snapshot__SWIG_1(long, Shared_Double_Array) - Static method in class org.RDKit.RDKFuncsJNI
 
new_Snapshot__SWIG_2(long, Double_Vect, double) - Static method in class org.RDKit.RDKFuncsJNI
 
new_Snapshot__SWIG_3(long, Double_Vect) - Static method in class org.RDKit.RDKFuncsJNI
 
new_Snapshot__SWIG_4(long, Snapshot) - Static method in class org.RDKit.RDKFuncsJNI
 
new_SparseIntVect32__SWIG_0() - Static method in class org.RDKit.RDKFuncsJNI
 
new_SparseIntVect32__SWIG_1(int) - Static method in class org.RDKit.RDKFuncsJNI
 
new_SparseIntVect32__SWIG_2(long, SparseIntVect32) - Static method in class org.RDKit.RDKFuncsJNI
 
new_SparseIntVect32__SWIG_3(String) - Static method in class org.RDKit.RDKFuncsJNI
 
new_SparseIntVect32__SWIG_4(String, long) - Static method in class org.RDKit.RDKFuncsJNI
 
new_SparseIntVect64__SWIG_0() - Static method in class org.RDKit.RDKFuncsJNI
 
new_SparseIntVect64__SWIG_1(long) - Static method in class org.RDKit.RDKFuncsJNI
 
new_SparseIntVect64__SWIG_2(long, SparseIntVect64) - Static method in class org.RDKit.RDKFuncsJNI
 
new_SparseIntVect64__SWIG_3(String) - Static method in class org.RDKit.RDKFuncsJNI
 
new_SparseIntVect64__SWIG_4(String, long) - Static method in class org.RDKit.RDKFuncsJNI
 
new_SparseIntVectu32__SWIG_0() - Static method in class org.RDKit.RDKFuncsJNI
 
new_SparseIntVectu32__SWIG_1(long) - Static method in class org.RDKit.RDKFuncsJNI
 
new_SparseIntVectu32__SWIG_2(long, SparseIntVectu32) - Static method in class org.RDKit.RDKFuncsJNI
 
new_SparseIntVectu32__SWIG_3(String) - Static method in class org.RDKit.RDKFuncsJNI
 
new_SparseIntVectu32__SWIG_4(String, long) - Static method in class org.RDKit.RDKFuncsJNI
 
new_ss_matcher__SWIG_0() - Static method in class org.RDKit.RDKFuncsJNI
 
new_ss_matcher__SWIG_1(String) - Static method in class org.RDKit.RDKFuncsJNI
 
new_StereoGroup__SWIG_0() - Static method in class org.RDKit.RDKFuncsJNI
 
new_StereoGroup__SWIG_1(int, long, Atom_Vect) - Static method in class org.RDKit.RDKFuncsJNI
 
new_StereoGroup_Vect__SWIG_0() - Static method in class org.RDKit.RDKFuncsJNI
 
new_StereoGroup_Vect__SWIG_1(long) - Static method in class org.RDKit.RDKFuncsJNI
 
new_Str_Vect__SWIG_0() - Static method in class org.RDKit.RDKFuncsJNI
 
new_Str_Vect__SWIG_1(long) - Static method in class org.RDKit.RDKFuncsJNI
 
new_String_String_Map__SWIG_0() - Static method in class org.RDKit.RDKFuncsJNI
 
new_String_String_Map__SWIG_1(long, String_String_Map) - Static method in class org.RDKit.RDKFuncsJNI
 
new_StringInt_Pair__SWIG_0() - Static method in class org.RDKit.RDKFuncsJNI
 
new_StringInt_Pair__SWIG_1(String, int) - Static method in class org.RDKit.RDKFuncsJNI
 
new_StringInt_Pair__SWIG_2(long, StringInt_Pair) - Static method in class org.RDKit.RDKFuncsJNI
 
new_StringMolMap__SWIG_0() - Static method in class org.RDKit.RDKFuncsJNI
 
new_StringMolMap__SWIG_1(long, StringMolMap) - Static method in class org.RDKit.RDKFuncsJNI
 
new_StringMolMap_Vect__SWIG_0() - Static method in class org.RDKit.RDKFuncsJNI
 
new_StringMolMap_Vect__SWIG_1(long) - Static method in class org.RDKit.RDKFuncsJNI
 
new_StringROMol_VectMap__SWIG_0() - Static method in class org.RDKit.RDKFuncsJNI
 
new_StringROMol_VectMap__SWIG_1(long, StringROMol_VectMap) - Static method in class org.RDKit.RDKFuncsJNI
 
new_SubstructLibrary__SWIG_0() - Static method in class org.RDKit.RDKFuncsJNI
 
new_SubstructLibrary__SWIG_1(long, MolHolderBase) - Static method in class org.RDKit.RDKFuncsJNI
 
new_SubstructLibrary__SWIG_2(long, MolHolderBase, long, FPHolderBase) - Static method in class org.RDKit.RDKFuncsJNI
 
new_SubstructLibrary__SWIG_3(String) - Static method in class org.RDKit.RDKFuncsJNI
 
new_SubstructLibrary__SWIG_4(long, UChar_Vect) - Static method in class org.RDKit.RDKFuncsJNI
 
new_SubstructMatchParameters() - Static method in class org.RDKit.RDKFuncsJNI
 
new_TDTMolSupplier__SWIG_0(String, String, int, int, boolean) - Static method in class org.RDKit.RDKFuncsJNI
 
new_TDTMolSupplier__SWIG_1(String, String, int, int) - Static method in class org.RDKit.RDKFuncsJNI
 
new_TDTMolSupplier__SWIG_10(long) - Static method in class org.RDKit.RDKFuncsJNI
 
new_TDTMolSupplier__SWIG_11() - Static method in class org.RDKit.RDKFuncsJNI
 
new_TDTMolSupplier__SWIG_2(String, String, int) - Static method in class org.RDKit.RDKFuncsJNI
 
new_TDTMolSupplier__SWIG_3(String, String) - Static method in class org.RDKit.RDKFuncsJNI
 
new_TDTMolSupplier__SWIG_4(String) - Static method in class org.RDKit.RDKFuncsJNI
 
new_TDTMolSupplier__SWIG_5(long, boolean, String, int, int, boolean) - Static method in class org.RDKit.RDKFuncsJNI
 
new_TDTMolSupplier__SWIG_6(long, boolean, String, int, int) - Static method in class org.RDKit.RDKFuncsJNI
 
new_TDTMolSupplier__SWIG_7(long, boolean, String, int) - Static method in class org.RDKit.RDKFuncsJNI
 
new_TDTMolSupplier__SWIG_8(long, boolean, String) - Static method in class org.RDKit.RDKFuncsJNI
 
new_TDTMolSupplier__SWIG_9(long, boolean) - Static method in class org.RDKit.RDKFuncsJNI
 
new_TDTWriter__SWIG_0(String) - Static method in class org.RDKit.RDKFuncsJNI
 
new_TDTWriter__SWIG_1(long, boolean) - Static method in class org.RDKit.RDKFuncsJNI
 
new_TDTWriter__SWIG_2(long) - Static method in class org.RDKit.RDKFuncsJNI
 
new_TorsionAngleContrib__SWIG_0() - Static method in class org.RDKit.RDKFuncsJNI
 
new_TorsionAngleContrib__SWIG_1(long, ForceField, long, long, long, long, double, int, int, int, int, long, AtomicParams, long, AtomicParams, boolean) - Static method in class org.RDKit.RDKFuncsJNI
 
new_TorsionAngleContrib__SWIG_2(long, ForceField, long, long, long, long, double, int, int, int, int, long, AtomicParams, long, AtomicParams) - Static method in class org.RDKit.RDKFuncsJNI
 
new_Trajectory__SWIG_0(long, long, long) - Static method in class org.RDKit.RDKFuncsJNI
 
new_Trajectory__SWIG_1(long, long) - Static method in class org.RDKit.RDKFuncsJNI
 
new_Trajectory__SWIG_2(long, Trajectory) - Static method in class org.RDKit.RDKFuncsJNI
 
new_Transform2D() - Static method in class org.RDKit.RDKFuncsJNI
 
new_Transform3D() - Static method in class org.RDKit.RDKFuncsJNI
 
new_UChar_Vect__SWIG_0() - Static method in class org.RDKit.RDKFuncsJNI
 
new_UChar_Vect__SWIG_1(long) - Static method in class org.RDKit.RDKFuncsJNI
 
new_UFFAngle() - Static method in class org.RDKit.RDKFuncsJNI
 
new_UFFBond() - Static method in class org.RDKit.RDKFuncsJNI
 
new_UFFInv() - Static method in class org.RDKit.RDKFuncsJNI
 
new_UFFTor() - Static method in class org.RDKit.RDKFuncsJNI
 
new_UFFVdW() - Static method in class org.RDKit.RDKFuncsJNI
 
new_UInt_List() - Static method in class org.RDKit.RDKFuncsJNI
 
new_UInt_Pair__SWIG_0() - Static method in class org.RDKit.RDKFuncsJNI
 
new_UInt_Pair__SWIG_1(long, int) - Static method in class org.RDKit.RDKFuncsJNI
 
new_UInt_Pair__SWIG_2(long, UInt_Pair) - Static method in class org.RDKit.RDKFuncsJNI
 
new_UInt_Pair_Vect__SWIG_0() - Static method in class org.RDKit.RDKFuncsJNI
 
new_UInt_Pair_Vect__SWIG_1(long) - Static method in class org.RDKit.RDKFuncsJNI
 
new_UInt_Vect__SWIG_0() - Static method in class org.RDKit.RDKFuncsJNI
 
new_UInt_Vect__SWIG_1(long) - Static method in class org.RDKit.RDKFuncsJNI
 
new_UIntMolMap__SWIG_0() - Static method in class org.RDKit.RDKFuncsJNI
 
new_UIntMolMap__SWIG_1(long, UIntMolMap) - Static method in class org.RDKit.RDKFuncsJNI
 
new_UIntPair__SWIG_0() - Static method in class org.RDKit.RDKFuncsJNI
 
new_UIntPair__SWIG_1(long, long) - Static method in class org.RDKit.RDKFuncsJNI
 
new_UIntPair__SWIG_2(long, UIntPair) - Static method in class org.RDKit.RDKFuncsJNI
 
new_UIntPairVect__SWIG_0() - Static method in class org.RDKit.RDKFuncsJNI
 
new_UIntPairVect__SWIG_1(long) - Static method in class org.RDKit.RDKFuncsJNI
 
new_ValueErrorException__SWIG_0(String) - Static method in class org.RDKit.RDKFuncsJNI
 
new_vdWContrib__SWIG_0() - Static method in class org.RDKit.RDKFuncsJNI
 
new_vdWContrib__SWIG_1(long, ForceField, long, long, long, AtomicParams, long, AtomicParams, double) - Static method in class org.RDKit.RDKFuncsJNI
 
new_vdWContrib__SWIG_2(long, ForceField, long, long, long, AtomicParams, long, AtomicParams) - Static method in class org.RDKit.RDKFuncsJNI
 
next() - Method in class org.RDKit.AromaticAtomIterator
 
next(int) - Method in class org.RDKit.AromaticAtomIterator
 
next() - Method in class org.RDKit.AtomIterator
 
next(int) - Method in class org.RDKit.AtomIterator
 
next() - Method in class org.RDKit.BondIterator
 
next(int) - Method in class org.RDKit.BondIterator
 
next() - Method in class org.RDKit.ConstBondIterator
 
next(int) - Method in class org.RDKit.ConstBondIterator
 
next() - Method in class org.RDKit.ForwardSDMolSupplier
 
next() - Method in class org.RDKit.HeteroatomIterator
 
next(int) - Method in class org.RDKit.HeteroatomIterator
 
next() - Method in class org.RDKit.MolSupplier
 
next() - Method in class org.RDKit.PDBMolSupplier
 
next() - Method in class org.RDKit.QueryAtomIterator
 
next(int) - Method in class org.RDKit.QueryAtomIterator
 
next() - Method in class org.RDKit.ResonanceMolSupplier
 
next() - Method in class org.RDKit.SDMolSupplier
 
next() - Method in class org.RDKit.SmilesMolSupplier
 
next() - Method in class org.RDKit.TDTMolSupplier
 
nextCombination(Int_Vect, int) - Static method in class org.RDKit.RDKFuncs
 
nextCombination(long, Int_Vect, int) - Static method in class org.RDKit.RDKFuncsJNI
 
None_get() - Static method in class org.RDKit.RDKFuncsJNI
 
NonStrict_get() - Static method in class org.RDKit.RDKFuncsJNI
 
NoProps - Static variable in class org.RDKit.PropertyPickleOptions
 
NoProps_get() - Static method in class org.RDKit.RDKFuncsJNI
 
normalize() - Method in class org.RDKit.Point
 
normalize() - Method in class org.RDKit.Point2D
 
normalize() - Method in class org.RDKit.Point3D
 
normalize() - Method in class org.RDKit.PointND
 
normalize(RWMol, CleanupParameters) - Static method in class org.RDKit.RDKFuncs
 
normalize(RWMol) - Static method in class org.RDKit.RDKFuncs
 
normalize__SWIG_0(long, RWMol, long, CleanupParameters) - Static method in class org.RDKit.RDKFuncsJNI
 
normalize__SWIG_1(long, RWMol) - Static method in class org.RDKit.RDKFuncsJNI
 
normalizeAngleDeg(SWIGTYPE_p_double) - Static method in class org.RDKit.RDKFuncs
 
normalizeAngleDeg(long) - Static method in class org.RDKit.RDKFuncsJNI
 
NullBond_get() - Static method in class org.RDKit.RDKFuncsJNI
 
NumAliphaticCarbocyclesVersion_get() - Static method in class org.RDKit.RDKFuncsJNI
 
NumAliphaticHeterocyclesVersion_get() - Static method in class org.RDKit.RDKFuncsJNI
 
NumAliphaticRingsVersion_get() - Static method in class org.RDKit.RDKFuncsJNI
 
NumAmideBondsVersion_get() - Static method in class org.RDKit.RDKFuncsJNI
 
numArom_get() - Static method in class org.RDKit.RDKFuncsJNI
 
NumAromaticCarbocyclesVersion_get() - Static method in class org.RDKit.RDKFuncsJNI
 
NumAromaticHeterocyclesVersion_get() - Static method in class org.RDKit.RDKFuncsJNI
 
NumAromaticRingsVersion_get() - Static method in class org.RDKit.RDKFuncsJNI
 
numAtomPairFingerprintBits_get() - Static method in class org.RDKit.RDKFuncsJNI
 
numAtomRings(long) - Method in class org.RDKit.RingInfo
numAtomStereoCenters(ROMol) - Static method in class org.RDKit.RDKFuncs
 
numAtomStereoCenters(long, ROMol) - Static method in class org.RDKit.RDKFuncsJNI
 
NumAtomStereoCentersVersion_get() - Static method in class org.RDKit.RDKFuncsJNI
 
NumBitsInCommon(ExplicitBitVect, ExplicitBitVect) - Static method in class org.RDKit.RDKFuncs
 
NumBitsInCommon(long, ExplicitBitVect, long, ExplicitBitVect) - Static method in class org.RDKit.RDKFuncsJNI
 
numBondRings(long) - Method in class org.RDKit.RingInfo
numBondsPlusLonePairs() - Method in class org.RDKit.Atom
 
numBranchBits_get() - Static method in class org.RDKit.RDKFuncsJNI
 
NumBridgeheadAtomsVersion_get() - Static method in class org.RDKit.RDKFuncsJNI
 
numChiralBits_get() - Static method in class org.RDKit.RDKFuncsJNI
 
numCols() - Method in class org.RDKit.DoubleMatrix
 
numCols() - Method in class org.RDKit.DoubleSymmMatrix
 
numCols() - Method in class org.RDKit.IntMatrix
 
numCols() - Method in class org.RDKit.IntSymmMatrix
 
NumHBAVersion_get() - Static method in class org.RDKit.RDKFuncsJNI
 
NumHBDVersion_get() - Static method in class org.RDKit.RDKFuncsJNI
 
NumHeteroatomsVersion_get() - Static method in class org.RDKit.RDKFuncsJNI
 
NumHeterocyclesVersion_get() - Static method in class org.RDKit.RDKFuncsJNI
 
numMols() - Method in class org.RDKit.MolWriter
 
numMols() - Method in class org.RDKit.PDBWriter
 
numMols() - Method in class org.RDKit.SDWriter
 
numMols() - Method in class org.RDKit.SmilesWriter
 
numMols() - Method in class org.RDKit.TDTWriter
 
NumOnBitsInCommon(ExplicitBitVect, ExplicitBitVect) - Static method in class org.RDKit.RDKFuncs
 
NumOnBitsInCommon(long, ExplicitBitVect, long, ExplicitBitVect) - Static method in class org.RDKit.RDKFuncsJNI
 
NumOuterShellElec() - Method in class org.RDKit.atomicData
 
numPathBits_get() - Static method in class org.RDKit.RDKFuncsJNI
 
numPiBits_get() - Static method in class org.RDKit.RDKFuncsJNI
 
numPoints() - Method in class org.RDKit.ForceField
 
numPoints() - Method in class org.RDKit.Trajectory
 
numRings() - Method in class org.RDKit.RingInfo
NumRingsVersion_get() - Static method in class org.RDKit.RDKFuncsJNI
 
NumRotatableBondsOptions - Enum in org.RDKit
 
NumRotatableBondsVersion_get() - Static method in class org.RDKit.RDKFuncsJNI
 
numRows() - Method in class org.RDKit.DoubleMatrix
 
numRows() - Method in class org.RDKit.DoubleSymmMatrix
 
numRows() - Method in class org.RDKit.IntMatrix
 
numRows() - Method in class org.RDKit.IntSymmMatrix
 
NumSaturatedCarbocyclesVersion_get() - Static method in class org.RDKit.RDKFuncsJNI
 
NumSaturatedHeterocyclesVersion_get() - Static method in class org.RDKit.RDKFuncsJNI
 
NumSaturatedRingsVersion_get() - Static method in class org.RDKit.RDKFuncsJNI
 
NumSpiroAtomsVersion_get() - Static method in class org.RDKit.RDKFuncsJNI
 
numTypeBits_get() - Static method in class org.RDKit.RDKFuncsJNI
 
numUnspecifiedAtomStereoCenters(ROMol) - Static method in class org.RDKit.RDKFuncs
 
numUnspecifiedAtomStereoCenters(long, ROMol) - Static method in class org.RDKit.RDKFuncsJNI
 
NumUnspecifiedAtomStereoCentersVersion_get() - Static method in class org.RDKit.RDKFuncsJNI
 
NumValence() - Method in class org.RDKit.atomicData
 

O

O3AAlignMol(ROMol, int, int, boolean, long, long) - Method in class org.RDKit.ROMol
 
O3AAlignMol(ROMol, int, int, boolean, long) - Method in class org.RDKit.ROMol
 
O3AAlignMol(ROMol, int, int, boolean) - Method in class org.RDKit.ROMol
 
O3AAlignMol(ROMol, int, int) - Method in class org.RDKit.ROMol
 
O3AAlignMol(ROMol, int) - Method in class org.RDKit.ROMol
 
O3AAlignMol(ROMol) - Method in class org.RDKit.ROMol
 
OffBitProjSimilarity(ExplicitBitVect, ExplicitBitVect) - Static method in class org.RDKit.RDKFuncs
 
OffBitProjSimilarity(long, ExplicitBitVect, long, ExplicitBitVect) - Static method in class org.RDKit.RDKFuncsJNI
 
OffBitsInCommon(ExplicitBitVect, ExplicitBitVect) - Static method in class org.RDKit.RDKFuncs
 
OffBitsInCommon(long, ExplicitBitVect, long, ExplicitBitVect) - Static method in class org.RDKit.RDKFuncsJNI
 
offset() - Method in class org.RDKit.MolDraw2D
 
OnBitProjSimilarity(ExplicitBitVect, ExplicitBitVect) - Static method in class org.RDKit.RDKFuncs
 
OnBitProjSimilarity(long, ExplicitBitVect, long, ExplicitBitVect) - Static method in class org.RDKit.RDKFuncsJNI
 
OnBitSimilarity(ExplicitBitVect, ExplicitBitVect) - Static method in class org.RDKit.RDKFuncs
 
OnBitSimilarity(long, ExplicitBitVect, long, ExplicitBitVect) - Static method in class org.RDKit.RDKFuncsJNI
 
OnBitsInCommon(ExplicitBitVect, ExplicitBitVect) - Static method in class org.RDKit.RDKFuncs
 
OnBitsInCommon(long, ExplicitBitVect, long, ExplicitBitVect) - Static method in class org.RDKit.RDKFuncsJNI
 
org.RDKit - package org.RDKit
 
origNoImplicit_get() - Static method in class org.RDKit.RDKFuncsJNI
 

P

panelHeight() - Method in class org.RDKit.MolDraw2D
 
panelWidth() - Method in class org.RDKit.MolDraw2D
 
ParamCollection - Class in org.RDKit
 
ParamCollection(long, boolean) - Constructor for class org.RDKit.ParamCollection
 
ParamCollection_get(long, ParamCollection, String) - Static method in class org.RDKit.RDKFuncsJNI
 
ParamCollection_getParams__SWIG_0(String) - Static method in class org.RDKit.RDKFuncsJNI
 
ParamCollection_getParams__SWIG_1() - Static method in class org.RDKit.RDKFuncsJNI
 
parseAtomType(int, SWIGTYPE_p_int, SWIGTYPE_p_bool) - Static method in class org.RDKit.RDKFuncs
 
parseAtomType(int, long, long) - Static method in class org.RDKit.RDKFuncsJNI
 
parseMCSParametersJSON(String, SWIGTYPE_p_RDKit__MCSParameters) - Static method in class org.RDKit.RDKFuncs
 
parseMCSParametersJSON(String, long) - Static method in class org.RDKit.RDKFuncsJNI
 
parseQueryDefFile(String, StringMolMap, boolean, String, String, long, long) - Static method in class org.RDKit.RDKFuncs
 
parseQueryDefFile(String, StringMolMap, boolean, String, String, long) - Static method in class org.RDKit.RDKFuncs
 
parseQueryDefFile(String, StringMolMap, boolean, String, String) - Static method in class org.RDKit.RDKFuncs
 
parseQueryDefFile(String, StringMolMap, boolean, String) - Static method in class org.RDKit.RDKFuncs
 
parseQueryDefFile(String, StringMolMap, boolean) - Static method in class org.RDKit.RDKFuncs
 
parseQueryDefFile(String, StringMolMap) - Static method in class org.RDKit.RDKFuncs
 
parseQueryDefFile(SWIGTYPE_p_std__istream, StringMolMap, boolean, String, String, long, long) - Static method in class org.RDKit.RDKFuncs
 
parseQueryDefFile(SWIGTYPE_p_std__istream, StringMolMap, boolean, String, String, long) - Static method in class org.RDKit.RDKFuncs
 
parseQueryDefFile(SWIGTYPE_p_std__istream, StringMolMap, boolean, String, String) - Static method in class org.RDKit.RDKFuncs
 
parseQueryDefFile(SWIGTYPE_p_std__istream, StringMolMap, boolean, String) - Static method in class org.RDKit.RDKFuncs
 
parseQueryDefFile(SWIGTYPE_p_std__istream, StringMolMap, boolean) - Static method in class org.RDKit.RDKFuncs
 
parseQueryDefFile(SWIGTYPE_p_std__istream, StringMolMap) - Static method in class org.RDKit.RDKFuncs
 
parseQueryDefFile__SWIG_0(String, long, StringMolMap, boolean, String, String, long, long) - Static method in class org.RDKit.RDKFuncsJNI
 
parseQueryDefFile__SWIG_1(String, long, StringMolMap, boolean, String, String, long) - Static method in class org.RDKit.RDKFuncsJNI
 
parseQueryDefFile__SWIG_10(long, long, StringMolMap, boolean) - Static method in class org.RDKit.RDKFuncsJNI
 
parseQueryDefFile__SWIG_11(long, long, StringMolMap) - Static method in class org.RDKit.RDKFuncsJNI
 
parseQueryDefFile__SWIG_2(String, long, StringMolMap, boolean, String, String) - Static method in class org.RDKit.RDKFuncsJNI
 
parseQueryDefFile__SWIG_3(String, long, StringMolMap, boolean, String) - Static method in class org.RDKit.RDKFuncsJNI
 
parseQueryDefFile__SWIG_4(String, long, StringMolMap, boolean) - Static method in class org.RDKit.RDKFuncsJNI
 
parseQueryDefFile__SWIG_5(String, long, StringMolMap) - Static method in class org.RDKit.RDKFuncsJNI
 
parseQueryDefFile__SWIG_6(long, long, StringMolMap, boolean, String, String, long, long) - Static method in class org.RDKit.RDKFuncsJNI
 
parseQueryDefFile__SWIG_7(long, long, StringMolMap, boolean, String, String, long) - Static method in class org.RDKit.RDKFuncsJNI
 
parseQueryDefFile__SWIG_8(long, long, StringMolMap, boolean, String, String) - Static method in class org.RDKit.RDKFuncsJNI
 
parseQueryDefFile__SWIG_9(long, long, StringMolMap, boolean, String) - Static method in class org.RDKit.RDKFuncsJNI
 
parseQueryDefText(String, StringMolMap, boolean, String, String, long, long) - Static method in class org.RDKit.RDKFuncs
 
parseQueryDefText(String, StringMolMap, boolean, String, String, long) - Static method in class org.RDKit.RDKFuncs
 
parseQueryDefText(String, StringMolMap, boolean, String, String) - Static method in class org.RDKit.RDKFuncs
 
parseQueryDefText(String, StringMolMap, boolean, String) - Static method in class org.RDKit.RDKFuncs
 
parseQueryDefText(String, StringMolMap, boolean) - Static method in class org.RDKit.RDKFuncs
 
parseQueryDefText(String, StringMolMap) - Static method in class org.RDKit.RDKFuncs
 
parseQueryDefText__SWIG_0(String, long, StringMolMap, boolean, String, String, long, long) - Static method in class org.RDKit.RDKFuncsJNI
 
parseQueryDefText__SWIG_1(String, long, StringMolMap, boolean, String, String, long) - Static method in class org.RDKit.RDKFuncsJNI
 
parseQueryDefText__SWIG_2(String, long, StringMolMap, boolean, String, String) - Static method in class org.RDKit.RDKFuncsJNI
 
parseQueryDefText__SWIG_3(String, long, StringMolMap, boolean, String) - Static method in class org.RDKit.RDKFuncsJNI
 
parseQueryDefText__SWIG_4(String, long, StringMolMap, boolean) - Static method in class org.RDKit.RDKFuncsJNI
 
parseQueryDefText__SWIG_5(String, long, StringMolMap) - Static method in class org.RDKit.RDKFuncsJNI
 
passesFilter(long, ExplicitBitVect) - Method in class org.RDKit.FPHolderBase
 
pathToSubmol(ROMol, Int_Vect, boolean, Int_Int_Map) - Static method in class org.RDKit.RDKFuncs
 
pathToSubmol(ROMol, Int_Vect, boolean) - Static method in class org.RDKit.RDKFuncs
 
pathToSubmol(ROMol, Int_Vect) - Static method in class org.RDKit.RDKFuncs
 
pathToSubmol__SWIG_0(long, ROMol, long, Int_Vect, boolean, long, Int_Int_Map) - Static method in class org.RDKit.RDKFuncsJNI
 
pathToSubmol__SWIG_1(long, ROMol, long, Int_Vect, boolean) - Static method in class org.RDKit.RDKFuncsJNI
 
pathToSubmol__SWIG_2(long, ROMol, long, Int_Vect) - Static method in class org.RDKit.RDKFuncsJNI
 
PatternFingerprintMol(ROMol, long, UInt_Vect, ExplicitBitVect) - Static method in class org.RDKit.RDKFuncs
 
PatternFingerprintMol(ROMol, long, UInt_Vect) - Static method in class org.RDKit.RDKFuncs
 
PatternFingerprintMol(ROMol, long) - Static method in class org.RDKit.RDKFuncs
 
PatternFingerprintMol(ROMol) - Static method in class org.RDKit.RDKFuncs
 
PatternFingerprintMol__SWIG_0(long, ROMol, long, long, UInt_Vect, long, ExplicitBitVect) - Static method in class org.RDKit.RDKFuncsJNI
 
PatternFingerprintMol__SWIG_1(long, ROMol, long, long, UInt_Vect) - Static method in class org.RDKit.RDKFuncsJNI
 
PatternFingerprintMol__SWIG_2(long, ROMol, long) - Static method in class org.RDKit.RDKFuncsJNI
 
PatternFingerprintMol__SWIG_3(long, ROMol) - Static method in class org.RDKit.RDKFuncsJNI
 
PatternHolder - Class in org.RDKit
 
PatternHolder(long, boolean) - Constructor for class org.RDKit.PatternHolder
 
PatternHolder() - Constructor for class org.RDKit.PatternHolder
 
PatternHolder_makeFingerprint(long, PatternHolder, long, ROMol) - Static method in class org.RDKit.RDKFuncsJNI
 
PatternHolder_SWIGSmartPtrUpcast(long) - Static method in class org.RDKit.RDKFuncsJNI
 
PDBBlockToMol(String, boolean, boolean, long, boolean) - Static method in class org.RDKit.RDKFuncs
 
PDBBlockToMol(String, boolean, boolean, long) - Static method in class org.RDKit.RDKFuncs
 
PDBBlockToMol(String, boolean, boolean) - Static method in class org.RDKit.RDKFuncs
 
PDBBlockToMol(String, boolean) - Static method in class org.RDKit.RDKFuncs
 
PDBBlockToMol(String) - Static method in class org.RDKit.RDKFuncs
 
PDBBlockToMol__SWIG_0(String, boolean, boolean, long, boolean) - Static method in class org.RDKit.RDKFuncsJNI
 
PDBBlockToMol__SWIG_1(String, boolean, boolean, long) - Static method in class org.RDKit.RDKFuncsJNI
 
PDBBlockToMol__SWIG_2(String, boolean, boolean) - Static method in class org.RDKit.RDKFuncsJNI
 
PDBBlockToMol__SWIG_3(String, boolean) - Static method in class org.RDKit.RDKFuncsJNI
 
PDBBlockToMol__SWIG_4(String) - Static method in class org.RDKit.RDKFuncsJNI
 
PDBDataStreamToMol(SWIGTYPE_p_std__istream, boolean, boolean, long, boolean) - Static method in class org.RDKit.RDKFuncs
 
PDBDataStreamToMol(SWIGTYPE_p_std__istream, boolean, boolean, long) - Static method in class org.RDKit.RDKFuncs
 
PDBDataStreamToMol(SWIGTYPE_p_std__istream, boolean, boolean) - Static method in class org.RDKit.RDKFuncs
 
PDBDataStreamToMol(SWIGTYPE_p_std__istream, boolean) - Static method in class org.RDKit.RDKFuncs
 
PDBDataStreamToMol(SWIGTYPE_p_std__istream) - Static method in class org.RDKit.RDKFuncs
 
PDBDataStreamToMol__SWIG_0(long, boolean, boolean, long, boolean) - Static method in class org.RDKit.RDKFuncsJNI
 
PDBDataStreamToMol__SWIG_1(long, boolean, boolean, long) - Static method in class org.RDKit.RDKFuncsJNI
 
PDBDataStreamToMol__SWIG_2(long, boolean, boolean) - Static method in class org.RDKit.RDKFuncsJNI
 
PDBDataStreamToMol__SWIG_3(long, boolean) - Static method in class org.RDKit.RDKFuncsJNI
 
PDBDataStreamToMol__SWIG_4(long) - Static method in class org.RDKit.RDKFuncsJNI
 
PDBFileToMol(String, boolean, boolean, long, boolean) - Static method in class org.RDKit.RDKFuncs
 
PDBFileToMol(String, boolean, boolean, long) - Static method in class org.RDKit.RDKFuncs
 
PDBFileToMol(String, boolean, boolean) - Static method in class org.RDKit.RDKFuncs
 
PDBFileToMol(String, boolean) - Static method in class org.RDKit.RDKFuncs
 
PDBFileToMol(String) - Static method in class org.RDKit.RDKFuncs
 
PDBFileToMol__SWIG_0(String, boolean, boolean, long, boolean) - Static method in class org.RDKit.RDKFuncsJNI
 
PDBFileToMol__SWIG_1(String, boolean, boolean, long) - Static method in class org.RDKit.RDKFuncsJNI
 
PDBFileToMol__SWIG_2(String, boolean, boolean) - Static method in class org.RDKit.RDKFuncsJNI
 
PDBFileToMol__SWIG_3(String, boolean) - Static method in class org.RDKit.RDKFuncsJNI
 
PDBFileToMol__SWIG_4(String) - Static method in class org.RDKit.RDKFuncsJNI
 
PDBMolSupplier - Class in org.RDKit
 
PDBMolSupplier(long, boolean) - Constructor for class org.RDKit.PDBMolSupplier
 
PDBMolSupplier(SWIGTYPE_p_std__istream, boolean, boolean, boolean, long, boolean) - Constructor for class org.RDKit.PDBMolSupplier
 
PDBMolSupplier(SWIGTYPE_p_std__istream, boolean, boolean, boolean, long) - Constructor for class org.RDKit.PDBMolSupplier
 
PDBMolSupplier(SWIGTYPE_p_std__istream, boolean, boolean, boolean) - Constructor for class org.RDKit.PDBMolSupplier
 
PDBMolSupplier(SWIGTYPE_p_std__istream, boolean, boolean) - Constructor for class org.RDKit.PDBMolSupplier
 
PDBMolSupplier(SWIGTYPE_p_std__istream, boolean) - Constructor for class org.RDKit.PDBMolSupplier
 
PDBMolSupplier(SWIGTYPE_p_std__istream) - Constructor for class org.RDKit.PDBMolSupplier
 
PDBMolSupplier(String, boolean, boolean, long, boolean) - Constructor for class org.RDKit.PDBMolSupplier
 
PDBMolSupplier(String, boolean, boolean, long) - Constructor for class org.RDKit.PDBMolSupplier
 
PDBMolSupplier(String, boolean, boolean) - Constructor for class org.RDKit.PDBMolSupplier
 
PDBMolSupplier(String, boolean) - Constructor for class org.RDKit.PDBMolSupplier
 
PDBMolSupplier(String) - Constructor for class org.RDKit.PDBMolSupplier
 
PDBMolSupplier_atEnd(long, PDBMolSupplier) - Static method in class org.RDKit.RDKFuncsJNI
 
PDBMolSupplier_init(long, PDBMolSupplier) - Static method in class org.RDKit.RDKFuncsJNI
 
PDBMolSupplier_next(long, PDBMolSupplier) - Static method in class org.RDKit.RDKFuncsJNI
 
PDBMolSupplier_reset(long, PDBMolSupplier) - Static method in class org.RDKit.RDKFuncsJNI
 
PDBMolSupplier_SWIGUpcast(long) - Static method in class org.RDKit.RDKFuncsJNI
 
PDBWriter - Class in org.RDKit
 
PDBWriter(long, boolean) - Constructor for class org.RDKit.PDBWriter
 
PDBWriter(String, long) - Constructor for class org.RDKit.PDBWriter
 
PDBWriter(String) - Constructor for class org.RDKit.PDBWriter
 
PDBWriter(SWIGTYPE_p_std__ostream, boolean, long) - Constructor for class org.RDKit.PDBWriter
 
PDBWriter(SWIGTYPE_p_std__ostream, boolean) - Constructor for class org.RDKit.PDBWriter
 
PDBWriter(SWIGTYPE_p_std__ostream) - Constructor for class org.RDKit.PDBWriter
 
PDBWriter_close(long, PDBWriter) - Static method in class org.RDKit.RDKFuncsJNI
 
PDBWriter_flush(long, PDBWriter) - Static method in class org.RDKit.RDKFuncsJNI
 
PDBWriter_numMols(long, PDBWriter) - Static method in class org.RDKit.RDKFuncsJNI
 
PDBWriter_setProps(long, PDBWriter, long, Str_Vect) - Static method in class org.RDKit.RDKFuncsJNI
 
PDBWriter_SWIGUpcast(long) - Static method in class org.RDKit.RDKFuncsJNI
 
PDBWriter_write__SWIG_0(long, PDBWriter, long, ROMol, int) - Static method in class org.RDKit.RDKFuncsJNI
 
PDBWriter_write__SWIG_1(long, PDBWriter, long, ROMol) - Static method in class org.RDKit.RDKFuncsJNI
 
PeriodicTable - Class in org.RDKit
singleton class for retrieving information about atoms
PeriodicTable(long, boolean) - Constructor for class org.RDKit.PeriodicTable
 
PeriodicTable_getAbundanceForIsotope__SWIG_0(long, PeriodicTable, long, long) - Static method in class org.RDKit.RDKFuncsJNI
 
PeriodicTable_getAbundanceForIsotope__SWIG_1(long, PeriodicTable, String, long) - Static method in class org.RDKit.RDKFuncsJNI
 
PeriodicTable_getAtomicNumber__SWIG_0(long, PeriodicTable, String) - Static method in class org.RDKit.RDKFuncsJNI
 
PeriodicTable_getAtomicWeight__SWIG_0(long, PeriodicTable, long) - Static method in class org.RDKit.RDKFuncsJNI
 
PeriodicTable_getAtomicWeight__SWIG_1(long, PeriodicTable, String) - Static method in class org.RDKit.RDKFuncsJNI
 
PeriodicTable_getDefaultValence__SWIG_0(long, PeriodicTable, long) - Static method in class org.RDKit.RDKFuncsJNI
 
PeriodicTable_getDefaultValence__SWIG_1(long, PeriodicTable, String) - Static method in class org.RDKit.RDKFuncsJNI
 
PeriodicTable_getElementSymbol(long, PeriodicTable, long) - Static method in class org.RDKit.RDKFuncsJNI
 
PeriodicTable_getMassForIsotope__SWIG_0(long, PeriodicTable, long, long) - Static method in class org.RDKit.RDKFuncsJNI
 
PeriodicTable_getMassForIsotope__SWIG_1(long, PeriodicTable, String, long) - Static method in class org.RDKit.RDKFuncsJNI
 
PeriodicTable_getMostCommonIsotope__SWIG_0(long, PeriodicTable, long) - Static method in class org.RDKit.RDKFuncsJNI
 
PeriodicTable_getMostCommonIsotope__SWIG_1(long, PeriodicTable, String) - Static method in class org.RDKit.RDKFuncsJNI
 
PeriodicTable_getMostCommonIsotopeMass__SWIG_0(long, PeriodicTable, long) - Static method in class org.RDKit.RDKFuncsJNI
 
PeriodicTable_getMostCommonIsotopeMass__SWIG_1(long, PeriodicTable, String) - Static method in class org.RDKit.RDKFuncsJNI
 
PeriodicTable_getNouterElecs__SWIG_0(long, PeriodicTable, long) - Static method in class org.RDKit.RDKFuncsJNI
 
PeriodicTable_getNouterElecs__SWIG_1(long, PeriodicTable, String) - Static method in class org.RDKit.RDKFuncsJNI
 
PeriodicTable_getRb0__SWIG_0(long, PeriodicTable, long) - Static method in class org.RDKit.RDKFuncsJNI
 
PeriodicTable_getRb0__SWIG_1(long, PeriodicTable, String) - Static method in class org.RDKit.RDKFuncsJNI
 
PeriodicTable_getRcovalent__SWIG_0(long, PeriodicTable, long) - Static method in class org.RDKit.RDKFuncsJNI
 
PeriodicTable_getRcovalent__SWIG_1(long, PeriodicTable, String) - Static method in class org.RDKit.RDKFuncsJNI
 
PeriodicTable_getRvdw__SWIG_0(long, PeriodicTable, long) - Static method in class org.RDKit.RDKFuncsJNI
 
PeriodicTable_getRvdw__SWIG_1(long, PeriodicTable, String) - Static method in class org.RDKit.RDKFuncsJNI
 
PeriodicTable_getTable() - Static method in class org.RDKit.RDKFuncsJNI
 
PeriodicTable_getValenceList__SWIG_0(long, PeriodicTable, long) - Static method in class org.RDKit.RDKFuncsJNI
 
PeriodicTable_getValenceList__SWIG_1(long, PeriodicTable, String) - Static method in class org.RDKit.RDKFuncsJNI
 
PeriodicTable_moreElectroNegative(long, PeriodicTable, long, long) - Static method in class org.RDKit.RDKFuncsJNI
 
periodicTableAtomData_get() - Static method in class org.RDKit.RDKFuncsJNI
 
pickBondsToWedge() - Method in class org.RDKit.ROMol
 
pickFusedRings(int, Int_Int_Vect_Map, Int_Vect, SWIGTYPE_p_boost__dynamic_bitsetT_t, int) - Static method in class org.RDKit.RDKFuncs
 
pickFusedRings(int, Int_Int_Vect_Map, Int_Vect, SWIGTYPE_p_boost__dynamic_bitsetT_t) - Static method in class org.RDKit.RDKFuncs
 
pickFusedRings__SWIG_0(int, long, Int_Int_Vect_Map, long, Int_Vect, long, int) - Static method in class org.RDKit.RDKFuncsJNI
 
pickFusedRings__SWIG_1(int, long, Int_Int_Vect_Map, long, Int_Vect, long) - Static method in class org.RDKit.RDKFuncsJNI
 
pickRandomDistMat(BoundsMatrix, DoubleSymmMatrix, int) - Static method in class org.RDKit.RDKFuncs
 
pickRandomDistMat(BoundsMatrix, DoubleSymmMatrix) - Static method in class org.RDKit.RDKFuncs
 
pickRandomDistMat(BoundsMatrix, DoubleSymmMatrix, SWIGTYPE_p_RDKit__double_source_type) - Static method in class org.RDKit.RDKFuncs
 
pickRandomDistMat__SWIG_0(long, BoundsMatrix, long, DoubleSymmMatrix, int) - Static method in class org.RDKit.RDKFuncsJNI
 
pickRandomDistMat__SWIG_1(long, BoundsMatrix, long, DoubleSymmMatrix) - Static method in class org.RDKit.RDKFuncsJNI
 
pickRandomDistMat__SWIG_2(long, BoundsMatrix, long, DoubleSymmMatrix, long) - Static method in class org.RDKit.RDKFuncsJNI
 
pickUsingFingerprints(EBV_Vect, long, int, Int_Vect, boolean) - Static method in class org.RDKit.RDKFuncs
 
pickUsingFingerprints(EBV_Vect, long, int, Int_Vect) - Static method in class org.RDKit.RDKFuncs
 
pickUsingFingerprints(EBV_Vect, long, int) - Static method in class org.RDKit.RDKFuncs
 
pickUsingFingerprints(EBV_Vect, long) - Static method in class org.RDKit.RDKFuncs
 
pickUsingFingerprints__SWIG_0(long, EBV_Vect, long, int, long, Int_Vect, boolean) - Static method in class org.RDKit.RDKFuncsJNI
 
pickUsingFingerprints__SWIG_1(long, EBV_Vect, long, int, long, Int_Vect) - Static method in class org.RDKit.RDKFuncsJNI
 
pickUsingFingerprints__SWIG_2(long, EBV_Vect, long, int) - Static method in class org.RDKit.RDKFuncsJNI
 
pickUsingFingerprints__SWIG_3(long, EBV_Vect, long) - Static method in class org.RDKit.RDKFuncsJNI
 
Point - Class in org.RDKit
 
Point(long, boolean) - Constructor for class org.RDKit.Point
 
Point2D - Class in org.RDKit
 
Point2D(long, boolean) - Constructor for class org.RDKit.Point2D
 
Point2D() - Constructor for class org.RDKit.Point2D
 
Point2D(double, double) - Constructor for class org.RDKit.Point2D
 
Point2D(Point2D) - Constructor for class org.RDKit.Point2D
 
Point2D(Point3D) - Constructor for class org.RDKit.Point2D
 
Point2D_angleTo(long, Point2D, long, Point2D) - Static method in class org.RDKit.RDKFuncsJNI
 
Point2D_copy(long, Point2D) - Static method in class org.RDKit.RDKFuncsJNI
 
Point2D_dimension(long, Point2D) - Static method in class org.RDKit.RDKFuncsJNI
 
Point2D_directionVector(long, Point2D, long, Point2D) - Static method in class org.RDKit.RDKFuncsJNI
 
Point2D_dotProduct(long, Point2D, long, Point2D) - Static method in class org.RDKit.RDKFuncsJNI
 
Point2D_length(long, Point2D) - Static method in class org.RDKit.RDKFuncsJNI
 
Point2D_lengthSq(long, Point2D) - Static method in class org.RDKit.RDKFuncsJNI
 
Point2D_minus(long, Point2D, long, Point2D) - Static method in class org.RDKit.RDKFuncsJNI
 
Point2D_normalize(long, Point2D) - Static method in class org.RDKit.RDKFuncsJNI
 
Point2D_rotate90(long, Point2D) - Static method in class org.RDKit.RDKFuncsJNI
 
Point2D_signedAngleTo(long, Point2D, long, Point2D) - Static method in class org.RDKit.RDKFuncsJNI
 
Point2D_SWIGUpcast(long) - Static method in class org.RDKit.RDKFuncsJNI
 
Point2D_Vect - Class in org.RDKit
 
Point2D_Vect(long, boolean) - Constructor for class org.RDKit.Point2D_Vect
 
Point2D_Vect() - Constructor for class org.RDKit.Point2D_Vect
 
Point2D_Vect(long) - Constructor for class org.RDKit.Point2D_Vect
 
Point2D_Vect_add(long, Point2D_Vect, long, Point2D) - Static method in class org.RDKit.RDKFuncsJNI
 
Point2D_Vect_capacity(long, Point2D_Vect) - Static method in class org.RDKit.RDKFuncsJNI
 
Point2D_Vect_clear(long, Point2D_Vect) - Static method in class org.RDKit.RDKFuncsJNI
 
Point2D_Vect_equals(long, Point2D_Vect, long, Point2D_Vect) - Static method in class org.RDKit.RDKFuncsJNI
 
Point2D_Vect_get(long, Point2D_Vect, int) - Static method in class org.RDKit.RDKFuncsJNI
 
Point2D_Vect_isEmpty(long, Point2D_Vect) - Static method in class org.RDKit.RDKFuncsJNI
 
Point2D_Vect_reserve(long, Point2D_Vect, long) - Static method in class org.RDKit.RDKFuncsJNI
 
Point2D_Vect_set(long, Point2D_Vect, int, long, Point2D) - Static method in class org.RDKit.RDKFuncsJNI
 
Point2D_Vect_size(long, Point2D_Vect) - Static method in class org.RDKit.RDKFuncsJNI
 
Point2D_x_get(long, Point2D) - Static method in class org.RDKit.RDKFuncsJNI
 
Point2D_x_set(long, Point2D, double) - Static method in class org.RDKit.RDKFuncsJNI
 
Point2D_y_get(long, Point2D) - Static method in class org.RDKit.RDKFuncsJNI
 
Point2D_y_set(long, Point2D, double) - Static method in class org.RDKit.RDKFuncsJNI
 
Point3D - Class in org.RDKit
Class representing 3D point with x, y and z coordinates.
Point3D(long, boolean) - Constructor for class org.RDKit.Point3D
 
Point3D() - Constructor for class org.RDKit.Point3D
 
Point3D(double, double, double) - Constructor for class org.RDKit.Point3D
 
Point3D(Point3D) - Constructor for class org.RDKit.Point3D
 
Point3D_angleTo(long, Point3D, long, Point3D) - Static method in class org.RDKit.RDKFuncsJNI
 
Point3D_copy(long, Point3D) - Static method in class org.RDKit.RDKFuncsJNI
 
Point3D_crossProduct(long, Point3D, long, Point3D) - Static method in class org.RDKit.RDKFuncsJNI
 
Point3D_dimension(long, Point3D) - Static method in class org.RDKit.RDKFuncsJNI
 
Point3D_directionVector(long, Point3D, long, Point3D) - Static method in class org.RDKit.RDKFuncsJNI
 
Point3D_dotProduct(long, Point3D, long, Point3D) - Static method in class org.RDKit.RDKFuncsJNI
 
Point3D_getPerpendicular(long, Point3D) - Static method in class org.RDKit.RDKFuncsJNI
 
Point3D_length(long, Point3D) - Static method in class org.RDKit.RDKFuncsJNI
 
Point3D_lengthSq(long, Point3D) - Static method in class org.RDKit.RDKFuncsJNI
 
Point3D_minus(long, Point3D, long, Point3D) - Static method in class org.RDKit.RDKFuncsJNI
 
Point3D_normalize(long, Point3D) - Static method in class org.RDKit.RDKFuncsJNI
 
Point3D_signedAngleTo(long, Point3D, long, Point3D) - Static method in class org.RDKit.RDKFuncsJNI
 
Point3D_SWIGUpcast(long) - Static method in class org.RDKit.RDKFuncsJNI
 
Point3D_Vect - Class in org.RDKit
 
Point3D_Vect(long, boolean) - Constructor for class org.RDKit.Point3D_Vect
 
Point3D_Vect() - Constructor for class org.RDKit.Point3D_Vect
 
Point3D_Vect(long) - Constructor for class org.RDKit.Point3D_Vect
 
Point3D_Vect_add(long, Point3D_Vect, long, Point3D) - Static method in class org.RDKit.RDKFuncsJNI
 
Point3D_Vect_capacity(long, Point3D_Vect) - Static method in class org.RDKit.RDKFuncsJNI
 
Point3D_Vect_clear(long, Point3D_Vect) - Static method in class org.RDKit.RDKFuncsJNI
 
Point3D_Vect_equals(long, Point3D_Vect, long, Point3D_Vect) - Static method in class org.RDKit.RDKFuncsJNI
 
Point3D_Vect_get(long, Point3D_Vect, int) - Static method in class org.RDKit.RDKFuncsJNI
 
Point3D_Vect_isEmpty(long, Point3D_Vect) - Static method in class org.RDKit.RDKFuncsJNI
 
Point3D_Vect_reserve(long, Point3D_Vect, long) - Static method in class org.RDKit.RDKFuncsJNI
 
Point3D_Vect_set(long, Point3D_Vect, int, long, Point3D) - Static method in class org.RDKit.RDKFuncsJNI
 
Point3D_Vect_size(long, Point3D_Vect) - Static method in class org.RDKit.RDKFuncsJNI
 
Point3D_x_get(long, Point3D) - Static method in class org.RDKit.RDKFuncsJNI
 
Point3D_x_set(long, Point3D, double) - Static method in class org.RDKit.RDKFuncsJNI
 
Point3D_y_get(long, Point3D) - Static method in class org.RDKit.RDKFuncsJNI
 
Point3D_y_set(long, Point3D, double) - Static method in class org.RDKit.RDKFuncsJNI
 
Point3D_z_get(long, Point3D) - Static method in class org.RDKit.RDKFuncsJNI
 
Point3D_z_set(long, Point3D, double) - Static method in class org.RDKit.RDKFuncsJNI
 
Point_copy(long, Point) - Static method in class org.RDKit.RDKFuncsJNI
 
Point_dimension(long, Point) - Static method in class org.RDKit.RDKFuncsJNI
 
Point_length(long, Point) - Static method in class org.RDKit.RDKFuncsJNI
 
Point_lengthSq(long, Point) - Static method in class org.RDKit.RDKFuncsJNI
 
Point_normalize(long, Point) - Static method in class org.RDKit.RDKFuncsJNI
 
Point_Vect - Class in org.RDKit
 
Point_Vect(long, boolean) - Constructor for class org.RDKit.Point_Vect
 
Point_Vect() - Constructor for class org.RDKit.Point_Vect
 
Point_Vect(long) - Constructor for class org.RDKit.Point_Vect
 
Point_Vect_add(long, Point_Vect, long, Point) - Static method in class org.RDKit.RDKFuncsJNI
 
Point_Vect_capacity(long, Point_Vect) - Static method in class org.RDKit.RDKFuncsJNI
 
Point_Vect_clear(long, Point_Vect) - Static method in class org.RDKit.RDKFuncsJNI
 
Point_Vect_equals(long, Point_Vect, long, Point_Vect) - Static method in class org.RDKit.RDKFuncsJNI
 
Point_Vect_get(long, Point_Vect, int) - Static method in class org.RDKit.RDKFuncsJNI
 
Point_Vect_isEmpty(long, Point_Vect) - Static method in class org.RDKit.RDKFuncsJNI
 
Point_Vect_reserve(long, Point_Vect, long) - Static method in class org.RDKit.RDKFuncsJNI
 
Point_Vect_set(long, Point_Vect, int, long, Point) - Static method in class org.RDKit.RDKFuncsJNI
 
Point_Vect_size(long, Point_Vect) - Static method in class org.RDKit.RDKFuncsJNI
 
PointND - Class in org.RDKit
 
PointND(long, boolean) - Constructor for class org.RDKit.PointND
 
PointND(long) - Constructor for class org.RDKit.PointND
 
PointND(PointND) - Constructor for class org.RDKit.PointND
 
PointND_angleTo(long, PointND, long, PointND) - Static method in class org.RDKit.RDKFuncsJNI
 
PointND_copy(long, PointND) - Static method in class org.RDKit.RDKFuncsJNI
 
PointND_dimension(long, PointND) - Static method in class org.RDKit.RDKFuncsJNI
 
PointND_directionVector(long, PointND, long, PointND) - Static method in class org.RDKit.RDKFuncsJNI
 
PointND_dotProduct(long, PointND, long, PointND) - Static method in class org.RDKit.RDKFuncsJNI
 
PointND_length(long, PointND) - Static method in class org.RDKit.RDKFuncsJNI
 
PointND_lengthSq(long, PointND) - Static method in class org.RDKit.RDKFuncsJNI
 
PointND_normalize(long, PointND) - Static method in class org.RDKit.RDKFuncsJNI
 
PointND_SWIGUpcast(long) - Static method in class org.RDKit.RDKFuncsJNI
 
positions3D() - Method in class org.RDKit.ForceField
 
prepareAndDrawMolecule(MolDraw2D, ROMol, String, Int_Vect, Int_Vect, ColourPalette, ColourPalette, Int_Double_Map, int) - Static method in class org.RDKit.RDKFuncs
 
prepareAndDrawMolecule(MolDraw2D, ROMol, String, Int_Vect, Int_Vect, ColourPalette, ColourPalette, Int_Double_Map) - Static method in class org.RDKit.RDKFuncs
 
prepareAndDrawMolecule(MolDraw2D, ROMol, String, Int_Vect, Int_Vect, ColourPalette, ColourPalette) - Static method in class org.RDKit.RDKFuncs
 
prepareAndDrawMolecule(MolDraw2D, ROMol, String, Int_Vect, Int_Vect, ColourPalette) - Static method in class org.RDKit.RDKFuncs
 
prepareAndDrawMolecule(MolDraw2D, ROMol, String, Int_Vect, Int_Vect) - Static method in class org.RDKit.RDKFuncs
 
prepareAndDrawMolecule(MolDraw2D, ROMol, String, Int_Vect) - Static method in class org.RDKit.RDKFuncs
 
prepareAndDrawMolecule(MolDraw2D, ROMol, String) - Static method in class org.RDKit.RDKFuncs
 
prepareAndDrawMolecule(MolDraw2D, ROMol) - Static method in class org.RDKit.RDKFuncs
 
prepareAndDrawMolecule__SWIG_0(long, MolDraw2D, long, ROMol, String, long, Int_Vect, long, Int_Vect, long, ColourPalette, long, ColourPalette, long, Int_Double_Map, int) - Static method in class org.RDKit.RDKFuncsJNI
 
prepareAndDrawMolecule__SWIG_1(long, MolDraw2D, long, ROMol, String, long, Int_Vect, long, Int_Vect, long, ColourPalette, long, ColourPalette, long, Int_Double_Map) - Static method in class org.RDKit.RDKFuncsJNI
 
prepareAndDrawMolecule__SWIG_2(long, MolDraw2D, long, ROMol, String, long, Int_Vect, long, Int_Vect, long, ColourPalette, long, ColourPalette) - Static method in class org.RDKit.RDKFuncsJNI
 
prepareAndDrawMolecule__SWIG_3(long, MolDraw2D, long, ROMol, String, long, Int_Vect, long, Int_Vect, long, ColourPalette) - Static method in class org.RDKit.RDKFuncsJNI
 
prepareAndDrawMolecule__SWIG_4(long, MolDraw2D, long, ROMol, String, long, Int_Vect, long, Int_Vect) - Static method in class org.RDKit.RDKFuncsJNI
 
prepareAndDrawMolecule__SWIG_5(long, MolDraw2D, long, ROMol, String, long, Int_Vect) - Static method in class org.RDKit.RDKFuncsJNI
 
prepareAndDrawMolecule__SWIG_6(long, MolDraw2D, long, ROMol, String) - Static method in class org.RDKit.RDKFuncsJNI
 
prepareAndDrawMolecule__SWIG_7(long, MolDraw2D, long, ROMol) - Static method in class org.RDKit.RDKFuncsJNI
 
prepareCore(RWMol, RWMol) - Method in class org.RDKit.RGroupDecompositionParameters
 
prepareMolForDrawing(RWMol, boolean, boolean, boolean, boolean) - Static method in class org.RDKit.RDKFuncs
 
prepareMolForDrawing(RWMol, boolean, boolean, boolean) - Static method in class org.RDKit.RDKFuncs
 
prepareMolForDrawing(RWMol, boolean, boolean) - Static method in class org.RDKit.RDKFuncs
 
prepareMolForDrawing(RWMol, boolean) - Static method in class org.RDKit.RDKFuncs
 
prepareMolForDrawing(RWMol) - Static method in class org.RDKit.RDKFuncs
 
prepareMolForDrawing__SWIG_0(long, RWMol, boolean, boolean, boolean, boolean) - Static method in class org.RDKit.RDKFuncsJNI
 
prepareMolForDrawing__SWIG_1(long, RWMol, boolean, boolean, boolean) - Static method in class org.RDKit.RDKFuncsJNI
 
prepareMolForDrawing__SWIG_2(long, RWMol, boolean, boolean) - Static method in class org.RDKit.RDKFuncsJNI
 
prepareMolForDrawing__SWIG_3(long, RWMol, boolean) - Static method in class org.RDKit.RDKFuncsJNI
 
prepareMolForDrawing__SWIG_4(long, RWMol) - Static method in class org.RDKit.RDKFuncsJNI
 
prev() - Method in class org.RDKit.AromaticAtomIterator
 
prev(int) - Method in class org.RDKit.AromaticAtomIterator
 
prev() - Method in class org.RDKit.AtomIterator
 
prev(int) - Method in class org.RDKit.AtomIterator
 
prev() - Method in class org.RDKit.BondIterator
 
prev(int) - Method in class org.RDKit.BondIterator
 
prev() - Method in class org.RDKit.ConstBondIterator
 
prev(int) - Method in class org.RDKit.ConstBondIterator
 
prev() - Method in class org.RDKit.HeteroatomIterator
 
prev(int) - Method in class org.RDKit.HeteroatomIterator
 
prev() - Method in class org.RDKit.QueryAtomIterator
 
prev(int) - Method in class org.RDKit.QueryAtomIterator
 
PrivateProps - Static variable in class org.RDKit.PropertyPickleOptions
 
PrivateProps_get() - Static method in class org.RDKit.RDKFuncsJNI
 
process() - Method in class org.RDKit.RGroupDecomposition
 
PropertyPickleOptions - Class in org.RDKit
 

Q

qhelper(SWIGTYPE_p_Queries__QueryT_int_RDKit__Atom_const_p_true_t, long) - Static method in class org.RDKit.RDKFuncs
 
qhelper(SWIGTYPE_p_Queries__QueryT_int_RDKit__Bond_const_p_true_t, long) - Static method in class org.RDKit.RDKFuncs
 
qhelper__SWIG_0(long, long) - Static method in class org.RDKit.RDKFuncsJNI
 
qhelper__SWIG_1(long, long) - Static method in class org.RDKit.RDKFuncsJNI
 
QueryAtom - Class in org.RDKit
Class for storing atomic queries.
QueryAtom(long, boolean) - Constructor for class org.RDKit.QueryAtom
 
QueryAtom() - Constructor for class org.RDKit.QueryAtom
 
QueryAtom(int) - Constructor for class org.RDKit.QueryAtom
 
QueryAtom(Atom) - Constructor for class org.RDKit.QueryAtom
 
QueryAtom(QueryAtom) - Constructor for class org.RDKit.QueryAtom
 
QueryAtom_copy(long, QueryAtom) - Static method in class org.RDKit.RDKFuncsJNI
 
QueryAtom_expandQuery__SWIG_0(long, QueryAtom, long, int, boolean) - Static method in class org.RDKit.RDKFuncsJNI
 
QueryAtom_expandQuery__SWIG_1(long, QueryAtom, long, int) - Static method in class org.RDKit.RDKFuncsJNI
 
QueryAtom_expandQuery__SWIG_2(long, QueryAtom, long) - Static method in class org.RDKit.RDKFuncsJNI
 
QueryAtom_getQuery(long, QueryAtom) - Static method in class org.RDKit.RDKFuncsJNI
 
QueryAtom_hasQuery(long, QueryAtom) - Static method in class org.RDKit.RDKFuncsJNI
 
QueryAtom_QueryMatch(long, QueryAtom, long, QueryAtom) - Static method in class org.RDKit.RDKFuncsJNI
 
QueryAtom_setQuery(long, QueryAtom, long) - Static method in class org.RDKit.RDKFuncsJNI
 
QueryAtom_SWIGSmartPtrUpcast(long) - Static method in class org.RDKit.RDKFuncsJNI
 
queryAtomAliphatic(Atom) - Static method in class org.RDKit.RDKFuncs
 
queryAtomAliphatic(long, Atom) - Static method in class org.RDKit.RDKFuncsJNI
 
queryAtomAllBondProduct(Atom) - Static method in class org.RDKit.RDKFuncs
 
queryAtomAllBondProduct(long, Atom) - Static method in class org.RDKit.RDKFuncsJNI
 
queryAtomAromatic(Atom) - Static method in class org.RDKit.RDKFuncs
 
queryAtomAromatic(long, Atom) - Static method in class org.RDKit.RDKFuncsJNI
 
queryAtomBondProduct(Atom) - Static method in class org.RDKit.RDKFuncs
 
queryAtomBondProduct(long, Atom) - Static method in class org.RDKit.RDKFuncsJNI
 
QueryAtomData - Static variable in class org.RDKit.PropertyPickleOptions
 
QueryAtomData_get() - Static method in class org.RDKit.RDKFuncsJNI
 
queryAtomExplicitDegree(Atom) - Static method in class org.RDKit.RDKFuncs
 
queryAtomExplicitDegree(long, Atom) - Static method in class org.RDKit.RDKFuncsJNI
 
queryAtomExplicitValence(Atom) - Static method in class org.RDKit.RDKFuncs
 
queryAtomExplicitValence(long, Atom) - Static method in class org.RDKit.RDKFuncsJNI
 
queryAtomFormalCharge(Atom) - Static method in class org.RDKit.RDKFuncs
 
queryAtomFormalCharge(long, Atom) - Static method in class org.RDKit.RDKFuncsJNI
 
queryAtomHasAliphaticHeteroatomNbrs(Atom) - Static method in class org.RDKit.RDKFuncs
 
queryAtomHasAliphaticHeteroatomNbrs(long, Atom) - Static method in class org.RDKit.RDKFuncsJNI
 
queryAtomHasChiralTag(Atom) - Static method in class org.RDKit.RDKFuncs
 
queryAtomHasChiralTag(long, Atom) - Static method in class org.RDKit.RDKFuncsJNI
 
queryAtomHasHeteroatomNbrs(Atom) - Static method in class org.RDKit.RDKFuncs
 
queryAtomHasHeteroatomNbrs(long, Atom) - Static method in class org.RDKit.RDKFuncsJNI
 
queryAtomHasImplicitH(Atom) - Static method in class org.RDKit.RDKFuncs
 
queryAtomHasImplicitH(long, Atom) - Static method in class org.RDKit.RDKFuncsJNI
 
queryAtomHasRingBond(Atom) - Static method in class org.RDKit.RDKFuncs
 
queryAtomHasRingBond(long, Atom) - Static method in class org.RDKit.RDKFuncsJNI
 
queryAtomHCount(Atom) - Static method in class org.RDKit.RDKFuncs
 
queryAtomHCount(long, Atom) - Static method in class org.RDKit.RDKFuncsJNI
 
queryAtomHeavyAtomDegree(Atom) - Static method in class org.RDKit.RDKFuncs
 
queryAtomHeavyAtomDegree(long, Atom) - Static method in class org.RDKit.RDKFuncsJNI
 
queryAtomHybridization(Atom) - Static method in class org.RDKit.RDKFuncs
 
queryAtomHybridization(long, Atom) - Static method in class org.RDKit.RDKFuncsJNI
 
queryAtomImplicitHCount(Atom) - Static method in class org.RDKit.RDKFuncs
 
queryAtomImplicitHCount(long, Atom) - Static method in class org.RDKit.RDKFuncsJNI
 
queryAtomImplicitValence(Atom) - Static method in class org.RDKit.RDKFuncs
 
queryAtomImplicitValence(long, Atom) - Static method in class org.RDKit.RDKFuncsJNI
 
queryAtomIsotope(Atom) - Static method in class org.RDKit.RDKFuncs
 
queryAtomIsotope(long, Atom) - Static method in class org.RDKit.RDKFuncsJNI
 
QueryAtomIterator - Class in org.RDKit
 
QueryAtomIterator(long, boolean) - Constructor for class org.RDKit.QueryAtomIterator
 
QueryAtomIterator() - Constructor for class org.RDKit.QueryAtomIterator
 
QueryAtomIterator(ROMol, QueryAtom) - Constructor for class org.RDKit.QueryAtomIterator
 
QueryAtomIterator(ROMol, int) - Constructor for class org.RDKit.QueryAtomIterator
 
QueryAtomIterator(QueryAtomIterator) - Constructor for class org.RDKit.QueryAtomIterator
 
QueryAtomIterator_eq(long, QueryAtomIterator, long, QueryAtomIterator) - Static method in class org.RDKit.RDKFuncsJNI
 
QueryAtomIterator_getAtom(long, QueryAtomIterator) - Static method in class org.RDKit.RDKFuncsJNI
 
QueryAtomIterator_ne(long, QueryAtomIterator, long, QueryAtomIterator) - Static method in class org.RDKit.RDKFuncsJNI
 
QueryAtomIterator_next__SWIG_0(long, QueryAtomIterator) - Static method in class org.RDKit.RDKFuncsJNI
 
QueryAtomIterator_next__SWIG_1(long, QueryAtomIterator, int) - Static method in class org.RDKit.RDKFuncsJNI
 
QueryAtomIterator_prev__SWIG_0(long, QueryAtomIterator) - Static method in class org.RDKit.RDKFuncsJNI
 
QueryAtomIterator_prev__SWIG_1(long, QueryAtomIterator, int) - Static method in class org.RDKit.RDKFuncsJNI
 
queryAtomMass(Atom) - Static method in class org.RDKit.RDKFuncs
 
queryAtomMass(long, Atom) - Static method in class org.RDKit.RDKFuncsJNI
 
queryAtomMinRingSize(Atom) - Static method in class org.RDKit.RDKFuncs
 
queryAtomMinRingSize(long, Atom) - Static method in class org.RDKit.RDKFuncsJNI
 
queryAtomMissingChiralTag(Atom) - Static method in class org.RDKit.RDKFuncs
 
queryAtomMissingChiralTag(long, Atom) - Static method in class org.RDKit.RDKFuncsJNI
 
queryAtomNegativeFormalCharge(Atom) - Static method in class org.RDKit.RDKFuncs
 
queryAtomNegativeFormalCharge(long, Atom) - Static method in class org.RDKit.RDKFuncsJNI
 
queryAtomNonHydrogenDegree(Atom) - Static method in class org.RDKit.RDKFuncs
 
queryAtomNonHydrogenDegree(long, Atom) - Static method in class org.RDKit.RDKFuncsJNI
 
queryAtomNum(Atom) - Static method in class org.RDKit.RDKFuncs
 
queryAtomNum(long, Atom) - Static method in class org.RDKit.RDKFuncsJNI
 
queryAtomNumAliphaticHeteroatomNbrs(Atom) - Static method in class org.RDKit.RDKFuncs
 
queryAtomNumAliphaticHeteroatomNbrs(long, Atom) - Static method in class org.RDKit.RDKFuncsJNI
 
queryAtomNumHeteroatomNbrs(Atom) - Static method in class org.RDKit.RDKFuncs
 
queryAtomNumHeteroatomNbrs(long, Atom) - Static method in class org.RDKit.RDKFuncsJNI
 
queryAtomNumRadicalElectrons(Atom) - Static method in class org.RDKit.RDKFuncs
 
queryAtomNumRadicalElectrons(long, Atom) - Static method in class org.RDKit.RDKFuncsJNI
 
queryAtomRingBondCount(Atom) - Static method in class org.RDKit.RDKFuncs
 
queryAtomRingBondCount(long, Atom) - Static method in class org.RDKit.RDKFuncsJNI
 
queryAtomRingMembership(Atom) - Static method in class org.RDKit.RDKFuncs
 
queryAtomRingMembership(long, Atom) - Static method in class org.RDKit.RDKFuncsJNI
 
queryAtomTotalDegree(Atom) - Static method in class org.RDKit.RDKFuncs
 
queryAtomTotalDegree(long, Atom) - Static method in class org.RDKit.RDKFuncsJNI
 
queryAtomTotalValence(Atom) - Static method in class org.RDKit.RDKFuncs
 
queryAtomTotalValence(long, Atom) - Static method in class org.RDKit.RDKFuncsJNI
 
queryAtomType(Atom) - Static method in class org.RDKit.RDKFuncs
 
queryAtomType(long, Atom) - Static method in class org.RDKit.RDKFuncsJNI
 
queryAtomUnsaturated(Atom) - Static method in class org.RDKit.RDKFuncs
 
queryAtomUnsaturated(long, Atom) - Static method in class org.RDKit.RDKFuncsJNI
 
QueryBond - Class in org.RDKit
Class for storing Bond queries.
QueryBond(long, boolean) - Constructor for class org.RDKit.QueryBond
 
QueryBond() - Constructor for class org.RDKit.QueryBond
 
QueryBond(Bond.BondType) - Constructor for class org.RDKit.QueryBond
 
QueryBond(Bond) - Constructor for class org.RDKit.QueryBond
 
QueryBond(QueryBond) - Constructor for class org.RDKit.QueryBond
 
QueryBond_copy(long, QueryBond) - Static method in class org.RDKit.RDKFuncsJNI
 
QueryBond_expandQuery__SWIG_0(long, QueryBond, long, int, boolean) - Static method in class org.RDKit.RDKFuncsJNI
 
QueryBond_expandQuery__SWIG_1(long, QueryBond, long, int) - Static method in class org.RDKit.RDKFuncsJNI
 
QueryBond_expandQuery__SWIG_2(long, QueryBond, long) - Static method in class org.RDKit.RDKFuncsJNI
 
QueryBond_getQuery(long, QueryBond) - Static method in class org.RDKit.RDKFuncsJNI
 
QueryBond_hasQuery(long, QueryBond) - Static method in class org.RDKit.RDKFuncsJNI
 
QueryBond_QueryMatch(long, QueryBond, long, QueryBond) - Static method in class org.RDKit.RDKFuncsJNI
 
QueryBond_setBondDir(long, QueryBond, int) - Static method in class org.RDKit.RDKFuncsJNI
 
QueryBond_setBondType(long, QueryBond, int) - Static method in class org.RDKit.RDKFuncsJNI
 
QueryBond_setQuery(long, QueryBond, long) - Static method in class org.RDKit.RDKFuncsJNI
 
QueryBond_SWIGSmartPtrUpcast(long) - Static method in class org.RDKit.RDKFuncsJNI
 
queryBondDir(Bond) - Static method in class org.RDKit.RDKFuncs
 
queryBondDir(long, Bond) - Static method in class org.RDKit.RDKFuncsJNI
 
queryBondHasStereo(Bond) - Static method in class org.RDKit.RDKFuncs
 
queryBondHasStereo(long, Bond) - Static method in class org.RDKit.RDKFuncsJNI
 
queryBondIsSingleOrAromatic(Bond) - Static method in class org.RDKit.RDKFuncs
 
queryBondIsSingleOrAromatic(long, Bond) - Static method in class org.RDKit.RDKFuncsJNI
 
queryBondMinRingSize(Bond) - Static method in class org.RDKit.RDKFuncs
 
queryBondMinRingSize(long, Bond) - Static method in class org.RDKit.RDKFuncsJNI
 
queryBondOrder(Bond) - Static method in class org.RDKit.RDKFuncs
 
queryBondOrder(long, Bond) - Static method in class org.RDKit.RDKFuncsJNI
 
queryIsAtomInNRings(Atom) - Static method in class org.RDKit.RDKFuncs
 
queryIsAtomInNRings(long, Atom) - Static method in class org.RDKit.RDKFuncsJNI
 
queryIsAtomInRing(Atom) - Static method in class org.RDKit.RDKFuncs
 
queryIsAtomInRing(long, Atom) - Static method in class org.RDKit.RDKFuncsJNI
 
queryIsBondInNRings(Bond) - Static method in class org.RDKit.RDKFuncs
 
queryIsBondInNRings(long, Bond) - Static method in class org.RDKit.RDKFuncsJNI
 
queryIsBondInRing(Bond) - Static method in class org.RDKit.RDKFuncs
 
queryIsBondInRing(long, Bond) - Static method in class org.RDKit.RDKFuncsJNI
 
QueryMatch(QueryAtom) - Method in class org.RDKit.QueryAtom
 
QueryMatch(QueryBond) - Method in class org.RDKit.QueryBond
 

R

RAD2DEG_get() - Static method in class org.RDKit.RDKFuncsJNI
 
range() - Method in class org.RDKit.MolDraw2D
 
rankMolAtoms(UInt_Vect, boolean, boolean, boolean) - Method in class org.RDKit.ROMol
 
rankMolAtoms(UInt_Vect, boolean, boolean) - Method in class org.RDKit.ROMol
 
rankMolAtoms(UInt_Vect, boolean) - Method in class org.RDKit.ROMol
 
rankMolAtoms(UInt_Vect) - Method in class org.RDKit.ROMol
 
Rb0() - Method in class org.RDKit.atomicData
 
Rcov() - Method in class org.RDKit.atomicData
 
RDKFingerprintMol(ROMol, long, long, long, long, boolean, double, long, boolean, boolean, UInt_Vect, UInt_Vect, SWIGTYPE_p_std__vectorT_std__vectorT_boost__uint32_t_t_t, SWIGTYPE_p_std__mapT_unsigned_int_std__vectorT_std__vectorT_int_t_t_t) - Static method in class org.RDKit.RDKFuncs
 
RDKFingerprintMol(ROMol, long, long, long, long, boolean, double, long, boolean, boolean, UInt_Vect, UInt_Vect, SWIGTYPE_p_std__vectorT_std__vectorT_boost__uint32_t_t_t) - Static method in class org.RDKit.RDKFuncs
 
RDKFingerprintMol(ROMol, long, long, long, long, boolean, double, long, boolean, boolean, UInt_Vect, UInt_Vect) - Static method in class org.RDKit.RDKFuncs
 
RDKFingerprintMol(ROMol, long, long, long, long, boolean, double, long, boolean, boolean, UInt_Vect) - Static method in class org.RDKit.RDKFuncs
 
RDKFingerprintMol(ROMol, long, long, long, long, boolean, double, long, boolean, boolean) - Static method in class org.RDKit.RDKFuncs
 
RDKFingerprintMol(ROMol, long, long, long, long, boolean, double, long, boolean) - Static method in class org.RDKit.RDKFuncs
 
RDKFingerprintMol(ROMol, long, long, long, long, boolean, double, long) - Static method in class org.RDKit.RDKFuncs
 
RDKFingerprintMol(ROMol, long, long, long, long, boolean, double) - Static method in class org.RDKit.RDKFuncs
 
RDKFingerprintMol(ROMol, long, long, long, long, boolean) - Static method in class org.RDKit.RDKFuncs
 
RDKFingerprintMol(ROMol, long, long, long, long) - Static method in class org.RDKit.RDKFuncs
 
RDKFingerprintMol(ROMol, long, long, long) - Static method in class org.RDKit.RDKFuncs
 
RDKFingerprintMol(ROMol, long, long) - Static method in class org.RDKit.RDKFuncs
 
RDKFingerprintMol(ROMol, long) - Static method in class org.RDKit.RDKFuncs
 
RDKFingerprintMol(ROMol) - Static method in class org.RDKit.RDKFuncs
 
RDKFingerprintMol__SWIG_0(long, ROMol, long, long, long, long, boolean, double, long, boolean, boolean, long, UInt_Vect, long, UInt_Vect, long, long) - Static method in class org.RDKit.RDKFuncsJNI
 
RDKFingerprintMol__SWIG_1(long, ROMol, long, long, long, long, boolean, double, long, boolean, boolean, long, UInt_Vect, long, UInt_Vect, long) - Static method in class org.RDKit.RDKFuncsJNI
 
RDKFingerprintMol__SWIG_10(long, ROMol, long, long, long) - Static method in class org.RDKit.RDKFuncsJNI
 
RDKFingerprintMol__SWIG_11(long, ROMol, long, long) - Static method in class org.RDKit.RDKFuncsJNI
 
RDKFingerprintMol__SWIG_12(long, ROMol, long) - Static method in class org.RDKit.RDKFuncsJNI
 
RDKFingerprintMol__SWIG_13(long, ROMol) - Static method in class org.RDKit.RDKFuncsJNI
 
RDKFingerprintMol__SWIG_2(long, ROMol, long, long, long, long, boolean, double, long, boolean, boolean, long, UInt_Vect, long, UInt_Vect) - Static method in class org.RDKit.RDKFuncsJNI
 
RDKFingerprintMol__SWIG_3(long, ROMol, long, long, long, long, boolean, double, long, boolean, boolean, long, UInt_Vect) - Static method in class org.RDKit.RDKFuncsJNI
 
RDKFingerprintMol__SWIG_4(long, ROMol, long, long, long, long, boolean, double, long, boolean, boolean) - Static method in class org.RDKit.RDKFuncsJNI
 
RDKFingerprintMol__SWIG_5(long, ROMol, long, long, long, long, boolean, double, long, boolean) - Static method in class org.RDKit.RDKFuncsJNI
 
RDKFingerprintMol__SWIG_6(long, ROMol, long, long, long, long, boolean, double, long) - Static method in class org.RDKit.RDKFuncsJNI
 
RDKFingerprintMol__SWIG_7(long, ROMol, long, long, long, long, boolean, double) - Static method in class org.RDKit.RDKFuncsJNI
 
RDKFingerprintMol__SWIG_8(long, ROMol, long, long, long, long, boolean) - Static method in class org.RDKit.RDKFuncsJNI
 
RDKFingerprintMol__SWIG_9(long, ROMol, long, long, long, long) - Static method in class org.RDKit.RDKFuncsJNI
 
RDKFingerprintMolVersion_get() - Static method in class org.RDKit.RDKFuncsJNI
 
RDKFuncs - Class in org.RDKit
 
RDKFuncs() - Constructor for class org.RDKit.RDKFuncs
 
RDKFuncsConstants - Interface in org.RDKit
 
RDKFuncsJNI - Class in org.RDKit
 
RDKFuncsJNI() - Constructor for class org.RDKit.RDKFuncsJNI
 
RDKIT_VERSION - Static variable in interface org.RDKit.RDKFuncsConstants
 
RDKIT_VERSION_get() - Static method in class org.RDKit.RDKFuncsJNI
 
rdkitBuild_get() - Static method in class org.RDKit.RDKFuncsJNI
 
rdkitBuild_set(String) - Static method in class org.RDKit.RDKFuncsJNI
 
RDKitSVGToMol(String, boolean, boolean) - Static method in class org.RDKit.RDKFuncs
 
RDKitSVGToMol(String, boolean) - Static method in class org.RDKit.RDKFuncs
 
RDKitSVGToMol(String) - Static method in class org.RDKit.RDKFuncs
 
RDKitSVGToMol(SWIGTYPE_p_std__istream, boolean, boolean) - Static method in class org.RDKit.RDKFuncs
 
RDKitSVGToMol(SWIGTYPE_p_std__istream, boolean) - Static method in class org.RDKit.RDKFuncs
 
RDKitSVGToMol(SWIGTYPE_p_std__istream) - Static method in class org.RDKit.RDKFuncs
 
RDKitSVGToMol__SWIG_0(String, boolean, boolean) - Static method in class org.RDKit.RDKFuncsJNI
 
RDKitSVGToMol__SWIG_1(String, boolean) - Static method in class org.RDKit.RDKFuncsJNI
 
RDKitSVGToMol__SWIG_2(String) - Static method in class org.RDKit.RDKFuncsJNI
 
RDKitSVGToMol__SWIG_3(long, boolean, boolean) - Static method in class org.RDKit.RDKFuncsJNI
 
RDKitSVGToMol__SWIG_4(long, boolean) - Static method in class org.RDKit.RDKFuncsJNI
 
RDKitSVGToMol__SWIG_5(long) - Static method in class org.RDKit.RDKFuncsJNI
 
rdkitVersion_get() - Static method in class org.RDKit.RDKFuncsJNI
 
rdkitVersion_set(String) - Static method in class org.RDKit.RDKFuncsJNI
 
RDProps - Class in org.RDKit
 
RDProps(long, boolean) - Constructor for class org.RDKit.RDProps
 
RDProps() - Constructor for class org.RDKit.RDProps
 
RDProps(RDProps) - Constructor for class org.RDKit.RDProps
 
RDProps_clear(long, RDProps) - Static method in class org.RDKit.RDKFuncsJNI
 
RDProps_clearComputedProps(long, RDProps) - Static method in class org.RDKit.RDKFuncsJNI
 
RDProps_clearProp(long, RDProps, String) - Static method in class org.RDKit.RDKFuncsJNI
 
RDProps_getDict__SWIG_0(long, RDProps) - Static method in class org.RDKit.RDKFuncsJNI
 
RDProps_getPropList__SWIG_0(long, RDProps, boolean, boolean) - Static method in class org.RDKit.RDKFuncsJNI
 
RDProps_getPropList__SWIG_1(long, RDProps, boolean) - Static method in class org.RDKit.RDKFuncsJNI
 
RDProps_getPropList__SWIG_2(long, RDProps) - Static method in class org.RDKit.RDKFuncsJNI
 
RDProps_hasProp(long, RDProps, String) - Static method in class org.RDKit.RDKFuncsJNI
 
RDProps_setProp__SWIG_2(long, RDProps, String, String, boolean) - Static method in class org.RDKit.RDKFuncsJNI
 
RDProps_setProp__SWIG_3(long, RDProps, String, String) - Static method in class org.RDKit.RDKFuncsJNI
 
RDProps_updateProps__SWIG_0(long, RDProps, long, RDProps, boolean) - Static method in class org.RDKit.RDKFuncsJNI
 
RDProps_updateProps__SWIG_1(long, RDProps, long, RDProps) - Static method in class org.RDKit.RDKFuncsJNI
 
reactantAtomIdx_get() - Static method in class org.RDKit.RDKFuncsJNI
 
ReactionFingerprintParams - Class in org.RDKit
 
ReactionFingerprintParams(long, boolean) - Constructor for class org.RDKit.ReactionFingerprintParams
 
ReactionFingerprintParams() - Constructor for class org.RDKit.ReactionFingerprintParams
 
ReactionFingerprintParams(boolean, double, long, int, long, FingerprintType) - Constructor for class org.RDKit.ReactionFingerprintParams
 
ReactionFingerprintParams_agentWeight_get(long, ReactionFingerprintParams) - Static method in class org.RDKit.RDKFuncsJNI
 
ReactionFingerprintParams_agentWeight_set(long, ReactionFingerprintParams, int) - Static method in class org.RDKit.RDKFuncsJNI
 
ReactionFingerprintParams_bitRatioAgents_get(long, ReactionFingerprintParams) - Static method in class org.RDKit.RDKFuncsJNI
 
ReactionFingerprintParams_bitRatioAgents_set(long, ReactionFingerprintParams, double) - Static method in class org.RDKit.RDKFuncsJNI
 
ReactionFingerprintParams_fpSize_get(long, ReactionFingerprintParams) - Static method in class org.RDKit.RDKFuncsJNI
 
ReactionFingerprintParams_fpSize_set(long, ReactionFingerprintParams, long) - Static method in class org.RDKit.RDKFuncsJNI
 
ReactionFingerprintParams_fpType_get(long, ReactionFingerprintParams) - Static method in class org.RDKit.RDKFuncsJNI
 
ReactionFingerprintParams_fpType_set(long, ReactionFingerprintParams, int) - Static method in class org.RDKit.RDKFuncsJNI
 
ReactionFingerprintParams_includeAgents_get(long, ReactionFingerprintParams) - Static method in class org.RDKit.RDKFuncsJNI
 
ReactionFingerprintParams_includeAgents_set(long, ReactionFingerprintParams, boolean) - Static method in class org.RDKit.RDKFuncsJNI
 
ReactionFingerprintParams_nonAgentWeight_get(long, ReactionFingerprintParams) - Static method in class org.RDKit.RDKFuncsJNI
 
ReactionFingerprintParams_nonAgentWeight_set(long, ReactionFingerprintParams, long) - Static method in class org.RDKit.RDKFuncsJNI
 
ReactionFromRxnBlock(String) - Static method in class org.RDKit.ChemicalReaction
 
ReactionFromRxnFile(String) - Static method in class org.RDKit.ChemicalReaction
 
ReactionFromSmarts(String, boolean) - Static method in class org.RDKit.ChemicalReaction
 
ReactionFromSmarts(String) - Static method in class org.RDKit.ChemicalReaction
 
reactionMapNum_get() - Static method in class org.RDKit.RDKFuncsJNI
 
ReactionToRxnBlock(ChemicalReaction) - Static method in class org.RDKit.ChemicalReaction
 
ReactionToSmarts(ChemicalReaction) - Static method in class org.RDKit.ChemicalReaction
 
readAmberTrajectory(String, Trajectory) - Static method in class org.RDKit.RDKFuncs
 
readAmberTrajectory(String, long, Trajectory) - Static method in class org.RDKit.RDKFuncsJNI
 
readGromosTrajectory(String, Trajectory) - Static method in class org.RDKit.RDKFuncs
 
readGromosTrajectory(String, long, Trajectory) - Static method in class org.RDKit.RDKFuncsJNI
 
RecursiveStructureQuery - Class in org.RDKit
 
RecursiveStructureQuery(long, boolean) - Constructor for class org.RDKit.RecursiveStructureQuery
 
RecursiveStructureQuery() - Constructor for class org.RDKit.RecursiveStructureQuery
 
RecursiveStructureQuery(ROMol, long) - Constructor for class org.RDKit.RecursiveStructureQuery
 
RecursiveStructureQuery(ROMol) - Constructor for class org.RDKit.RecursiveStructureQuery
 
RecursiveStructureQuery_copy(long, RecursiveStructureQuery) - Static method in class org.RDKit.RDKFuncsJNI
 
RecursiveStructureQuery_getAtIdx(long, Atom) - Static method in class org.RDKit.RDKFuncsJNI
 
RecursiveStructureQuery_getQueryMol(long, RecursiveStructureQuery) - Static method in class org.RDKit.RDKFuncsJNI
 
RecursiveStructureQuery_getSerialNumber(long, RecursiveStructureQuery) - Static method in class org.RDKit.RDKFuncsJNI
 
RecursiveStructureQuery_setQueryMol(long, RecursiveStructureQuery, long, ROMol) - Static method in class org.RDKit.RDKFuncsJNI
 
ReduceProductToSideChains(ROMol, boolean) - Static method in class org.RDKit.ChemicalReaction
 
ReduceProductToSideChains(ROMol) - Static method in class org.RDKit.ChemicalReaction
 
Reflect() - Method in class org.RDKit.Transform3D
 
registerDescriptors() - Static method in class org.RDKit.RDKFuncs
 
registerDescriptors() - Static method in class org.RDKit.RDKFuncsJNI
 
reionize(RWMol, CleanupParameters) - Static method in class org.RDKit.RDKFuncs
 
reionize(RWMol) - Static method in class org.RDKit.RDKFuncs
 
reionize__SWIG_0(long, RWMol, long, CleanupParameters) - Static method in class org.RDKit.RDKFuncsJNI
 
reionize__SWIG_1(long, RWMol) - Static method in class org.RDKit.RDKFuncsJNI
 
RelabelDuplicateLabels_get() - Static method in class org.RDKit.RDKFuncsJNI
 
removeAgentTemplates(ROMol_Vect) - Method in class org.RDKit.ChemicalReaction
 
removeAgentTemplates() - Method in class org.RDKit.ChemicalReaction
 
removeAtom(long) - Method in class org.RDKit.RWMol
 
removeAtom(Atom) - Method in class org.RDKit.RWMol
This is an overloaded member function, provided for convenience.
removeBond(long, long) - Method in class org.RDKit.RWMol
 
removeConformer(long) - Method in class org.RDKit.ROMol
 
removeEntry(FilterCatalogEntry) - Method in class org.RDKit.FilterCatalog
 
removeGroupsWithAtom(Atom, StereoGroup_Vect) - Static method in class org.RDKit.RDKFuncs
 
removeGroupsWithAtom(long, Atom, long, StereoGroup_Vect) - Static method in class org.RDKit.RDKFuncsJNI
 
removeGroupsWithAtoms(Atom_Vect, StereoGroup_Vect) - Static method in class org.RDKit.RDKFuncs
 
removeGroupsWithAtoms(long, Atom_Vect, long, StereoGroup_Vect) - Static method in class org.RDKit.RDKFuncsJNI
 
removeHs(ROMol, boolean, boolean, boolean) - Static method in class org.RDKit.RDKFuncs
returns a copy of a molecule with hydrogens removed
removeHs(ROMol, boolean, boolean) - Static method in class org.RDKit.RDKFuncs
returns a copy of a molecule with hydrogens removed
removeHs(ROMol, boolean) - Static method in class org.RDKit.RDKFuncs
returns a copy of a molecule with hydrogens removed
removeHs(ROMol) - Static method in class org.RDKit.RDKFuncs
returns a copy of a molecule with hydrogens removed
removeHs(RWMol, boolean, boolean, boolean) - Static method in class org.RDKit.RDKFuncs
 
removeHs(RWMol, boolean, boolean) - Static method in class org.RDKit.RDKFuncs
 
removeHs(RWMol, boolean) - Static method in class org.RDKit.RDKFuncs
 
removeHs(RWMol) - Static method in class org.RDKit.RDKFuncs
 
removeHs(boolean, boolean, boolean) - Method in class org.RDKit.ROMol
 
removeHs(boolean, boolean) - Method in class org.RDKit.ROMol
 
removeHs(boolean) - Method in class org.RDKit.ROMol
 
removeHs__SWIG_0(long, ROMol, boolean, boolean, boolean) - Static method in class org.RDKit.RDKFuncsJNI
 
removeHs__SWIG_1(long, ROMol, boolean, boolean) - Static method in class org.RDKit.RDKFuncsJNI
 
removeHs__SWIG_2(long, ROMol, boolean) - Static method in class org.RDKit.RDKFuncsJNI
 
removeHs__SWIG_3(long, ROMol) - Static method in class org.RDKit.RDKFuncsJNI
 
removeHs__SWIG_4(long, RWMol, boolean, boolean, boolean) - Static method in class org.RDKit.RDKFuncsJNI
 
removeHs__SWIG_5(long, RWMol, boolean, boolean) - Static method in class org.RDKit.RDKFuncsJNI
 
removeHs__SWIG_6(long, RWMol, boolean) - Static method in class org.RDKit.RDKFuncsJNI
 
removeHs__SWIG_7(long, RWMol) - Static method in class org.RDKit.RDKFuncsJNI
 
removeSnapshot(long) - Method in class org.RDKit.Trajectory
 
removeStereochemistry(ROMol) - Static method in class org.RDKit.RDKFuncs
Removes all stereochemistry information from atoms (i.e.
removeStereochemistry(long, ROMol) - Static method in class org.RDKit.RDKFuncsJNI
 
removeUnmappedProductTemplates(double, boolean, ROMol_Vect) - Method in class org.RDKit.ChemicalReaction
 
removeUnmappedProductTemplates(double, boolean) - Method in class org.RDKit.ChemicalReaction
 
removeUnmappedProductTemplates(double) - Method in class org.RDKit.ChemicalReaction
 
removeUnmappedProductTemplates() - Method in class org.RDKit.ChemicalReaction
 
removeUnmappedReactantTemplates(double, boolean, ROMol_Vect) - Method in class org.RDKit.ChemicalReaction
 
removeUnmappedReactantTemplates(double, boolean) - Method in class org.RDKit.ChemicalReaction
 
removeUnmappedReactantTemplates(double) - Method in class org.RDKit.ChemicalReaction
 
removeUnmappedReactantTemplates() - Method in class org.RDKit.ChemicalReaction
 
renumberAtoms(ROMol, UInt_Vect) - Static method in class org.RDKit.RDKFuncs
 
renumberAtoms(long, ROMol, long, UInt_Vect) - Static method in class org.RDKit.RDKFuncsJNI
 
replaceAtom(long, Atom, boolean, boolean) - Method in class org.RDKit.RWMol
 
replaceAtom(long, Atom, boolean) - Method in class org.RDKit.RWMol
replaces a particular Atom
replaceAtom(long, Atom) - Method in class org.RDKit.RWMol
replaces a particular Atom
replaceAtomBookmark(Atom, int) - Method in class org.RDKit.ROMol
 
replaceBond(long, Bond, boolean) - Method in class org.RDKit.RWMol
 
replaceBond(long, Bond) - Method in class org.RDKit.RWMol
 
replaceCore(ROMol, ROMol, Match_Vect, boolean, boolean, boolean) - Static method in class org.RDKit.RDKFuncs
 
replaceCore(ROMol, ROMol, Match_Vect, boolean, boolean) - Static method in class org.RDKit.RDKFuncs
 
replaceCore(ROMol, ROMol, Match_Vect, boolean) - Static method in class org.RDKit.RDKFuncs
 
replaceCore(ROMol, ROMol, Match_Vect) - Static method in class org.RDKit.RDKFuncs
 
replaceCore(ROMol, ROMol, boolean, boolean, boolean, boolean) - Static method in class org.RDKit.RDKFuncs
 
replaceCore(ROMol, ROMol, boolean, boolean, boolean) - Static method in class org.RDKit.RDKFuncs
 
replaceCore(ROMol, ROMol, boolean, boolean) - Static method in class org.RDKit.RDKFuncs
 
replaceCore(ROMol, ROMol, boolean) - Static method in class org.RDKit.RDKFuncs
 
replaceCore(ROMol, ROMol) - Static method in class org.RDKit.RDKFuncs
 
replaceCore(ROMol, boolean, boolean) - Method in class org.RDKit.ROMol
 
replaceCore(ROMol, boolean) - Method in class org.RDKit.ROMol
 
replaceCore(ROMol) - Method in class org.RDKit.ROMol
 
replaceCore__SWIG_0(long, ROMol, long, ROMol, long, Match_Vect, boolean, boolean, boolean) - Static method in class org.RDKit.RDKFuncsJNI
 
replaceCore__SWIG_1(long, ROMol, long, ROMol, long, Match_Vect, boolean, boolean) - Static method in class org.RDKit.RDKFuncsJNI
 
replaceCore__SWIG_2(long, ROMol, long, ROMol, long, Match_Vect, boolean) - Static method in class org.RDKit.RDKFuncsJNI
 
replaceCore__SWIG_3(long, ROMol, long, ROMol, long, Match_Vect) - Static method in class org.RDKit.RDKFuncsJNI
 
replaceCore__SWIG_4(long, ROMol, long, ROMol, boolean, boolean, boolean, boolean) - Static method in class org.RDKit.RDKFuncsJNI
 
replaceCore__SWIG_5(long, ROMol, long, ROMol, boolean, boolean, boolean) - Static method in class org.RDKit.RDKFuncsJNI
 
replaceCore__SWIG_6(long, ROMol, long, ROMol, boolean, boolean) - Static method in class org.RDKit.RDKFuncsJNI
 
replaceCore__SWIG_7(long, ROMol, long, ROMol, boolean) - Static method in class org.RDKit.RDKFuncsJNI
 
replaceCore__SWIG_8(long, ROMol, long, ROMol) - Static method in class org.RDKit.RDKFuncsJNI
 
replaceSidechains(ROMol, ROMol, boolean) - Static method in class org.RDKit.RDKFuncs
 
replaceSidechains(ROMol, ROMol) - Static method in class org.RDKit.RDKFuncs
 
replaceSidechains(ROMol) - Method in class org.RDKit.ROMol
 
replaceSidechains__SWIG_0(long, ROMol, long, ROMol, boolean) - Static method in class org.RDKit.RDKFuncsJNI
 
replaceSidechains__SWIG_1(long, ROMol, long, ROMol) - Static method in class org.RDKit.RDKFuncsJNI
 
replaceSubstructs(ROMol, ROMol, ROMol, boolean, long, boolean) - Static method in class org.RDKit.RDKFuncs
 
replaceSubstructs(ROMol, ROMol, ROMol, boolean, long) - Static method in class org.RDKit.RDKFuncs
 
replaceSubstructs(ROMol, ROMol, ROMol, boolean) - Static method in class org.RDKit.RDKFuncs
 
replaceSubstructs(ROMol, ROMol, ROMol) - Static method in class org.RDKit.RDKFuncs
 
replaceSubstructs(ROMol, ROMol, boolean) - Method in class org.RDKit.ROMol
 
replaceSubstructs(ROMol, ROMol) - Method in class org.RDKit.ROMol
 
replaceSubstructs__SWIG_0(long, ROMol, long, ROMol, long, ROMol, boolean, long, boolean) - Static method in class org.RDKit.RDKFuncsJNI
 
replaceSubstructs__SWIG_1(long, ROMol, long, ROMol, long, ROMol, boolean, long) - Static method in class org.RDKit.RDKFuncsJNI
 
replaceSubstructs__SWIG_2(long, ROMol, long, ROMol, long, ROMol, boolean) - Static method in class org.RDKit.RDKFuncsJNI
 
replaceSubstructs__SWIG_3(long, ROMol, long, ROMol, long, ROMol) - Static method in class org.RDKit.RDKFuncsJNI
 
reserve(long) - Method in class org.RDKit.Atom_Vect
 
reserve(long) - Method in class org.RDKit.Atomic_Params_Vect
 
reserve(long) - Method in class org.RDKit.Bond_Vect
 
reserve(long) - Method in class org.RDKit.Byte_Vect
 
reserve(long) - Method in class org.RDKit.Conformer
 
reserve(long) - Method in class org.RDKit.Double_Vect
 
reserve(long) - Method in class org.RDKit.EBV_Vect
 
reserve(long) - Method in class org.RDKit.FF_Contrib_Vect
 
reserve(long) - Method in class org.RDKit.FilterCatalogEntry_Vect
 
reserve(long) - Method in class org.RDKit.FilterCatalogEntry_VectVect
 
reserve(long) - Method in class org.RDKit.FilterCatalogEntryVect
 
reserve(long) - Method in class org.RDKit.FilterMatch_Vect
 
reserve(long) - Method in class org.RDKit.Float_Pair_Vect
 
reserve(long) - Method in class org.RDKit.Int_Vect
 
reserve(long) - Method in class org.RDKit.Int_Vect_Vect
 
reserve(long) - Method in class org.RDKit.Long_Pair_Vect
 
reserve(long) - Method in class org.RDKit.Match_Vect
 
reserve(long) - Method in class org.RDKit.Match_Vect_Vect
 
reserve(long) - Method in class org.RDKit.MolSanitizeException_Vect
 
reserve(long) - Method in class org.RDKit.Point2D_Vect
 
reserve(long) - Method in class org.RDKit.Point3D_Vect
 
reserve(long) - Method in class org.RDKit.Point_Vect
 
reserve(long) - Method in class org.RDKit.ROMol_Vect
 
reserve(long) - Method in class org.RDKit.ROMol_Vect_Vect
 
reserve(long) - Method in class org.RDKit.StereoGroup_Vect
 
reserve(long) - Method in class org.RDKit.Str_Vect
 
reserve(long) - Method in class org.RDKit.StringMolMap_Vect
 
reserve(long) - Method in class org.RDKit.UChar_Vect
 
reserve(long) - Method in class org.RDKit.UInt_Pair_Vect
 
reserve(long) - Method in class org.RDKit.UInt_Vect
 
reserve(long) - Method in class org.RDKit.UIntPairVect
 
reset() - Method in class org.RDKit.Dict
 
reset() - Method in class org.RDKit.ForwardSDMolSupplier
 
reset() - Method in class org.RDKit.MolSupplier
 
reset() - Method in class org.RDKit.PDBMolSupplier
 
reset() - Method in class org.RDKit.ResonanceMolSupplier
 
reset() - Method in class org.RDKit.RingInfo
 
reset() - Method in class org.RDKit.SDMolSupplier
 
reset() - Method in class org.RDKit.Shared_Double_Array
 
reset() - Method in class org.RDKit.Shared_Int_Array
 
reset() - Method in class org.RDKit.SmilesMolSupplier
 
reset() - Method in class org.RDKit.TDTMolSupplier
 
resetHolders() - Method in class org.RDKit.SubstructLibrary
 
resize(long) - Method in class org.RDKit.Conformer
Resize the conformer so that more atoms location can be added.
ResonanceMolSupplier - Class in org.RDKit
 
ResonanceMolSupplier(long, boolean) - Constructor for class org.RDKit.ResonanceMolSupplier
 
ResonanceMolSupplier(ROMol, long, long) - Constructor for class org.RDKit.ResonanceMolSupplier
 
ResonanceMolSupplier(ROMol, long) - Constructor for class org.RDKit.ResonanceMolSupplier
 
ResonanceMolSupplier(ROMol) - Constructor for class org.RDKit.ResonanceMolSupplier
 
ResonanceMolSupplier.ResonanceFlags - Enum in org.RDKit
 
ResonanceMolSupplier_ALLOW_CHARGE_SEPARATION_get() - Static method in class org.RDKit.RDKFuncsJNI
 
ResonanceMolSupplier_ALLOW_INCOMPLETE_OCTETS_get() - Static method in class org.RDKit.RDKFuncsJNI
 
ResonanceMolSupplier_atEnd(long, ResonanceMolSupplier) - Static method in class org.RDKit.RDKFuncsJNI
 
ResonanceMolSupplier_enumerate(long, ResonanceMolSupplier) - Static method in class org.RDKit.RDKFuncsJNI
 
ResonanceMolSupplier_flags(long, ResonanceMolSupplier) - Static method in class org.RDKit.RDKFuncsJNI
 
ResonanceMolSupplier_getAtomConjGrpIdx(long, ResonanceMolSupplier, long) - Static method in class org.RDKit.RDKFuncsJNI
 
ResonanceMolSupplier_getBondConjGrpIdx(long, ResonanceMolSupplier, long) - Static method in class org.RDKit.RDKFuncsJNI
 
ResonanceMolSupplier_getIsEnumerated(long, ResonanceMolSupplier) - Static method in class org.RDKit.RDKFuncsJNI
 
ResonanceMolSupplier_getNumConjGrps(long, ResonanceMolSupplier) - Static method in class org.RDKit.RDKFuncsJNI
 
ResonanceMolSupplier_getSubstructMatches__SWIG_0(long, ResonanceMolSupplier, long, ROMol, boolean, boolean, int) - Static method in class org.RDKit.RDKFuncsJNI
 
ResonanceMolSupplier_getSubstructMatches__SWIG_1(long, ResonanceMolSupplier, long, ROMol, boolean, boolean) - Static method in class org.RDKit.RDKFuncsJNI
 
ResonanceMolSupplier_getSubstructMatches__SWIG_2(long, ResonanceMolSupplier, long, ROMol, boolean) - Static method in class org.RDKit.RDKFuncsJNI
 
ResonanceMolSupplier_getSubstructMatches__SWIG_3(long, ResonanceMolSupplier, long, ROMol) - Static method in class org.RDKit.RDKFuncsJNI
 
ResonanceMolSupplier_KEKULE_ALL_get() - Static method in class org.RDKit.RDKFuncsJNI
 
ResonanceMolSupplier_length(long, ResonanceMolSupplier) - Static method in class org.RDKit.RDKFuncsJNI
 
ResonanceMolSupplier_mol(long, ResonanceMolSupplier) - Static method in class org.RDKit.RDKFuncsJNI
 
ResonanceMolSupplier_moveTo(long, ResonanceMolSupplier, long) - Static method in class org.RDKit.RDKFuncsJNI
 
ResonanceMolSupplier_next(long, ResonanceMolSupplier) - Static method in class org.RDKit.RDKFuncsJNI
 
ResonanceMolSupplier_reset(long, ResonanceMolSupplier) - Static method in class org.RDKit.RDKFuncsJNI
 
ResonanceMolSupplier_setNumThreads__SWIG_0(long, ResonanceMolSupplier, int) - Static method in class org.RDKit.RDKFuncsJNI
 
ResonanceMolSupplier_setNumThreads__SWIG_1(long, ResonanceMolSupplier) - Static method in class org.RDKit.RDKFuncsJNI
 
ResonanceMolSupplier_UNCONSTRAINED_ANIONS_get() - Static method in class org.RDKit.RDKFuncsJNI
 
ResonanceMolSupplier_UNCONSTRAINED_CATIONS_get() - Static method in class org.RDKit.RDKFuncsJNI
 
RGroupCoreAlignment - Enum in org.RDKit
 
RGroupDecompose(ROMol_Vect, ROMol_Vect, StringMolMap_Vect, UInt_Vect, RGroupDecompositionParameters) - Static method in class org.RDKit.RDKFuncs
 
RGroupDecompose(ROMol_Vect, ROMol_Vect, StringMolMap_Vect, UInt_Vect) - Static method in class org.RDKit.RDKFuncs
 
RGroupDecompose(ROMol_Vect, ROMol_Vect, StringMolMap_Vect) - Static method in class org.RDKit.RDKFuncs
 
RGroupDecompose(ROMol_Vect, ROMol_Vect, StringROMol_VectMap, UInt_Vect, RGroupDecompositionParameters) - Static method in class org.RDKit.RDKFuncs
 
RGroupDecompose(ROMol_Vect, ROMol_Vect, StringROMol_VectMap, UInt_Vect) - Static method in class org.RDKit.RDKFuncs
 
RGroupDecompose(ROMol_Vect, ROMol_Vect, StringROMol_VectMap) - Static method in class org.RDKit.RDKFuncs
 
RGroupDecompose__SWIG_0(long, ROMol_Vect, long, ROMol_Vect, long, StringMolMap_Vect, long, UInt_Vect, long, RGroupDecompositionParameters) - Static method in class org.RDKit.RDKFuncsJNI
 
RGroupDecompose__SWIG_1(long, ROMol_Vect, long, ROMol_Vect, long, StringMolMap_Vect, long, UInt_Vect) - Static method in class org.RDKit.RDKFuncsJNI
 
RGroupDecompose__SWIG_2(long, ROMol_Vect, long, ROMol_Vect, long, StringMolMap_Vect) - Static method in class org.RDKit.RDKFuncsJNI
 
RGroupDecompose__SWIG_3(long, ROMol_Vect, long, ROMol_Vect, long, StringROMol_VectMap, long, UInt_Vect, long, RGroupDecompositionParameters) - Static method in class org.RDKit.RDKFuncsJNI
 
RGroupDecompose__SWIG_4(long, ROMol_Vect, long, ROMol_Vect, long, StringROMol_VectMap, long, UInt_Vect) - Static method in class org.RDKit.RDKFuncsJNI
 
RGroupDecompose__SWIG_5(long, ROMol_Vect, long, ROMol_Vect, long, StringROMol_VectMap) - Static method in class org.RDKit.RDKFuncsJNI
 
RGroupDecomposition - Class in org.RDKit
 
RGroupDecomposition(long, boolean) - Constructor for class org.RDKit.RGroupDecomposition
 
RGroupDecomposition(ROMol, RGroupDecompositionParameters) - Constructor for class org.RDKit.RGroupDecomposition
 
RGroupDecomposition(ROMol) - Constructor for class org.RDKit.RGroupDecomposition
 
RGroupDecomposition(ROMol_Vect, RGroupDecompositionParameters) - Constructor for class org.RDKit.RGroupDecomposition
 
RGroupDecomposition(ROMol_Vect) - Constructor for class org.RDKit.RGroupDecomposition
 
RGroupDecomposition_add(long, RGroupDecomposition, long, ROMol) - Static method in class org.RDKit.RDKFuncsJNI
 
RGroupDecomposition_getRGroupLabels(long, RGroupDecomposition) - Static method in class org.RDKit.RDKFuncsJNI
 
RGroupDecomposition_getRGroupsAsColumns(long, RGroupDecomposition) - Static method in class org.RDKit.RDKFuncsJNI
 
RGroupDecomposition_getRGroupsAsRows(long, RGroupDecomposition) - Static method in class org.RDKit.RDKFuncsJNI
 
RGroupDecomposition_process(long, RGroupDecomposition) - Static method in class org.RDKit.RDKFuncsJNI
 
RGroupDecompositionParameters - Class in org.RDKit
 
RGroupDecompositionParameters(long, boolean) - Constructor for class org.RDKit.RGroupDecompositionParameters
 
RGroupDecompositionParameters(long, long, long, long, long, boolean, boolean, boolean) - Constructor for class org.RDKit.RGroupDecompositionParameters
 
RGroupDecompositionParameters(long, long, long, long, long, boolean, boolean) - Constructor for class org.RDKit.RGroupDecompositionParameters
 
RGroupDecompositionParameters(long, long, long, long, long, boolean) - Constructor for class org.RDKit.RGroupDecompositionParameters
 
RGroupDecompositionParameters(long, long, long, long, long) - Constructor for class org.RDKit.RGroupDecompositionParameters
 
RGroupDecompositionParameters(long, long, long, long) - Constructor for class org.RDKit.RGroupDecompositionParameters
 
RGroupDecompositionParameters(long, long, long) - Constructor for class org.RDKit.RGroupDecompositionParameters
 
RGroupDecompositionParameters(long, long) - Constructor for class org.RDKit.RGroupDecompositionParameters
 
RGroupDecompositionParameters(long) - Constructor for class org.RDKit.RGroupDecompositionParameters
 
RGroupDecompositionParameters() - Constructor for class org.RDKit.RGroupDecompositionParameters
 
RGroupDecompositionParameters_alignment_get(long, RGroupDecompositionParameters) - Static method in class org.RDKit.RDKFuncsJNI
 
RGroupDecompositionParameters_alignment_set(long, RGroupDecompositionParameters, long) - Static method in class org.RDKit.RDKFuncsJNI
 
RGroupDecompositionParameters_autoGetLabels(long, RGroupDecompositionParameters, long, RWMol) - Static method in class org.RDKit.RDKFuncsJNI
 
RGroupDecompositionParameters_chunkSize_get(long, RGroupDecompositionParameters) - Static method in class org.RDKit.RDKFuncsJNI
 
RGroupDecompositionParameters_chunkSize_set(long, RGroupDecompositionParameters, long) - Static method in class org.RDKit.RDKFuncsJNI
 
RGroupDecompositionParameters_labels_get(long, RGroupDecompositionParameters) - Static method in class org.RDKit.RDKFuncsJNI
 
RGroupDecompositionParameters_labels_set(long, RGroupDecompositionParameters, long) - Static method in class org.RDKit.RDKFuncsJNI
 
RGroupDecompositionParameters_matchingStrategy_get(long, RGroupDecompositionParameters) - Static method in class org.RDKit.RDKFuncsJNI
 
RGroupDecompositionParameters_matchingStrategy_set(long, RGroupDecompositionParameters, long) - Static method in class org.RDKit.RDKFuncsJNI
 
RGroupDecompositionParameters_onlyMatchAtRGroups_get(long, RGroupDecompositionParameters) - Static method in class org.RDKit.RDKFuncsJNI
 
RGroupDecompositionParameters_onlyMatchAtRGroups_set(long, RGroupDecompositionParameters, boolean) - Static method in class org.RDKit.RDKFuncsJNI
 
RGroupDecompositionParameters_prepareCore(long, RGroupDecompositionParameters, long, RWMol, long, RWMol) - Static method in class org.RDKit.RDKFuncsJNI
 
RGroupDecompositionParameters_removeAllHydrogenRGroups_get(long, RGroupDecompositionParameters) - Static method in class org.RDKit.RDKFuncsJNI
 
RGroupDecompositionParameters_removeAllHydrogenRGroups_set(long, RGroupDecompositionParameters, boolean) - Static method in class org.RDKit.RDKFuncsJNI
 
RGroupDecompositionParameters_removeHydrogensPostMatch_get(long, RGroupDecompositionParameters) - Static method in class org.RDKit.RDKFuncsJNI
 
RGroupDecompositionParameters_removeHydrogensPostMatch_set(long, RGroupDecompositionParameters, boolean) - Static method in class org.RDKit.RDKFuncsJNI
 
RGroupDecompositionParameters_rgroupLabelling_get(long, RGroupDecompositionParameters) - Static method in class org.RDKit.RDKFuncsJNI
 
RGroupDecompositionParameters_rgroupLabelling_set(long, RGroupDecompositionParameters, long) - Static method in class org.RDKit.RDKFuncsJNI
 
RGroupLabelling - Enum in org.RDKit
 
RGroupLabels - Enum in org.RDKit
 
RGroupMatching - Enum in org.RDKit
 
RingComparator - Enum in org.RDKit
 
RingInfo - Class in org.RDKit
A class to store information about a molecule's rings.
RingInfo(long, boolean) - Constructor for class org.RDKit.RingInfo
 
RingInfo() - Constructor for class org.RDKit.RingInfo
 
RingInfo(RingInfo) - Constructor for class org.RDKit.RingInfo
 
RingInfo_addRing(long, RingInfo, long, Int_Vect, long, Int_Vect) - Static method in class org.RDKit.RDKFuncsJNI
 
RingInfo_atomRings(long, RingInfo) - Static method in class org.RDKit.RDKFuncsJNI
 
RingInfo_bondRings(long, RingInfo) - Static method in class org.RDKit.RDKFuncsJNI
 
RingInfo_initialize(long, RingInfo) - Static method in class org.RDKit.RDKFuncsJNI
 
RingInfo_isAtomInRingOfSize(long, RingInfo, long, long) - Static method in class org.RDKit.RDKFuncsJNI
 
RingInfo_isBondInRingOfSize(long, RingInfo, long, long) - Static method in class org.RDKit.RDKFuncsJNI
 
RingInfo_isInitialized(long, RingInfo) - Static method in class org.RDKit.RDKFuncsJNI
 
RingInfo_minAtomRingSize(long, RingInfo, long) - Static method in class org.RDKit.RDKFuncsJNI
 
RingInfo_minBondRingSize(long, RingInfo, long) - Static method in class org.RDKit.RDKFuncsJNI
 
RingInfo_numAtomRings(long, RingInfo, long) - Static method in class org.RDKit.RDKFuncsJNI
 
RingInfo_numBondRings(long, RingInfo, long) - Static method in class org.RDKit.RDKFuncsJNI
 
RingInfo_numRings(long, RingInfo) - Static method in class org.RDKit.RDKFuncsJNI
 
RingInfo_reset(long, RingInfo) - Static method in class org.RDKit.RDKFuncsJNI
 
ringMembership_get() - Static method in class org.RDKit.RDKFuncsJNI
 
ROMol - Class in org.RDKit
ROMol is a molecule class that is intended to have a fixed topology.
ROMol(long, boolean) - Constructor for class org.RDKit.ROMol
 
ROMol() - Constructor for class org.RDKit.ROMol
 
ROMol(ROMol, boolean, int) - Constructor for class org.RDKit.ROMol
 
ROMol(ROMol, boolean) - Constructor for class org.RDKit.ROMol
 
ROMol(ROMol) - Constructor for class org.RDKit.ROMol
 
ROMol(String) - Constructor for class org.RDKit.ROMol
 
ROMol_addConformer__SWIG_0(long, ROMol, long, Conformer, boolean) - Static method in class org.RDKit.RDKFuncsJNI
 
ROMol_addConformer__SWIG_1(long, ROMol, long, Conformer) - Static method in class org.RDKit.RDKFuncsJNI
 
ROMol_addHs__SWIG_0(long, ROMol, boolean, boolean) - Static method in class org.RDKit.RDKFuncsJNI
 
ROMol_addHs__SWIG_1(long, ROMol, boolean) - Static method in class org.RDKit.RDKFuncsJNI
 
ROMol_alignMol__SWIG_0(long, ROMol, long, ROMol, int, int, long, Match_Vect, long, boolean, long) - Static method in class org.RDKit.RDKFuncsJNI
 
ROMol_alignMol__SWIG_1(long, ROMol, long, ROMol, int, int, long, Match_Vect, long, boolean) - Static method in class org.RDKit.RDKFuncsJNI
 
ROMol_alignMol__SWIG_2(long, ROMol, long, ROMol, int, int, long, Match_Vect, long) - Static method in class org.RDKit.RDKFuncsJNI
 
ROMol_alignMol__SWIG_3(long, ROMol, long, ROMol, int, int, long, Match_Vect) - Static method in class org.RDKit.RDKFuncsJNI
 
ROMol_alignMol__SWIG_4(long, ROMol, long, ROMol, int, int) - Static method in class org.RDKit.RDKFuncsJNI
 
ROMol_alignMol__SWIG_5(long, ROMol, long, ROMol, int) - Static method in class org.RDKit.RDKFuncsJNI
 
ROMol_alignMol__SWIG_6(long, ROMol, long, ROMol) - Static method in class org.RDKit.RDKFuncsJNI
 
ROMol_alignMolConformers__SWIG_0(long, ROMol, long, ROMol, long, UInt_Vect, long, UInt_Vect, long, boolean, long) - Static method in class org.RDKit.RDKFuncsJNI
 
ROMol_alignMolConformers__SWIG_1(long, ROMol, long, ROMol, long, UInt_Vect, long, UInt_Vect, long, boolean) - Static method in class org.RDKit.RDKFuncsJNI
 
ROMol_alignMolConformers__SWIG_2(long, ROMol, long, ROMol, long, UInt_Vect, long, UInt_Vect, long) - Static method in class org.RDKit.RDKFuncsJNI
 
ROMol_alignMolConformers__SWIG_3(long, ROMol, long, ROMol, long, UInt_Vect, long, UInt_Vect) - Static method in class org.RDKit.RDKFuncsJNI
 
ROMol_alignMolConformers__SWIG_4(long, ROMol, long, ROMol, long, UInt_Vect) - Static method in class org.RDKit.RDKFuncsJNI
 
ROMol_alignMolConformers__SWIG_5(long, ROMol, long, ROMol) - Static method in class org.RDKit.RDKFuncsJNI
 
ROMol_atoms__SWIG_0(long, ROMol) - Static method in class org.RDKit.RDKFuncsJNI
 
ROMol_beginAromaticAtoms__SWIG_0(long, ROMol) - Static method in class org.RDKit.RDKFuncsJNI
 
ROMol_beginAtoms__SWIG_0(long, ROMol) - Static method in class org.RDKit.RDKFuncsJNI
 
ROMol_beginBonds__SWIG_0(long, ROMol) - Static method in class org.RDKit.RDKFuncsJNI
 
ROMol_beginConformers__SWIG_0(long, ROMol) - Static method in class org.RDKit.RDKFuncsJNI
 
ROMol_beginHeteros__SWIG_0(long, ROMol) - Static method in class org.RDKit.RDKFuncsJNI
 
ROMol_beginMatchingAtoms__SWIG_0(long, ROMol, long) - Static method in class org.RDKit.RDKFuncsJNI
 
ROMol_beginMatchingAtoms__SWIG_1(long, ROMol, long) - Static method in class org.RDKit.RDKFuncsJNI
 
ROMol_beginQueryAtoms__SWIG_0(long, ROMol, long, QueryAtom) - Static method in class org.RDKit.RDKFuncsJNI
 
ROMol_bonds__SWIG_0(long, ROMol) - Static method in class org.RDKit.RDKFuncsJNI
 
ROMol_canonicalizeMol__SWIG_0(long, ROMol, boolean, boolean) - Static method in class org.RDKit.RDKFuncsJNI
 
ROMol_canonicalizeMol__SWIG_1(long, ROMol, boolean) - Static method in class org.RDKit.RDKFuncsJNI
 
ROMol_canonicalizeMol__SWIG_2(long, ROMol) - Static method in class org.RDKit.RDKFuncsJNI
 
ROMol_clearAllAtomBookmarks(long, ROMol) - Static method in class org.RDKit.RDKFuncsJNI
 
ROMol_clearAllBondBookmarks(long, ROMol) - Static method in class org.RDKit.RDKFuncsJNI
 
ROMol_clearAtomBookmark__SWIG_0(long, ROMol, int) - Static method in class org.RDKit.RDKFuncsJNI
 
ROMol_clearAtomBookmark__SWIG_1(long, ROMol, int, long, Atom) - Static method in class org.RDKit.RDKFuncsJNI
 
ROMol_clearBondBookmark__SWIG_0(long, ROMol, int) - Static method in class org.RDKit.RDKFuncsJNI
 
ROMol_clearBondBookmark__SWIG_1(long, ROMol, int, long, Bond) - Static method in class org.RDKit.RDKFuncsJNI
 
ROMol_clearComputedProps__SWIG_0(long, ROMol, boolean) - Static method in class org.RDKit.RDKFuncsJNI
 
ROMol_clearComputedProps__SWIG_1(long, ROMol) - Static method in class org.RDKit.RDKFuncsJNI
 
ROMol_clearConformers(long, ROMol) - Static method in class org.RDKit.RDKFuncsJNI
 
ROMol_ClearSingleBondDirFlags(long, ROMol) - Static method in class org.RDKit.RDKFuncsJNI
 
ROMol_compute2DCoords__SWIG_0(long, ROMol, long, Int_Point2D_Map, boolean, boolean, long, long, int, boolean, boolean) - Static method in class org.RDKit.RDKFuncsJNI
 
ROMol_compute2DCoords__SWIG_1(long, ROMol, long, Int_Point2D_Map, boolean, boolean, long, long, int, boolean) - Static method in class org.RDKit.RDKFuncsJNI
 
ROMol_compute2DCoords__SWIG_2(long, ROMol, long, Int_Point2D_Map, boolean, boolean, long, long, int) - Static method in class org.RDKit.RDKFuncsJNI
 
ROMol_compute2DCoords__SWIG_3(long, ROMol, long, Int_Point2D_Map, boolean, boolean, long, long) - Static method in class org.RDKit.RDKFuncsJNI
 
ROMol_compute2DCoords__SWIG_4(long, ROMol, long, Int_Point2D_Map, boolean, boolean, long) - Static method in class org.RDKit.RDKFuncsJNI
 
ROMol_compute2DCoords__SWIG_5(long, ROMol, long, Int_Point2D_Map, boolean, boolean) - Static method in class org.RDKit.RDKFuncsJNI
 
ROMol_compute2DCoords__SWIG_6(long, ROMol, long, Int_Point2D_Map, boolean) - Static method in class org.RDKit.RDKFuncsJNI
 
ROMol_compute2DCoords__SWIG_7(long, ROMol, long, Int_Point2D_Map) - Static method in class org.RDKit.RDKFuncsJNI
 
ROMol_compute2DCoords__SWIG_8(long, ROMol) - Static method in class org.RDKit.RDKFuncsJNI
 
ROMol_compute2DCoords__SWIG_9(long, ROMol, long, ROMol) - Static method in class org.RDKit.RDKFuncsJNI
 
ROMol_compute2DCoordsMimicDistMat__SWIG_0(long, ROMol, long, boolean, boolean, double, long, long, int, boolean, boolean) - Static method in class org.RDKit.RDKFuncsJNI
 
ROMol_compute2DCoordsMimicDistMat__SWIG_1(long, ROMol, long, boolean, boolean, double, long, long, int, boolean) - Static method in class org.RDKit.RDKFuncsJNI
 
ROMol_compute2DCoordsMimicDistMat__SWIG_2(long, ROMol, long, boolean, boolean, double, long, long, int) - Static method in class org.RDKit.RDKFuncsJNI
 
ROMol_compute2DCoordsMimicDistMat__SWIG_3(long, ROMol, long, boolean, boolean, double, long, long) - Static method in class org.RDKit.RDKFuncsJNI
 
ROMol_compute2DCoordsMimicDistMat__SWIG_4(long, ROMol, long, boolean, boolean, double, long) - Static method in class org.RDKit.RDKFuncsJNI
 
ROMol_compute2DCoordsMimicDistMat__SWIG_5(long, ROMol, long, boolean, boolean, double) - Static method in class org.RDKit.RDKFuncsJNI
 
ROMol_compute2DCoordsMimicDistMat__SWIG_6(long, ROMol, long, boolean, boolean) - Static method in class org.RDKit.RDKFuncsJNI
 
ROMol_compute2DCoordsMimicDistMat__SWIG_7(long, ROMol, long, boolean) - Static method in class org.RDKit.RDKFuncsJNI
 
ROMol_compute2DCoordsMimicDistMat__SWIG_8(long, ROMol, long) - Static method in class org.RDKit.RDKFuncsJNI
 
ROMol_compute2DCoordsMimicDistMat__SWIG_9(long, ROMol) - Static method in class org.RDKit.RDKFuncsJNI
 
ROMol_computeGasteigerCharges__SWIG_0(long, ROMol, long, ROMol, int, boolean) - Static method in class org.RDKit.RDKFuncsJNI
 
ROMol_computeGasteigerCharges__SWIG_1(long, ROMol, long, ROMol, int) - Static method in class org.RDKit.RDKFuncsJNI
 
ROMol_computeGasteigerCharges__SWIG_2(long, ROMol, long, ROMol) - Static method in class org.RDKit.RDKFuncsJNI
 
ROMol_computeGasteigerCharges__SWIG_3(long, ROMol, long, ROMol, long, Double_Vect, int, boolean) - Static method in class org.RDKit.RDKFuncsJNI
 
ROMol_computeGasteigerCharges__SWIG_4(long, ROMol, long, ROMol, long, Double_Vect, int) - Static method in class org.RDKit.RDKFuncsJNI
 
ROMol_computeGasteigerCharges__SWIG_5(long, ROMol, long, ROMol, long, Double_Vect) - Static method in class org.RDKit.RDKFuncsJNI
 
ROMol_debugMol(long, ROMol, long) - Static method in class org.RDKit.RDKFuncsJNI
 
ROMol_deleteSubstructs(long, ROMol, long, ROMol, boolean) - Static method in class org.RDKit.RDKFuncsJNI
 
ROMol_DetectBondStereoChemistry(long, ROMol, long, Conformer) - Static method in class org.RDKit.RDKFuncsJNI
 
ROMol_endAromaticAtoms__SWIG_0(long, ROMol) - Static method in class org.RDKit.RDKFuncsJNI
 
ROMol_endAtoms__SWIG_0(long, ROMol) - Static method in class org.RDKit.RDKFuncsJNI
 
ROMol_endBonds__SWIG_0(long, ROMol) - Static method in class org.RDKit.RDKFuncsJNI
 
ROMol_endConformers__SWIG_0(long, ROMol) - Static method in class org.RDKit.RDKFuncsJNI
 
ROMol_endHeteros__SWIG_0(long, ROMol) - Static method in class org.RDKit.RDKFuncsJNI
 
ROMol_endMatchingAtoms__SWIG_0(long, ROMol) - Static method in class org.RDKit.RDKFuncsJNI
 
ROMol_endQueryAtoms__SWIG_0(long, ROMol) - Static method in class org.RDKit.RDKFuncsJNI
 
ROMol_findSSSR__SWIG_0(long, ROMol, long, Int_Vect_Vect) - Static method in class org.RDKit.RDKFuncsJNI
 
ROMol_findSSSR__SWIG_1(long, ROMol) - Static method in class org.RDKit.RDKFuncsJNI
 
ROMol_generateDepictionMatching2DStructure__SWIG_0(long, ROMol, long, ROMol, int, boolean, boolean) - Static method in class org.RDKit.RDKFuncsJNI
 
ROMol_generateDepictionMatching2DStructure__SWIG_1(long, ROMol, long, ROMol, int, boolean) - Static method in class org.RDKit.RDKFuncsJNI
 
ROMol_generateDepictionMatching2DStructure__SWIG_2(long, ROMol, long, ROMol, int) - Static method in class org.RDKit.RDKFuncsJNI
 
ROMol_generateDepictionMatching2DStructure__SWIG_3(long, ROMol, long, ROMol) - Static method in class org.RDKit.RDKFuncsJNI
 
ROMol_generateDepictionMatching2DStructure__SWIG_4(long, ROMol, long, ROMol, int, long, ROMol, boolean, boolean) - Static method in class org.RDKit.RDKFuncsJNI
 
ROMol_generateDepictionMatching2DStructure__SWIG_5(long, ROMol, long, ROMol, int, long, ROMol, boolean) - Static method in class org.RDKit.RDKFuncsJNI
 
ROMol_generateDepictionMatching2DStructure__SWIG_6(long, ROMol, long, ROMol, int, long, ROMol) - Static method in class org.RDKit.RDKFuncsJNI
 
ROMol_getAdjacencyMatrix__SWIG_0(long, ROMol, boolean, int, boolean, String) - Static method in class org.RDKit.RDKFuncsJNI
 
ROMol_getAdjacencyMatrix__SWIG_1(long, ROMol, boolean, int, boolean) - Static method in class org.RDKit.RDKFuncsJNI
 
ROMol_getAdjacencyMatrix__SWIG_2(long, ROMol, boolean, int) - Static method in class org.RDKit.RDKFuncsJNI
 
ROMol_getAdjacencyMatrix__SWIG_3(long, ROMol, boolean) - Static method in class org.RDKit.RDKFuncsJNI
 
ROMol_getAdjacencyMatrix__SWIG_4(long, ROMol) - Static method in class org.RDKit.RDKFuncsJNI
 
ROMol_getAlignmentTransform__SWIG_0(long, ROMol, long, ROMol, long, Transform3D, int, int, long, Match_Vect, long, boolean, long) - Static method in class org.RDKit.RDKFuncsJNI
 
ROMol_getAlignmentTransform__SWIG_1(long, ROMol, long, ROMol, long, Transform3D, int, int, long, Match_Vect, long, boolean) - Static method in class org.RDKit.RDKFuncsJNI
 
ROMol_getAlignmentTransform__SWIG_2(long, ROMol, long, ROMol, long, Transform3D, int, int, long, Match_Vect, long) - Static method in class org.RDKit.RDKFuncsJNI
 
ROMol_getAlignmentTransform__SWIG_3(long, ROMol, long, ROMol, long, Transform3D, int, int, long, Match_Vect) - Static method in class org.RDKit.RDKFuncsJNI
 
ROMol_getAlignmentTransform__SWIG_4(long, ROMol, long, ROMol, long, Transform3D, int, int) - Static method in class org.RDKit.RDKFuncsJNI
 
ROMol_getAlignmentTransform__SWIG_5(long, ROMol, long, ROMol, long, Transform3D, int) - Static method in class org.RDKit.RDKFuncsJNI
 
ROMol_getAlignmentTransform__SWIG_6(long, ROMol, long, ROMol, long, Transform3D) - Static method in class org.RDKit.RDKFuncsJNI
 
ROMol_getAllAtomsWithBookmark(long, ROMol, int) - Static method in class org.RDKit.RDKFuncsJNI
 
ROMol_getAllBondsWithBookmark(long, ROMol, int) - Static method in class org.RDKit.RDKFuncsJNI
 
ROMol_getAtomBonds(long, ROMol, long, Atom) - Static method in class org.RDKit.RDKFuncsJNI
 
ROMol_getAtomBookmarks(long, ROMol) - Static method in class org.RDKit.RDKFuncsJNI
 
ROMol_getAtomDegree(long, ROMol, long, Atom) - Static method in class org.RDKit.RDKFuncsJNI
 
ROMol_getAtomNeighbors(long, ROMol, long, Atom) - Static method in class org.RDKit.RDKFuncsJNI
 
ROMol_getAtoms(long, ROMol) - Static method in class org.RDKit.RDKFuncsJNI
 
ROMol_getAtomWithBookmark(long, ROMol, int) - Static method in class org.RDKit.RDKFuncsJNI
 
ROMol_getAtomWithIdx(long, ROMol, long) - Static method in class org.RDKit.RDKFuncsJNI
 
ROMol_getBondBetweenAtoms(long, ROMol, long, long) - Static method in class org.RDKit.RDKFuncsJNI
 
ROMol_getBondBookmarks(long, ROMol) - Static method in class org.RDKit.RDKFuncsJNI
 
ROMol_getBondWithBookmark(long, ROMol, int) - Static method in class org.RDKit.RDKFuncsJNI
 
ROMol_getBondWithIdx(long, ROMol, long) - Static method in class org.RDKit.RDKFuncsJNI
 
ROMol_getConformer__SWIG_0(long, ROMol, int) - Static method in class org.RDKit.RDKFuncsJNI
 
ROMol_getConformer__SWIG_1(long, ROMol) - Static method in class org.RDKit.RDKFuncsJNI
 
ROMol_getDistanceMat__SWIG_0(long, ROMol, boolean, boolean, boolean, String) - Static method in class org.RDKit.RDKFuncsJNI
 
ROMol_getDistanceMat__SWIG_1(long, ROMol, boolean, boolean, boolean) - Static method in class org.RDKit.RDKFuncsJNI
 
ROMol_getDistanceMat__SWIG_2(long, ROMol, boolean, boolean) - Static method in class org.RDKit.RDKFuncsJNI
 
ROMol_getDistanceMat__SWIG_3(long, ROMol, boolean) - Static method in class org.RDKit.RDKFuncsJNI
 
ROMol_getDistanceMat__SWIG_4(long, ROMol) - Static method in class org.RDKit.RDKFuncsJNI
 
ROMol_getDistanceMat__SWIG_5(long, ROMol, long, Int_Vect, long, boolean, boolean) - Static method in class org.RDKit.RDKFuncsJNI
 
ROMol_getDistanceMat__SWIG_6(long, ROMol, long, Int_Vect, long, boolean) - Static method in class org.RDKit.RDKFuncsJNI
 
ROMol_getDistanceMat__SWIG_7(long, ROMol, long, Int_Vect, long) - Static method in class org.RDKit.RDKFuncsJNI
 
ROMol_getNumAtoms__SWIG_0(long, ROMol, boolean) - Static method in class org.RDKit.RDKFuncsJNI
 
ROMol_getNumAtoms__SWIG_1(long, ROMol) - Static method in class org.RDKit.RDKFuncsJNI
 
ROMol_getNumBonds__SWIG_0(long, ROMol, boolean) - Static method in class org.RDKit.RDKFuncsJNI
 
ROMol_getNumBonds__SWIG_1(long, ROMol) - Static method in class org.RDKit.RDKFuncsJNI
 
ROMol_getNumConformers(long, ROMol) - Static method in class org.RDKit.RDKFuncsJNI
 
ROMol_getNumHeavyAtoms(long, ROMol) - Static method in class org.RDKit.RDKFuncsJNI
 
ROMol_getProp(long, ROMol, String) - Static method in class org.RDKit.RDKFuncsJNI
 
ROMol_getRingInfo(long, ROMol) - Static method in class org.RDKit.RDKFuncsJNI
 
ROMol_getShortestPath(long, ROMol, int, int) - Static method in class org.RDKit.RDKFuncsJNI
 
ROMol_getStereoGroups(long, ROMol) - Static method in class org.RDKit.RDKFuncsJNI
 
ROMol_getSubstructMatch__SWIG_0(long, ROMol, long, ROMol, long, SubstructMatchParameters) - Static method in class org.RDKit.RDKFuncsJNI
 
ROMol_getSubstructMatch__SWIG_1(long, ROMol, long, ROMol, boolean) - Static method in class org.RDKit.RDKFuncsJNI
 
ROMol_getSubstructMatch__SWIG_2(long, ROMol, long, ROMol) - Static method in class org.RDKit.RDKFuncsJNI
 
ROMol_getSubstructMatches__SWIG_0(long, ROMol, long, ROMol, long, SubstructMatchParameters) - Static method in class org.RDKit.RDKFuncsJNI
 
ROMol_getSubstructMatches__SWIG_1(long, ROMol, long, ROMol, boolean, boolean) - Static method in class org.RDKit.RDKFuncsJNI
 
ROMol_getSubstructMatches__SWIG_2(long, ROMol, long, ROMol, boolean) - Static method in class org.RDKit.RDKFuncsJNI
 
ROMol_getSubstructMatches__SWIG_3(long, ROMol, long, ROMol) - Static method in class org.RDKit.RDKFuncsJNI
 
ROMol_getUniqueAtomWithBookmark(long, ROMol, int) - Static method in class org.RDKit.RDKFuncsJNI
 
ROMol_getUniqueBondWithBookmark(long, ROMol, int) - Static method in class org.RDKit.RDKFuncsJNI
 
ROMol_hasAtomBookmark(long, ROMol, int) - Static method in class org.RDKit.RDKFuncsJNI
 
ROMol_hasBondBookmark(long, ROMol, int) - Static method in class org.RDKit.RDKFuncsJNI
 
ROMol_hasSubstructMatch__SWIG_0(long, ROMol, long, ROMol, boolean) - Static method in class org.RDKit.RDKFuncsJNI
 
ROMol_hasSubstructMatch__SWIG_1(long, ROMol, long, ROMol) - Static method in class org.RDKit.RDKFuncsJNI
 
ROMol_hasSubstructMatch__SWIG_2(long, ROMol, long, ROMol, long, SubstructMatchParameters) - Static method in class org.RDKit.RDKFuncsJNI
 
ROMol_mergeQueryHs(long, ROMol) - Static method in class org.RDKit.RDKFuncsJNI
 
ROMol_MolFromBinary(long, Int_Vect) - Static method in class org.RDKit.RDKFuncsJNI
 
ROMol_MolToFASTA(long, ROMol) - Static method in class org.RDKit.RDKFuncsJNI
 
ROMol_MolToHELM(long, ROMol) - Static method in class org.RDKit.RDKFuncsJNI
 
ROMol_MolToMolBlock__SWIG_0(long, ROMol, boolean, int) - Static method in class org.RDKit.RDKFuncsJNI
 
ROMol_MolToMolBlock__SWIG_1(long, ROMol, boolean) - Static method in class org.RDKit.RDKFuncsJNI
 
ROMol_MolToMolBlock__SWIG_2(long, ROMol) - Static method in class org.RDKit.RDKFuncsJNI
 
ROMol_MolToMolFile__SWIG_0(long, ROMol, String, boolean, int, boolean) - Static method in class org.RDKit.RDKFuncsJNI
 
ROMol_MolToMolFile__SWIG_1(long, ROMol, String, boolean, int) - Static method in class org.RDKit.RDKFuncsJNI
 
ROMol_MolToMolFile__SWIG_2(long, ROMol, String, boolean) - Static method in class org.RDKit.RDKFuncsJNI
 
ROMol_MolToMolFile__SWIG_3(long, ROMol, String) - Static method in class org.RDKit.RDKFuncsJNI
 
ROMol_MolToPDBBlock__SWIG_0(long, ROMol, int, long) - Static method in class org.RDKit.RDKFuncsJNI
 
ROMol_MolToPDBBlock__SWIG_1(long, ROMol, int) - Static method in class org.RDKit.RDKFuncsJNI
 
ROMol_MolToPDBBlock__SWIG_2(long, ROMol) - Static method in class org.RDKit.RDKFuncsJNI
 
ROMol_MolToPDBFile__SWIG_0(long, ROMol, String, int, long) - Static method in class org.RDKit.RDKFuncsJNI
 
ROMol_MolToPDBFile__SWIG_1(long, ROMol, String, int) - Static method in class org.RDKit.RDKFuncsJNI
 
ROMol_MolToPDBFile__SWIG_2(long, ROMol, String) - Static method in class org.RDKit.RDKFuncsJNI
 
ROMol_MolToSequence(long, ROMol) - Static method in class org.RDKit.RDKFuncsJNI
 
ROMol_MolToSmiles__SWIG_0(long, ROMol, boolean, boolean, int) - Static method in class org.RDKit.RDKFuncsJNI
 
ROMol_MolToSmiles__SWIG_1(long, ROMol, boolean, boolean) - Static method in class org.RDKit.RDKFuncsJNI
 
ROMol_MolToSmiles__SWIG_2(long, ROMol, boolean) - Static method in class org.RDKit.RDKFuncsJNI
 
ROMol_MolToSmiles__SWIG_3(long, ROMol) - Static method in class org.RDKit.RDKFuncsJNI
 
ROMol_MolToTPLFile__SWIG_0(long, ROMol, String, String, boolean) - Static method in class org.RDKit.RDKFuncsJNI
 
ROMol_MolToTPLFile__SWIG_1(long, ROMol, String, String) - Static method in class org.RDKit.RDKFuncsJNI
 
ROMol_MolToTPLFile__SWIG_2(long, ROMol, String) - Static method in class org.RDKit.RDKFuncsJNI
 
ROMol_MolToTPLText__SWIG_0(long, ROMol, String, boolean) - Static method in class org.RDKit.RDKFuncsJNI
 
ROMol_MolToTPLText__SWIG_1(long, ROMol, String) - Static method in class org.RDKit.RDKFuncsJNI
 
ROMol_MolToTPLText__SWIG_2(long, ROMol) - Static method in class org.RDKit.RDKFuncsJNI
 
ROMol_MolToXYZBlock__SWIG_0(long, ROMol, int) - Static method in class org.RDKit.RDKFuncsJNI
 
ROMol_MolToXYZBlock__SWIG_1(long, ROMol) - Static method in class org.RDKit.RDKFuncsJNI
 
ROMol_MolToXYZFile__SWIG_0(long, ROMol, String, int) - Static method in class org.RDKit.RDKFuncsJNI
 
ROMol_MolToXYZFile__SWIG_1(long, ROMol, String) - Static method in class org.RDKit.RDKFuncsJNI
 
ROMol_needsUpdatePropertyCache(long, ROMol) - Static method in class org.RDKit.RDKFuncsJNI
 
ROMol_O3AAlignMol__SWIG_0(long, ROMol, long, ROMol, int, int, boolean, long, long) - Static method in class org.RDKit.RDKFuncsJNI
 
ROMol_O3AAlignMol__SWIG_1(long, ROMol, long, ROMol, int, int, boolean, long) - Static method in class org.RDKit.RDKFuncsJNI
 
ROMol_O3AAlignMol__SWIG_2(long, ROMol, long, ROMol, int, int, boolean) - Static method in class org.RDKit.RDKFuncsJNI
 
ROMol_O3AAlignMol__SWIG_3(long, ROMol, long, ROMol, int, int) - Static method in class org.RDKit.RDKFuncsJNI
 
ROMol_O3AAlignMol__SWIG_4(long, ROMol, long, ROMol, int) - Static method in class org.RDKit.RDKFuncsJNI
 
ROMol_O3AAlignMol__SWIG_5(long, ROMol, long, ROMol) - Static method in class org.RDKit.RDKFuncsJNI
 
ROMol_pickBondsToWedge(long, ROMol) - Static method in class org.RDKit.RDKFuncsJNI
 
ROMol_rankMolAtoms__SWIG_0(long, ROMol, long, UInt_Vect, boolean, boolean, boolean) - Static method in class org.RDKit.RDKFuncsJNI
 
ROMol_rankMolAtoms__SWIG_1(long, ROMol, long, UInt_Vect, boolean, boolean) - Static method in class org.RDKit.RDKFuncsJNI
 
ROMol_rankMolAtoms__SWIG_2(long, ROMol, long, UInt_Vect, boolean) - Static method in class org.RDKit.RDKFuncsJNI
 
ROMol_rankMolAtoms__SWIG_3(long, ROMol, long, UInt_Vect) - Static method in class org.RDKit.RDKFuncsJNI
 
ROMol_removeConformer(long, ROMol, long) - Static method in class org.RDKit.RDKFuncsJNI
 
ROMol_removeHs__SWIG_0(long, ROMol, boolean, boolean, boolean) - Static method in class org.RDKit.RDKFuncsJNI
 
ROMol_removeHs__SWIG_1(long, ROMol, boolean, boolean) - Static method in class org.RDKit.RDKFuncsJNI
 
ROMol_removeHs__SWIG_2(long, ROMol, boolean) - Static method in class org.RDKit.RDKFuncsJNI
 
ROMol_replaceAtomBookmark(long, ROMol, long, Atom, int) - Static method in class org.RDKit.RDKFuncsJNI
 
ROMol_replaceCore__SWIG_0(long, ROMol, long, ROMol, boolean, boolean) - Static method in class org.RDKit.RDKFuncsJNI
 
ROMol_replaceCore__SWIG_1(long, ROMol, long, ROMol, boolean) - Static method in class org.RDKit.RDKFuncsJNI
 
ROMol_replaceCore__SWIG_2(long, ROMol, long, ROMol) - Static method in class org.RDKit.RDKFuncsJNI
 
ROMol_replaceSidechains(long, ROMol, long, ROMol) - Static method in class org.RDKit.RDKFuncsJNI
 
ROMol_replaceSubstructs__SWIG_0(long, ROMol, long, ROMol, long, ROMol, boolean) - Static method in class org.RDKit.RDKFuncsJNI
 
ROMol_replaceSubstructs__SWIG_1(long, ROMol, long, ROMol, long, ROMol) - Static method in class org.RDKit.RDKFuncsJNI
 
ROMol_setAtomBookmark(long, ROMol, long, Atom, int) - Static method in class org.RDKit.RDKFuncsJNI
 
ROMol_setBondBookmark(long, ROMol, long, Bond, int) - Static method in class org.RDKit.RDKFuncsJNI
 
ROMol_setConjugation(long, ROMol) - Static method in class org.RDKit.RDKFuncsJNI
 
ROMol_setHybridization(long, ROMol) - Static method in class org.RDKit.RDKFuncsJNI
 
ROMol_SWIGSmartPtrUpcast(long) - Static method in class org.RDKit.RDKFuncsJNI
 
ROMol_symmetrizeSSSR__SWIG_0(long, ROMol, long, Int_Vect_Vect) - Static method in class org.RDKit.RDKFuncsJNI
 
ROMol_symmetrizeSSSR__SWIG_1(long, ROMol) - Static method in class org.RDKit.RDKFuncsJNI
 
ROMol_ToBinary(long, ROMol) - Static method in class org.RDKit.RDKFuncsJNI
 
ROMol_ToSVG__SWIG_0(long, ROMol, long, Int_Vect, int, int) - Static method in class org.RDKit.RDKFuncsJNI
 
ROMol_ToSVG__SWIG_1(long, ROMol, long, Int_Vect, int) - Static method in class org.RDKit.RDKFuncsJNI
 
ROMol_ToSVG__SWIG_2(long, ROMol, long, Int_Vect) - Static method in class org.RDKit.RDKFuncsJNI
 
ROMol_ToSVG__SWIG_3(long, ROMol, int, int) - Static method in class org.RDKit.RDKFuncsJNI
 
ROMol_ToSVG__SWIG_4(long, ROMol, int) - Static method in class org.RDKit.RDKFuncsJNI
 
ROMol_ToSVG__SWIG_5(long, ROMol) - Static method in class org.RDKit.RDKFuncsJNI
 
ROMol_transformMolsAtoms(long, ROMol, long, Transform3D) - Static method in class org.RDKit.RDKFuncsJNI
 
ROMol_updatePropertyCache__SWIG_0(long, ROMol, boolean) - Static method in class org.RDKit.RDKFuncsJNI
 
ROMol_updatePropertyCache__SWIG_1(long, ROMol) - Static method in class org.RDKit.RDKFuncsJNI
 
ROMol_Vect - Class in org.RDKit
 
ROMol_Vect(long, boolean) - Constructor for class org.RDKit.ROMol_Vect
 
ROMol_Vect() - Constructor for class org.RDKit.ROMol_Vect
 
ROMol_Vect(long) - Constructor for class org.RDKit.ROMol_Vect
 
ROMol_Vect_add(long, ROMol_Vect, long, ROMol) - Static method in class org.RDKit.RDKFuncsJNI
 
ROMol_Vect_capacity(long, ROMol_Vect) - Static method in class org.RDKit.RDKFuncsJNI
 
ROMol_Vect_clear(long, ROMol_Vect) - Static method in class org.RDKit.RDKFuncsJNI
 
ROMol_Vect_equals(long, ROMol_Vect, long, ROMol_Vect) - Static method in class org.RDKit.RDKFuncsJNI
 
ROMol_Vect_get(long, ROMol_Vect, int) - Static method in class org.RDKit.RDKFuncsJNI
 
ROMol_Vect_isEmpty(long, ROMol_Vect) - Static method in class org.RDKit.RDKFuncsJNI
 
ROMol_Vect_reserve(long, ROMol_Vect, long) - Static method in class org.RDKit.RDKFuncsJNI
 
ROMol_Vect_set(long, ROMol_Vect, int, long, ROMol) - Static method in class org.RDKit.RDKFuncsJNI
 
ROMol_Vect_size(long, ROMol_Vect) - Static method in class org.RDKit.RDKFuncsJNI
 
ROMol_Vect_Vect - Class in org.RDKit
 
ROMol_Vect_Vect(long, boolean) - Constructor for class org.RDKit.ROMol_Vect_Vect
 
ROMol_Vect_Vect() - Constructor for class org.RDKit.ROMol_Vect_Vect
 
ROMol_Vect_Vect(long) - Constructor for class org.RDKit.ROMol_Vect_Vect
 
ROMol_Vect_Vect_add(long, ROMol_Vect_Vect, long, ROMol_Vect) - Static method in class org.RDKit.RDKFuncsJNI
 
ROMol_Vect_Vect_capacity(long, ROMol_Vect_Vect) - Static method in class org.RDKit.RDKFuncsJNI
 
ROMol_Vect_Vect_clear(long, ROMol_Vect_Vect) - Static method in class org.RDKit.RDKFuncsJNI
 
ROMol_Vect_Vect_equals(long, ROMol_Vect_Vect, long, ROMol_Vect_Vect) - Static method in class org.RDKit.RDKFuncsJNI
 
ROMol_Vect_Vect_get(long, ROMol_Vect_Vect, int) - Static method in class org.RDKit.RDKFuncsJNI
 
ROMol_Vect_Vect_isEmpty(long, ROMol_Vect_Vect) - Static method in class org.RDKit.RDKFuncsJNI
 
ROMol_Vect_Vect_reserve(long, ROMol_Vect_Vect, long) - Static method in class org.RDKit.RDKFuncsJNI
 
ROMol_Vect_Vect_set(long, ROMol_Vect_Vect, int, long, ROMol_Vect) - Static method in class org.RDKit.RDKFuncsJNI
 
ROMol_Vect_Vect_size(long, ROMol_Vect_Vect) - Static method in class org.RDKit.RDKFuncsJNI
 
ROMol_WedgeMolBonds(long, ROMol, long, Conformer) - Static method in class org.RDKit.RDKFuncsJNI
 
rotate90() - Method in class org.RDKit.Point2D
 
round(double) - Static method in class org.RDKit.RDKFuncs
 
round(double) - Static method in class org.RDKit.RDKFuncsJNI
 
RunFilterCatalog(FilterCatalog, Str_Vect, int) - Static method in class org.RDKit.RDKFuncs
 
RunFilterCatalog(FilterCatalog, Str_Vect) - Static method in class org.RDKit.RDKFuncs
 
RunFilterCatalog__SWIG_0(long, FilterCatalog, long, Str_Vect, int) - Static method in class org.RDKit.RDKFuncsJNI
 
RunFilterCatalog__SWIG_1(long, FilterCatalog, long, Str_Vect) - Static method in class org.RDKit.RDKFuncsJNI
 
runReactant(ROMol, long) - Method in class org.RDKit.ChemicalReaction
 
runReactants(ROMol_Vect, long) - Method in class org.RDKit.ChemicalReaction
 
runReactants(ROMol_Vect) - Method in class org.RDKit.ChemicalReaction
Runs the reaction on a set of reactants.
RusselSimilarity(ExplicitBitVect, ExplicitBitVect) - Static method in class org.RDKit.RDKFuncs
 
RusselSimilarity(long, ExplicitBitVect, long, ExplicitBitVect) - Static method in class org.RDKit.RDKFuncsJNI
 
Rvdw() - Method in class org.RDKit.atomicData
 
RWMol - Class in org.RDKit
RWMol is a molecule class that is intended to be edited.
RWMol(long, boolean) - Constructor for class org.RDKit.RWMol
 
RWMol() - Constructor for class org.RDKit.RWMol
 
RWMol(ROMol, boolean, int) - Constructor for class org.RDKit.RWMol
 
RWMol(ROMol, boolean) - Constructor for class org.RDKit.RWMol
 
RWMol(ROMol) - Constructor for class org.RDKit.RWMol
 
RWMol(RWMol) - Constructor for class org.RDKit.RWMol
 
RWMol_addAtom__SWIG_0(long, RWMol, boolean) - Static method in class org.RDKit.RDKFuncsJNI
 
RWMol_addAtom__SWIG_1(long, RWMol) - Static method in class org.RDKit.RDKFuncsJNI
 
RWMol_addAtom__SWIG_2(long, RWMol, long, Atom, boolean) - Static method in class org.RDKit.RDKFuncsJNI
 
RWMol_addAtom__SWIG_3(long, RWMol, long, Atom) - Static method in class org.RDKit.RDKFuncsJNI
 
RWMol_addBond__SWIG_0(long, RWMol, long, long, int) - Static method in class org.RDKit.RDKFuncsJNI
 
RWMol_addBond__SWIG_1(long, RWMol, long, long) - Static method in class org.RDKit.RDKFuncsJNI
 
RWMol_addBond__SWIG_2(long, RWMol, long, Atom, long, Atom, int) - Static method in class org.RDKit.RDKFuncsJNI
 
RWMol_addBond__SWIG_3(long, RWMol, long, Atom, long, Atom) - Static method in class org.RDKit.RDKFuncsJNI
 
RWMol_addBond__SWIG_4(long, RWMol, long, Bond) - Static method in class org.RDKit.RDKFuncsJNI
 
RWMol_clear(long, RWMol) - Static method in class org.RDKit.RDKFuncsJNI
 
RWMol_createPartialBond__SWIG_0(long, RWMol, long, int) - Static method in class org.RDKit.RDKFuncsJNI
 
RWMol_createPartialBond__SWIG_1(long, RWMol, long) - Static method in class org.RDKit.RDKFuncsJNI
 
RWMol_DetectAtomStereoChemistry(long, RWMol, long, Conformer) - Static method in class org.RDKit.RDKFuncsJNI
 
RWMol_finishPartialBond__SWIG_0(long, RWMol, long, int, int) - Static method in class org.RDKit.RDKFuncsJNI
 
RWMol_finishPartialBond__SWIG_1(long, RWMol, long, int) - Static method in class org.RDKit.RDKFuncsJNI
 
RWMol_getActiveAtom(long, RWMol) - Static method in class org.RDKit.RDKFuncsJNI
 
RWMol_getLastAtom(long, RWMol) - Static method in class org.RDKit.RDKFuncsJNI
 
RWMol_insertMol(long, RWMol, long, ROMol) - Static method in class org.RDKit.RDKFuncsJNI
 
RWMol_Kekulize__SWIG_0(long, RWMol, boolean, long) - Static method in class org.RDKit.RDKFuncsJNI
 
RWMol_Kekulize__SWIG_1(long, RWMol, boolean) - Static method in class org.RDKit.RDKFuncsJNI
 
RWMol_Kekulize__SWIG_2(long, RWMol) - Static method in class org.RDKit.RDKFuncsJNI
 
RWMol_MolFromFASTA__SWIG_0(String, boolean, int) - Static method in class org.RDKit.RDKFuncsJNI
 
RWMol_MolFromFASTA__SWIG_1(String, boolean) - Static method in class org.RDKit.RDKFuncsJNI
 
RWMol_MolFromFASTA__SWIG_2(String) - Static method in class org.RDKit.RDKFuncsJNI
 
RWMol_MolFromHELM__SWIG_0(String, boolean) - Static method in class org.RDKit.RDKFuncsJNI
 
RWMol_MolFromHELM__SWIG_1(String) - Static method in class org.RDKit.RDKFuncsJNI
 
RWMol_MolFromMol2Block__SWIG_0(String, boolean, boolean, int, boolean) - Static method in class org.RDKit.RDKFuncsJNI
 
RWMol_MolFromMol2Block__SWIG_1(String, boolean, boolean, int) - Static method in class org.RDKit.RDKFuncsJNI
 
RWMol_MolFromMol2Block__SWIG_2(String, boolean, boolean) - Static method in class org.RDKit.RDKFuncsJNI
 
RWMol_MolFromMol2Block__SWIG_3(String, boolean) - Static method in class org.RDKit.RDKFuncsJNI
 
RWMol_MolFromMol2Block__SWIG_4(String) - Static method in class org.RDKit.RDKFuncsJNI
 
RWMol_MolFromMol2File__SWIG_0(String, boolean, boolean, int, boolean) - Static method in class org.RDKit.RDKFuncsJNI
 
RWMol_MolFromMol2File__SWIG_1(String, boolean, boolean, int) - Static method in class org.RDKit.RDKFuncsJNI
 
RWMol_MolFromMol2File__SWIG_2(String, boolean, boolean) - Static method in class org.RDKit.RDKFuncsJNI
 
RWMol_MolFromMol2File__SWIG_3(String, boolean) - Static method in class org.RDKit.RDKFuncsJNI
 
RWMol_MolFromMol2File__SWIG_4(String) - Static method in class org.RDKit.RDKFuncsJNI
 
RWMol_MolFromMolBlock__SWIG_0(String, boolean, boolean) - Static method in class org.RDKit.RDKFuncsJNI
 
RWMol_MolFromMolBlock__SWIG_1(String, boolean) - Static method in class org.RDKit.RDKFuncsJNI
 
RWMol_MolFromMolBlock__SWIG_2(String) - Static method in class org.RDKit.RDKFuncsJNI
 
RWMol_MolFromMolFile__SWIG_0(String, boolean, boolean) - Static method in class org.RDKit.RDKFuncsJNI
 
RWMol_MolFromMolFile__SWIG_1(String, boolean) - Static method in class org.RDKit.RDKFuncsJNI
 
RWMol_MolFromMolFile__SWIG_2(String) - Static method in class org.RDKit.RDKFuncsJNI
 
RWMol_MolFromPDBBlock__SWIG_0(String, boolean, boolean, long, boolean) - Static method in class org.RDKit.RDKFuncsJNI
 
RWMol_MolFromPDBBlock__SWIG_1(String, boolean, boolean, long) - Static method in class org.RDKit.RDKFuncsJNI
 
RWMol_MolFromPDBBlock__SWIG_2(String, boolean, boolean) - Static method in class org.RDKit.RDKFuncsJNI
 
RWMol_MolFromPDBBlock__SWIG_3(String, boolean) - Static method in class org.RDKit.RDKFuncsJNI
 
RWMol_MolFromPDBBlock__SWIG_4(String) - Static method in class org.RDKit.RDKFuncsJNI
 
RWMol_MolFromPDBFile__SWIG_0(String, boolean, boolean, long, boolean) - Static method in class org.RDKit.RDKFuncsJNI
 
RWMol_MolFromPDBFile__SWIG_1(String, boolean, boolean, long) - Static method in class org.RDKit.RDKFuncsJNI
 
RWMol_MolFromPDBFile__SWIG_2(String, boolean, boolean) - Static method in class org.RDKit.RDKFuncsJNI
 
RWMol_MolFromPDBFile__SWIG_3(String, boolean) - Static method in class org.RDKit.RDKFuncsJNI
 
RWMol_MolFromPDBFile__SWIG_4(String) - Static method in class org.RDKit.RDKFuncsJNI
 
RWMol_MolFromSequence__SWIG_0(String, boolean, int) - Static method in class org.RDKit.RDKFuncsJNI
 
RWMol_MolFromSequence__SWIG_1(String, boolean) - Static method in class org.RDKit.RDKFuncsJNI
 
RWMol_MolFromSequence__SWIG_2(String) - Static method in class org.RDKit.RDKFuncsJNI
 
RWMol_MolFromSmarts__SWIG_0(String, int, boolean, long, String_String_Map) - Static method in class org.RDKit.RDKFuncsJNI
 
RWMol_MolFromSmarts__SWIG_1(String, int, boolean) - Static method in class org.RDKit.RDKFuncsJNI
 
RWMol_MolFromSmarts__SWIG_2(String, int) - Static method in class org.RDKit.RDKFuncsJNI
 
RWMol_MolFromSmarts__SWIG_3(String) - Static method in class org.RDKit.RDKFuncsJNI
 
RWMol_MolFromSmiles__SWIG_0(String, int, boolean, long, String_String_Map) - Static method in class org.RDKit.RDKFuncsJNI
 
RWMol_MolFromSmiles__SWIG_1(String, int, boolean) - Static method in class org.RDKit.RDKFuncsJNI
 
RWMol_MolFromSmiles__SWIG_2(String, int) - Static method in class org.RDKit.RDKFuncsJNI
 
RWMol_MolFromSmiles__SWIG_3(String) - Static method in class org.RDKit.RDKFuncsJNI
 
RWMol_MolFromTPLFile__SWIG_0(String, boolean, boolean) - Static method in class org.RDKit.RDKFuncsJNI
 
RWMol_MolFromTPLFile__SWIG_1(String, boolean) - Static method in class org.RDKit.RDKFuncsJNI
 
RWMol_MolFromTPLFile__SWIG_2(String) - Static method in class org.RDKit.RDKFuncsJNI
 
RWMol_removeAtom__SWIG_0(long, RWMol, long) - Static method in class org.RDKit.RDKFuncsJNI
 
RWMol_removeAtom__SWIG_1(long, RWMol, long, Atom) - Static method in class org.RDKit.RDKFuncsJNI
 
RWMol_removeBond(long, RWMol, long, long) - Static method in class org.RDKit.RDKFuncsJNI
 
RWMol_replaceAtom__SWIG_0(long, RWMol, long, long, Atom, boolean, boolean) - Static method in class org.RDKit.RDKFuncsJNI
 
RWMol_replaceAtom__SWIG_1(long, RWMol, long, long, Atom, boolean) - Static method in class org.RDKit.RDKFuncsJNI
 
RWMol_replaceAtom__SWIG_2(long, RWMol, long, long, Atom) - Static method in class org.RDKit.RDKFuncsJNI
 
RWMol_replaceBond__SWIG_0(long, RWMol, long, long, Bond, boolean) - Static method in class org.RDKit.RDKFuncsJNI
 
RWMol_replaceBond__SWIG_1(long, RWMol, long, long, Bond) - Static method in class org.RDKit.RDKFuncsJNI
 
RWMol_sanitizeMol(long, RWMol) - Static method in class org.RDKit.RDKFuncsJNI
 
RWMol_setActiveAtom__SWIG_0(long, RWMol, long, Atom) - Static method in class org.RDKit.RDKFuncsJNI
 
RWMol_setActiveAtom__SWIG_1(long, RWMol, long) - Static method in class org.RDKit.RDKFuncsJNI
 
RWMol_setStereoGroups(long, RWMol, long, StereoGroup_Vect) - Static method in class org.RDKit.RDKFuncsJNI
 
RWMol_SWIGSmartPtrUpcast(long) - Static method in class org.RDKit.RDKFuncsJNI
 
RxnBlockToChemicalReaction(String) - Static method in class org.RDKit.RDKFuncs
 
RxnBlockToChemicalReaction(String) - Static method in class org.RDKit.RDKFuncsJNI
 
RxnDataStreamToChemicalReaction(SWIGTYPE_p_std__istream, SWIGTYPE_p_unsigned_int) - Static method in class org.RDKit.RDKFuncs
 
RxnDataStreamToChemicalReaction(long, long) - Static method in class org.RDKit.RDKFuncsJNI
 
RxnFileToChemicalReaction(String) - Static method in class org.RDKit.RDKFuncs
 
RxnFileToChemicalReaction(String) - Static method in class org.RDKit.RDKFuncsJNI
 
RxnFromBinary(Int_Vect) - Static method in class org.RDKit.ChemicalReaction
 
RxnMolToChemicalReaction(ROMol) - Static method in class org.RDKit.RDKFuncs
 
RxnMolToChemicalReaction(long, ROMol) - Static method in class org.RDKit.RDKFuncsJNI
 
RxnSmartsToChemicalReaction(String, String_String_Map, boolean) - Static method in class org.RDKit.RDKFuncs
 
RxnSmartsToChemicalReaction(String, String_String_Map) - Static method in class org.RDKit.RDKFuncs
 
RxnSmartsToChemicalReaction(String) - Static method in class org.RDKit.RDKFuncs
 
RxnSmartsToChemicalReaction__SWIG_0(String, long, String_String_Map, boolean) - Static method in class org.RDKit.RDKFuncsJNI
 
RxnSmartsToChemicalReaction__SWIG_1(String, long, String_String_Map) - Static method in class org.RDKit.RDKFuncsJNI
 
RxnSmartsToChemicalReaction__SWIG_2(String) - Static method in class org.RDKit.RDKFuncsJNI
 

S

SANITIZE_ADJUSTHS_get() - Static method in class org.RDKit.RDKFuncsJNI
 
SANITIZE_ALL_get() - Static method in class org.RDKit.RDKFuncsJNI
 
SANITIZE_CLEANUP_get() - Static method in class org.RDKit.RDKFuncsJNI
 
SANITIZE_CLEANUPCHIRALITY_get() - Static method in class org.RDKit.RDKFuncsJNI
 
SANITIZE_FINDRADICALS_get() - Static method in class org.RDKit.RDKFuncsJNI
 
SANITIZE_KEKULIZE_get() - Static method in class org.RDKit.RDKFuncsJNI
 
SANITIZE_NONE_get() - Static method in class org.RDKit.RDKFuncsJNI
 
SANITIZE_PROPERTIES_get() - Static method in class org.RDKit.RDKFuncsJNI
 
SANITIZE_SETAROMATICITY_get() - Static method in class org.RDKit.RDKFuncsJNI
 
SANITIZE_SETCONJUGATION_get() - Static method in class org.RDKit.RDKFuncsJNI
 
SANITIZE_SETHYBRIDIZATION_get() - Static method in class org.RDKit.RDKFuncsJNI
 
SANITIZE_SYMMRINGS_get() - Static method in class org.RDKit.RDKFuncsJNI
 
SanitizeFlags - Enum in org.RDKit
 
sanitizeMol(RWMol, SWIGTYPE_p_unsigned_int, long) - Static method in class org.RDKit.RDKFuncs
 
sanitizeMol(RWMol, SWIGTYPE_p_unsigned_int) - Static method in class org.RDKit.RDKFuncs
 
sanitizeMol(RWMol) - Static method in class org.RDKit.RDKFuncs
carries out a collection of tasks for cleaning up a molecule and ensuring that it makes 'chemical sense'
sanitizeMol(RWMol, int) - Static method in class org.RDKit.RDKFuncs
 
sanitizeMol(long, RWMol, int) - Static method in class org.RDKit.RDKFuncsJNI
 
sanitizeMol() - Method in class org.RDKit.RWMol
 
sanitizeMol__SWIG_0(long, RWMol, long, long) - Static method in class org.RDKit.RDKFuncsJNI
 
sanitizeMol__SWIG_1(long, RWMol, long) - Static method in class org.RDKit.RDKFuncsJNI
 
sanitizeMol__SWIG_2(long, RWMol) - Static method in class org.RDKit.RDKFuncsJNI
 
scale() - Method in class org.RDKit.MolDraw2D
 
scaleForceConstant(long) - Method in class org.RDKit.TorsionAngleContrib
 
SDMolSupplier - Class in org.RDKit
A molecule supplier deriving its molecules from an SD file
SDMolSupplier(long, boolean) - Constructor for class org.RDKit.SDMolSupplier
 
SDMolSupplier() - Constructor for class org.RDKit.SDMolSupplier
 
SDMolSupplier(String, boolean, boolean, boolean) - Constructor for class org.RDKit.SDMolSupplier
 
SDMolSupplier(String, boolean, boolean) - Constructor for class org.RDKit.SDMolSupplier
SDMolSupplier(String, boolean) - Constructor for class org.RDKit.SDMolSupplier
SDMolSupplier(String) - Constructor for class org.RDKit.SDMolSupplier
SDMolSupplier(SWIGTYPE_p_std__istream, boolean, boolean, boolean, boolean) - Constructor for class org.RDKit.SDMolSupplier
 
SDMolSupplier(SWIGTYPE_p_std__istream, boolean, boolean, boolean) - Constructor for class org.RDKit.SDMolSupplier
 
SDMolSupplier(SWIGTYPE_p_std__istream, boolean, boolean) - Constructor for class org.RDKit.SDMolSupplier
 
SDMolSupplier(SWIGTYPE_p_std__istream, boolean) - Constructor for class org.RDKit.SDMolSupplier
 
SDMolSupplier(SWIGTYPE_p_std__istream) - Constructor for class org.RDKit.SDMolSupplier
 
SDMolSupplier_atEnd(long, SDMolSupplier) - Static method in class org.RDKit.RDKFuncsJNI
 
SDMolSupplier_getItemText(long, SDMolSupplier, long) - Static method in class org.RDKit.RDKFuncsJNI
 
SDMolSupplier_init(long, SDMolSupplier) - Static method in class org.RDKit.RDKFuncsJNI
 
SDMolSupplier_length(long, SDMolSupplier) - Static method in class org.RDKit.RDKFuncsJNI
 
SDMolSupplier_moveTo(long, SDMolSupplier, long) - Static method in class org.RDKit.RDKFuncsJNI
 
SDMolSupplier_next(long, SDMolSupplier) - Static method in class org.RDKit.RDKFuncsJNI
 
SDMolSupplier_reset(long, SDMolSupplier) - Static method in class org.RDKit.RDKFuncsJNI
 
SDMolSupplier_setData__SWIG_0(long, SDMolSupplier, String, boolean, boolean) - Static method in class org.RDKit.RDKFuncsJNI
 
SDMolSupplier_setData__SWIG_1(long, SDMolSupplier, String, boolean) - Static method in class org.RDKit.RDKFuncsJNI
 
SDMolSupplier_setData__SWIG_2(long, SDMolSupplier, String) - Static method in class org.RDKit.RDKFuncsJNI
 
SDMolSupplier_setData__SWIG_3(long, SDMolSupplier, String, boolean, boolean, boolean) - Static method in class org.RDKit.RDKFuncsJNI
 
SDMolSupplier_setStreamIndices(long, SDMolSupplier, long) - Static method in class org.RDKit.RDKFuncsJNI
 
SDMolSupplier_SWIGUpcast(long) - Static method in class org.RDKit.RDKFuncsJNI
 
SDWriter - Class in org.RDKit
 
SDWriter(long, boolean) - Constructor for class org.RDKit.SDWriter
 
SDWriter(String) - Constructor for class org.RDKit.SDWriter
 
SDWriter(SWIGTYPE_p_std__ostream, boolean) - Constructor for class org.RDKit.SDWriter
 
SDWriter(SWIGTYPE_p_std__ostream) - Constructor for class org.RDKit.SDWriter
 
SDWriter_close(long, SDWriter) - Static method in class org.RDKit.RDKFuncsJNI
 
SDWriter_flush(long, SDWriter) - Static method in class org.RDKit.RDKFuncsJNI
 
SDWriter_getForceV3000(long, SDWriter) - Static method in class org.RDKit.RDKFuncsJNI
 
SDWriter_getKekulize(long, SDWriter) - Static method in class org.RDKit.RDKFuncsJNI
 
SDWriter_getText__SWIG_0(long, ROMol, int, boolean, boolean, int, long, Str_Vect) - Static method in class org.RDKit.RDKFuncsJNI
 
SDWriter_getText__SWIG_1(long, ROMol, int, boolean, boolean, int) - Static method in class org.RDKit.RDKFuncsJNI
 
SDWriter_getText__SWIG_2(long, ROMol, int, boolean, boolean) - Static method in class org.RDKit.RDKFuncsJNI
 
SDWriter_getText__SWIG_3(long, ROMol, int, boolean) - Static method in class org.RDKit.RDKFuncsJNI
 
SDWriter_getText__SWIG_4(long, ROMol, int) - Static method in class org.RDKit.RDKFuncsJNI
 
SDWriter_getText__SWIG_5(long, ROMol) - Static method in class org.RDKit.RDKFuncsJNI
 
SDWriter_numMols(long, SDWriter) - Static method in class org.RDKit.RDKFuncsJNI
 
SDWriter_setForceV3000(long, SDWriter, boolean) - Static method in class org.RDKit.RDKFuncsJNI
 
SDWriter_setKekulize(long, SDWriter, boolean) - Static method in class org.RDKit.RDKFuncsJNI
 
SDWriter_setProps(long, SDWriter, long, Str_Vect) - Static method in class org.RDKit.RDKFuncsJNI
 
SDWriter_SWIGUpcast(long) - Static method in class org.RDKit.RDKFuncsJNI
 
SDWriter_write__SWIG_0(long, SDWriter, long, ROMol, int) - Static method in class org.RDKit.RDKFuncsJNI
 
SDWriter_write__SWIG_1(long, SDWriter, long, ROMol) - Static method in class org.RDKit.RDKFuncsJNI
 
Serialize() - Method in class org.RDKit.CatalogParams
 
Serialize() - Method in class org.RDKit.FilterCatalog
 
Serialize() - Method in class org.RDKit.FilterCatalogEntry
 
Serialize() - Method in class org.RDKit.FilterCatalogParams
 
Serialize() - Method in class org.RDKit.SubstructLibrary
 
set(int, Atom) - Method in class org.RDKit.Atom_Vect
 
set(int, AtomicParams) - Method in class org.RDKit.Atomic_Params_Vect
 
set(long, UIntPairVect) - Method in class org.RDKit.BitInfoMap
 
set(int, Bond) - Method in class org.RDKit.Bond_Vect
 
set(int, byte) - Method in class org.RDKit.Byte_Vect
 
set(int, DrawColour) - Method in class org.RDKit.ColourPalette
 
set(int, double) - Method in class org.RDKit.Double_Vect
 
set(int, ExplicitBitVect) - Method in class org.RDKit.EBV_Vect
 
set(int, ForceFieldContrib) - Method in class org.RDKit.FF_Contrib_Vect
 
set(int, FilterCatalogEntry) - Method in class org.RDKit.FilterCatalogEntry_Vect
 
set(int, SWIGTYPE_p_std__vectorT_boost__shared_ptrT_RDKit__FilterCatalogEntry_const_t_t) - Method in class org.RDKit.FilterCatalogEntry_VectVect
 
set(int, FilterCatalogEntry) - Method in class org.RDKit.FilterCatalogEntryVect
 
set(int, FilterMatch) - Method in class org.RDKit.FilterMatch_Vect
 
set(int, Float_Pair) - Method in class org.RDKit.Float_Pair_Vect
 
set(int, double) - Method in class org.RDKit.Int_Double_Map
 
set(int, int) - Method in class org.RDKit.Int_Int_Map
 
set(int, Int_Vect_List) - Method in class org.RDKit.Int_Int_Vect_List_Map
 
set(int, Int_Vect) - Method in class org.RDKit.Int_Int_Vect_Map
 
set(int, Point2D) - Method in class org.RDKit.Int_Point2D_Map
 
set(int, Point3D) - Method in class org.RDKit.Int_Point3D_Map
 
set(int, String) - Method in class org.RDKit.Int_String_Map
 
set(int, int) - Method in class org.RDKit.Int_Vect
 
set(int, Int_Vect) - Method in class org.RDKit.Int_Vect_Vect
 
set(int, Long_Pair) - Method in class org.RDKit.Long_Pair_Vect
 
set(int, Int_Pair) - Method in class org.RDKit.Match_Vect
 
set(int, Match_Vect) - Method in class org.RDKit.Match_Vect_Vect
 
set(int, MolSanitizeException) - Method in class org.RDKit.MolSanitizeException_Vect
 
set(int, Point2D) - Method in class org.RDKit.Point2D_Vect
 
set(int, Point3D) - Method in class org.RDKit.Point3D_Vect
 
set(int, Point) - Method in class org.RDKit.Point_Vect
 
set(int, ROMol) - Method in class org.RDKit.ROMol_Vect
 
set(int, ROMol_Vect) - Method in class org.RDKit.ROMol_Vect_Vect
 
set(int, StereoGroup) - Method in class org.RDKit.StereoGroup_Vect
 
set(int, String) - Method in class org.RDKit.Str_Vect
 
set(String, String) - Method in class org.RDKit.String_String_Map
 
set(String, ROMol) - Method in class org.RDKit.StringMolMap
 
set(int, StringMolMap) - Method in class org.RDKit.StringMolMap_Vect
 
set(String, ROMol_Vect) - Method in class org.RDKit.StringROMol_VectMap
 
set(int, short) - Method in class org.RDKit.UChar_Vect
 
set(int, UInt_Pair) - Method in class org.RDKit.UInt_Pair_Vect
 
set(int, long) - Method in class org.RDKit.UInt_Vect
 
set(long, ROMol) - Method in class org.RDKit.UIntMolMap
 
set(int, UIntPair) - Method in class org.RDKit.UIntPairVect
 
set2DCoords(ROMol, boolean) - Static method in class org.RDKit.RDKFuncs
 
set2DCoords(ROMol) - Static method in class org.RDKit.RDKFuncs
 
set2DCoords(String, boolean) - Static method in class org.RDKit.RDKFuncs
 
set2DCoords__SWIG_0(long, ROMol, boolean) - Static method in class org.RDKit.RDKFuncsJNI
 
set2DCoords__SWIG_1(long, ROMol) - Static method in class org.RDKit.RDKFuncsJNI
 
set2DCoords__SWIG_2(String, boolean) - Static method in class org.RDKit.RDKFuncsJNI
 
set3D(boolean) - Method in class org.RDKit.Conformer
 
setA(double) - Method in class org.RDKit.DrawColour
 
setAcidbaseFile(String) - Method in class org.RDKit.CleanupParameters
 
setActiveAtom(Atom) - Method in class org.RDKit.RWMol
 
setActiveAtom(long) - Method in class org.RDKit.RWMol
This is an overloaded member function, provided for convenience.
setAdditionalAtomLabelPadding(double) - Method in class org.RDKit.MolDrawOptions
 
setAdjustDegree(boolean) - Method in class org.RDKit.AdjustQueryParameters
 
setAdjustDegreeFlags(long) - Method in class org.RDKit.AdjustQueryParameters
 
setAdjustHeavyDegree(boolean) - Method in class org.RDKit.AdjustQueryParameters
 
setAdjustHeavyDegreeFlags(long) - Method in class org.RDKit.AdjustQueryParameters
 
setAdjustRingChain(boolean) - Method in class org.RDKit.AdjustQueryParameters
 
setAdjustRingChainFlags(long) - Method in class org.RDKit.AdjustQueryParameters
 
setAdjustRingCount(boolean) - Method in class org.RDKit.AdjustQueryParameters
 
setAdjustRingCountFlags(long) - Method in class org.RDKit.AdjustQueryParameters
 
setAgentWeight(int) - Method in class org.RDKit.ReactionFingerprintParams
 
setAlignment(long) - Method in class org.RDKit.RGroupDecompositionParameters
 
setAllowCXSMILES(boolean) - Method in class org.RDKit.SmilesParserParams
 
setAltLoc(String) - Method in class org.RDKit.AtomPDBResidueInfo
 
setAngleDeg(Conformer, long, long, long, double) - Static method in class org.RDKit.RDKFuncs
 
setAngleDeg(long, Conformer, long, long, long, double) - Static method in class org.RDKit.RDKFuncsJNI
 
setAngleRad(Conformer, long, long, long, double) - Static method in class org.RDKit.RDKFuncs
 
setAngleRad(long, Conformer, long, long, long, double) - Static method in class org.RDKit.RDKFuncsJNI
 
setAromaticity(RWMol, AromaticityModel, SWIGTYPE_p_f_r_RDKit__RWMol__int) - Static method in class org.RDKit.RDKFuncs
 
setAromaticity(RWMol, AromaticityModel) - Static method in class org.RDKit.RDKFuncs
 
setAromaticity(RWMol) - Static method in class org.RDKit.RDKFuncs
Sets up the aromaticity for a molecule.
setAromaticity__SWIG_0(long, RWMol, int, long) - Static method in class org.RDKit.RDKFuncsJNI
 
setAromaticity__SWIG_1(long, RWMol, int) - Static method in class org.RDKit.RDKFuncsJNI
 
setAromaticity__SWIG_2(long, RWMol) - Static method in class org.RDKit.RDKFuncsJNI
 
setAromaticMatchesConjugated(boolean) - Method in class org.RDKit.SubstructMatchParameters
 
setAromatizeIfPossible(boolean) - Method in class org.RDKit.AdjustQueryParameters
 
setAtom(Atom) - Method in class org.RDKit.MolStackUnion
 
setAtom1Label(long) - Method in class org.RDKit.FragmenterBondType
 
setAtom1Type(long) - Method in class org.RDKit.FragmenterBondType
 
setAtom2Label(long) - Method in class org.RDKit.FragmenterBondType
 
setAtom2Type(long) - Method in class org.RDKit.FragmenterBondType
 
setAtomAlias(Atom, String) - Static method in class org.RDKit.RDKFuncs
 
setAtomAlias(long, Atom, String) - Static method in class org.RDKit.RDKFuncsJNI
 
setAtomBookmark(Atom, int) - Method in class org.RDKit.ROMol
This is an overloaded member function, provided for convenience.
setAtomColourPalette(ColourPalette) - Method in class org.RDKit.MolDrawOptions
 
setAtomicNum(int) - Method in class org.RDKit.Atom
 
setAtomLabelDeuteriumTritium(boolean) - Method in class org.RDKit.MolDrawOptions
 
setAtomLabels(Int_String_Map) - Method in class org.RDKit.MolDrawOptions
 
setAtomMapNum(int, boolean) - Method in class org.RDKit.Atom
 
setAtomMapNum(int) - Method in class org.RDKit.Atom
 
setAtomPairs(Match_Vect) - Method in class org.RDKit.FilterMatch
 
setAtomPos(long, Point3D) - Method in class org.RDKit.Conformer
 
setAtomRegions(Int_Vect_Vect) - Method in class org.RDKit.MolDrawOptions
 
setAtomRLabel(Atom, int) - Static method in class org.RDKit.RDKFuncs
 
setAtomRLabel(long, Atom, int) - Static method in class org.RDKit.RDKFuncsJNI
 
setAtomValue(Atom, String) - Static method in class org.RDKit.RDKFuncs
 
setAtomValue(long, Atom, String) - Static method in class org.RDKit.RDKFuncsJNI
 
setAuxInfoPtr(String) - Method in class org.RDKit.ExtraInchiReturnValues
 
setB(double) - Method in class org.RDKit.DrawColour
 
setBackgroundColour(DrawColour) - Method in class org.RDKit.MolDrawOptions
 
setBasinThresh(double) - Method in class org.RDKit.EmbedParameters
 
setBeginAtomIdx(long) - Method in class org.RDKit.Bond
sets the index of our begin Atom
setBit(long) - Method in class org.RDKit.BitVect
 
setBit(long) - Method in class org.RDKit.ExplicitBitVect
 
setBitRatioAgents(double) - Method in class org.RDKit.ReactionFingerprintParams
 
setBond(Bond) - Method in class org.RDKit.MolStackUnion
 
setBondBookmark(Bond, int) - Method in class org.RDKit.ROMol
This is an overloaded member function, provided for convenience.
setBondDir(Bond.BondDir) - Method in class org.RDKit.Bond
 
setBondDir(Bond.BondDir) - Method in class org.RDKit.QueryBond
 
setBondLength(Conformer, long, long, double) - Static method in class org.RDKit.RDKFuncs
 
setBondLength(long, Conformer, long, long, double) - Static method in class org.RDKit.RDKFuncsJNI
 
setBondLineWidth(int) - Method in class org.RDKit.MolDrawOptions
 
setBondStereoFromDirections(ROMol) - Static method in class org.RDKit.RDKFuncs
 
setBondStereoFromDirections(long, ROMol) - Static method in class org.RDKit.RDKFuncsJNI
 
setBondType(Bond.BondType) - Method in class org.RDKit.Bond
 
setBondType(Bond.BondType) - Method in class org.RDKit.FragmenterBondType
 
setBondType(Bond.BondType) - Method in class org.RDKit.QueryBond
 
setBoostVersion(String) - Static method in class org.RDKit.RDKFuncs
 
setBoundsMat(SWIGTYPE_p_boost__shared_ptrT_DistGeom__BoundsMatrix_const_t) - Method in class org.RDKit.EmbedParameters
 
setBoxSizeMult(double) - Method in class org.RDKit.EmbedParameters
 
setCanceled(boolean) - Method in class org.RDKit.MCSResult
 
setChainId(String) - Method in class org.RDKit.AtomPDBResidueInfo
 
setChiralTag(Atom.ChiralType) - Method in class org.RDKit.Atom
 
setChunkSize(long) - Method in class org.RDKit.RGroupDecompositionParameters
 
setCircleAtoms(boolean) - Method in class org.RDKit.MolDrawOptions
 
setClearBackground(boolean) - Method in class org.RDKit.MolDrawOptions
 
setClearConfs(boolean) - Method in class org.RDKit.EmbedParameters
 
setColour(DrawColour) - Method in class org.RDKit.MolDraw2D
 
setColour(DrawColour) - Method in class org.RDKit.MolDraw2DSVG
 
setColourMap(SWIGTYPE_p_std__vectorT_RDKit__DrawColour_t) - Method in class org.RDKit.ContourParams
 
setCompleteRingsOnly(boolean) - Method in class org.RDKit.MCSBondCompareParameters
 
setConjugation(ROMol) - Static method in class org.RDKit.RDKFuncs
 
setConjugation(long, ROMol) - Static method in class org.RDKit.RDKFuncsJNI
 
setConjugation() - Method in class org.RDKit.ROMol
 
setContinuousHighlight(boolean) - Method in class org.RDKit.MolDrawOptions
 
setContourColour(DrawColour) - Method in class org.RDKit.ContourParams
 
setContourWidth(double) - Method in class org.RDKit.ContourParams
 
setCoordMap(Int_Point3D_Map) - Method in class org.RDKit.EmbedParameters
 
setD1(double) - Method in class org.RDKit.AtomicParams
 
setD_idx0(long) - Method in class org.RDKit.ChiralSet
 
setD_idx1(long) - Method in class org.RDKit.ChiralSet
 
setD_idx2(long) - Method in class org.RDKit.ChiralSet
 
setD_idx3(long) - Method in class org.RDKit.ChiralSet
 
setD_idx4(long) - Method in class org.RDKit.ChiralSet
 
setD_ij(double) - Method in class org.RDKit.UFFVdW
 
setD_isotopeInfoMap(SWIGTYPE_p_std__mapT_unsigned_int_std__pairT_double_double_t_t) - Method in class org.RDKit.atomicData
 
setD_volumeLowerBound(double) - Method in class org.RDKit.ChiralSet
 
setD_volumeUpperBound(double) - Method in class org.RDKit.ChiralSet
 
setDash(UInt_Vect) - Method in class org.RDKit.MolDraw2D
 
setDashNegative(boolean) - Method in class org.RDKit.ContourParams
 
setData(String, boolean, boolean) - Method in class org.RDKit.SDMolSupplier
 
setData(String, boolean) - Method in class org.RDKit.SDMolSupplier
 
setData(String) - Method in class org.RDKit.SDMolSupplier
 
setData(String, boolean, boolean, boolean) - Method in class org.RDKit.SDMolSupplier
 
setData(String, String, int, int, boolean, boolean) - Method in class org.RDKit.SmilesMolSupplier
 
setData(String, String, int, int, boolean) - Method in class org.RDKit.SmilesMolSupplier
 
setData(String, String, int, int) - Method in class org.RDKit.SmilesMolSupplier
 
setData(String, String, int) - Method in class org.RDKit.SmilesMolSupplier
 
setData(String, String) - Method in class org.RDKit.SmilesMolSupplier
 
setData(String) - Method in class org.RDKit.SmilesMolSupplier
 
setData(String, String, int, int, boolean) - Method in class org.RDKit.TDTMolSupplier
 
setData(String, String, int, int) - Method in class org.RDKit.TDTMolSupplier
 
setData(String, String, int) - Method in class org.RDKit.TDTMolSupplier
 
setData(String, String) - Method in class org.RDKit.TDTMolSupplier
 
setData(String) - Method in class org.RDKit.TDTMolSupplier
 
setDebugParse(int) - Method in class org.RDKit.SmilesParserParams
 
setDEFAULT_FILTERMATCHERBASE_NAME(String) - Static method in class org.RDKit.RDKFuncs
 
setDefaultConfId(int) - Static method in class org.RDKit.RDKFuncs
 
setDefaultFeatureSmarts(Str_Vect) - Static method in class org.RDKit.RDKFuncs
 
setDescription(String) - Method in class org.RDKit.FilterCatalogEntry
 
setDihedralDeg(Conformer, long, long, long, long, double) - Static method in class org.RDKit.RDKFuncs
 
setDihedralDeg(long, Conformer, long, long, long, long, double) - Static method in class org.RDKit.RDKFuncsJNI
 
setDihedralRad(Conformer, long, long, long, long, double) - Static method in class org.RDKit.RDKFuncs
 
setDihedralRad(long, Conformer, long, long, long, long, double) - Static method in class org.RDKit.RDKFuncsJNI
 
setDoCanonical(boolean) - Method in class org.RDKit.CleanupParameters
 
setDoubleBondNeighborDirections(ROMol, Conformer) - Static method in class org.RDKit.RDKFuncs
 
setDoubleBondNeighborDirections(ROMol) - Static method in class org.RDKit.RDKFuncs
 
setDoubleBondNeighborDirections__SWIG_0(long, ROMol, long, Conformer) - Static method in class org.RDKit.RDKFuncsJNI
 
setDoubleBondNeighborDirections__SWIG_1(long, ROMol) - Static method in class org.RDKit.RDKFuncsJNI
 
setDummiesAreAttachments(boolean) - Method in class org.RDKit.MolDrawOptions
 
setElement(int, double) - Method in class org.RDKit.Shared_Double_Array
 
setElement(int, int) - Method in class org.RDKit.Shared_Int_Array
 
setEmbedFragmentsSeparately(boolean) - Method in class org.RDKit.EmbedParameters
 
setEndAtomIdx(long) - Method in class org.RDKit.Bond
sets the index of our end Atom
setEnergy(double) - Method in class org.RDKit.Snapshot
 
setEnforceChirality(boolean) - Method in class org.RDKit.EmbedParameters
 
setETversion(long) - Method in class org.RDKit.EmbedParameters
 
setExtraGridPadding(double) - Method in class org.RDKit.ContourParams
 
setFillGrid(boolean) - Method in class org.RDKit.ContourParams
 
setFillHighlights(boolean) - Method in class org.RDKit.MolDrawOptions
 
setFillPolys(boolean) - Method in class org.RDKit.MolDraw2D
 
setFilterMatch(SWIGTYPE_p_boost__shared_ptrT_RDKit__FilterMatcherBase_t) - Method in class org.RDKit.FilterMatch
 
setFirst(double) - Method in class org.RDKit.Double_Pair
 
setFirst(Atomic_Params_Vect) - Method in class org.RDKit.Flagged_Atomic_Params_Vect
 
setFirst(float) - Method in class org.RDKit.Float_Pair
 
setFirst(int) - Method in class org.RDKit.Int_Pair
 
setFirst(long) - Method in class org.RDKit.Long_Pair
 
setFirst(String) - Method in class org.RDKit.StringInt_Pair
 
setFirst(long) - Method in class org.RDKit.UInt_Pair
 
setFirst(long) - Method in class org.RDKit.UIntPair
 
setFlagCloseContactsDist(int) - Method in class org.RDKit.MolDrawOptions
 
setFontSize(double) - Method in class org.RDKit.MolDraw2D
 
setFontSize(double) - Method in class org.RDKit.MolDraw2DSVG
 
setForceV3000(boolean) - Method in class org.RDKit.SDWriter
 
setFormalCharge(int) - Method in class org.RDKit.Atom
 
setFpSize(long) - Method in class org.RDKit.ReactionFingerprintParams
 
setFpType(FingerprintType) - Method in class org.RDKit.ReactionFingerprintParams
 
setFragmentFile(String) - Method in class org.RDKit.CleanupParameters
 
setG(double) - Method in class org.RDKit.DrawColour
 
setGMP_Hardness(double) - Method in class org.RDKit.AtomicParams
 
setGMP_Radius(double) - Method in class org.RDKit.AtomicParams
 
setGMP_Xi(double) - Method in class org.RDKit.AtomicParams
 
setGridResolution(double) - Method in class org.RDKit.ContourParams
 
setHighlightColour(DrawColour) - Method in class org.RDKit.MolDrawOptions
 
setHighlightColourPalette(SWIGTYPE_p_std__vectorT_RDKit__DrawColour_t) - Method in class org.RDKit.MolDrawOptions
 
setHybridization(Atom.HybridizationType) - Method in class org.RDKit.Atom
 
setHybridization(ROMol) - Static method in class org.RDKit.RDKFuncs
 
setHybridization(long, ROMol) - Static method in class org.RDKit.RDKFuncsJNI
 
setHybridization() - Method in class org.RDKit.ROMol
 
setId(long) - Method in class org.RDKit.Conformer
 
setIdx(long) - Method in class org.RDKit.Atom
sets our index within the ROMol
setIdx(long) - Method in class org.RDKit.Bond
sets our index within the ROMol
setIgnoreSmoothingFailures(boolean) - Method in class org.RDKit.EmbedParameters
 
setImplicitPropertiesFlag(boolean) - Method in class org.RDKit.ChemicalReaction
sets the implicit properties flag.
setIncludeAgents(boolean) - Method in class org.RDKit.ReactionFingerprintParams
 
setIncludeAtomTags(boolean) - Method in class org.RDKit.MolDrawOptions
 
setInsertionCode(String) - Method in class org.RDKit.AtomPDBResidueInfo
 
setIsAromatic(boolean) - Method in class org.RDKit.Atom
 
setIsAromatic(boolean) - Method in class org.RDKit.Bond
 
setIsConjugated(boolean) - Method in class org.RDKit.Bond
 
setIsHeteroAtom(boolean) - Method in class org.RDKit.AtomPDBResidueInfo
 
setIsotope(long) - Method in class org.RDKit.Atom
 
setitem(int, double) - Method in class org.RDKit.Double_Array
 
setK(double) - Method in class org.RDKit.UFFInv
 
setKa(double) - Method in class org.RDKit.UFFAngle
 
setKb(double) - Method in class org.RDKit.UFFBond
 
setKekulize(boolean) - Method in class org.RDKit.SDWriter
 
setLabels(long) - Method in class org.RDKit.RGroupDecompositionParameters
 
setLegendColour(DrawColour) - Method in class org.RDKit.MolDrawOptions
 
setLegendFontSize(int) - Method in class org.RDKit.MolDrawOptions
 
setLineWidth(int) - Method in class org.RDKit.MolDraw2D
 
setLogPtr(String) - Method in class org.RDKit.ExtraInchiReturnValues
 
setLowerBound(long, long, double) - Method in class org.RDKit.BoundsMatrix
 
setLowerBoundIfBetter(long, long, double) - Method in class org.RDKit.BoundsMatrix
 
setMakeAtomsGeneric(boolean) - Method in class org.RDKit.AdjustQueryParameters
 
setMakeAtomsGenericFlags(long) - Method in class org.RDKit.AdjustQueryParameters
 
setMakeBondsGeneric(boolean) - Method in class org.RDKit.AdjustQueryParameters
 
setMakeBondsGenericFlags(long) - Method in class org.RDKit.AdjustQueryParameters
 
setMakeDummiesQueries(boolean) - Method in class org.RDKit.AdjustQueryParameters
 
setMatchChiralTag(boolean) - Method in class org.RDKit.MCSAtomCompareParameters
 
setMatchFormalCharge(boolean) - Method in class org.RDKit.MCSAtomCompareParameters
 
setMatchFusedRings(boolean) - Method in class org.RDKit.MCSBondCompareParameters
 
setMatchFusedRingsStrict(boolean) - Method in class org.RDKit.MCSBondCompareParameters
 
setMatchingStrategy(long) - Method in class org.RDKit.RGroupDecompositionParameters
 
setMatchStereo(boolean) - Method in class org.RDKit.MCSBondCompareParameters
 
setMatchValences(boolean) - Method in class org.RDKit.MCSAtomCompareParameters
 
setMaxIterations(long) - Method in class org.RDKit.EmbedParameters
 
setMaxMatches(long) - Method in class org.RDKit.SubstructMatchParameters
 
setMaxRestarts(int) - Method in class org.RDKit.CleanupParameters
 
setMaxTautomers(int) - Method in class org.RDKit.CleanupParameters
 
setMessagePtr(String) - Method in class org.RDKit.ExtraInchiReturnValues
 
setMonomerInfo(AtomMonomerInfo) - Method in class org.RDKit.Atom
 
setMonomerType(AtomMonomerInfo.AtomMonomerType) - Method in class org.RDKit.AtomMonomerInfo
 
setMultipleBondOffset(double) - Method in class org.RDKit.MolDrawOptions
 
setName(String) - Method in class org.RDKit.AtomMonomerInfo
 
setNoImplicit(boolean) - Method in class org.RDKit.Atom
 
setNonAgentWeight(long) - Method in class org.RDKit.ReactionFingerprintParams
 
setNormalizations(String) - Method in class org.RDKit.CleanupParameters
 
setNumAtoms(long) - Method in class org.RDKit.MCSProgressData
 
setNumAtoms(long) - Method in class org.RDKit.MCSResult
 
setNumber(int) - Method in class org.RDKit.MolStackElem
 
setNumBonds(long) - Method in class org.RDKit.MCSProgressData
 
setNumBonds(long) - Method in class org.RDKit.MCSResult
 
setNumDigits(long) - Method in class org.RDKit.TDTWriter
 
setNumExplicitHs(long) - Method in class org.RDKit.Atom
 
setNumRadicalElectrons(long) - Method in class org.RDKit.Atom
 
setNumThreads(int) - Method in class org.RDKit.EmbedParameters
 
setNumThreads(int) - Method in class org.RDKit.ResonanceMolSupplier
 
setNumThreads() - Method in class org.RDKit.ResonanceMolSupplier
 
setNumThreads(int) - Method in class org.RDKit.SubstructMatchParameters
 
setNumZeroFail(long) - Method in class org.RDKit.EmbedParameters
 
setObj(MolStackUnion) - Method in class org.RDKit.MolStackElem
 
setOccupancy(double) - Method in class org.RDKit.AtomPDBResidueInfo
 
setOffset(int, int) - Method in class org.RDKit.MolDraw2D
 
setOnlyHeavyAtomsForRMS(boolean) - Method in class org.RDKit.EmbedParameters
 
setOnlyMatchAtRGroups(boolean) - Method in class org.RDKit.RGroupDecompositionParameters
 
setOptimizerForceTol(double) - Method in class org.RDKit.EmbedParameters
 
setOwningMol(ROMol) - Method in class org.RDKit.Bond
 
setPadding(double) - Method in class org.RDKit.MolDrawOptions
 
setParseName(boolean) - Method in class org.RDKit.SmilesParserParams
 
setPreferCoordGen(boolean) - Static method in class org.RDKit.RDKFuncs
 
setPreferCoordGen(boolean) - Static method in class org.RDKit.RDKFuncsJNI
 
setPreferOrganic(boolean) - Method in class org.RDKit.CleanupParameters
 
setPrepareMolsBeforeDrawing(boolean) - Method in class org.RDKit.MolDrawOptions
 
setProcessPropertyLists(boolean) - Method in class org.RDKit.ForwardSDMolSupplier
 
setProp(String, String, boolean) - Method in class org.RDKit.RDProps
 
setProp(String, String) - Method in class org.RDKit.RDProps
 
setProps(Dict) - Method in class org.RDKit.FilterCatalogEntry
 
setProps(Str_Vect) - Method in class org.RDKit.MolWriter
 
setProps(Str_Vect) - Method in class org.RDKit.PDBWriter
 
setProps(Str_Vect) - Method in class org.RDKit.SDWriter
 
setProps(Str_Vect) - Method in class org.RDKit.SmilesWriter
 
setProps(Str_Vect) - Method in class org.RDKit.TDTWriter
 
setPruneRmsThresh(double) - Method in class org.RDKit.EmbedParameters
 
setQuery(SWIGTYPE_p_Queries__QueryT_int_RDKit__Atom_const_p_true_t) - Method in class org.RDKit.Atom
 
setQuery(SWIGTYPE_p_Queries__QueryT_int_RDKit__Bond_const_p_true_t) - Method in class org.RDKit.Bond
 
setQuery(ROMol) - Method in class org.RDKit.FragmenterBondType
 
setQuery(SWIGTYPE_p_Queries__QueryT_int_RDKit__Atom_const_p_true_t) - Method in class org.RDKit.QueryAtom
 
setQuery(SWIGTYPE_p_Queries__QueryT_int_RDKit__Bond_const_p_true_t) - Method in class org.RDKit.QueryBond
 
setQueryMol(ROMol) - Method in class org.RDKit.RecursiveStructureQuery
 
setR(double) - Method in class org.RDKit.DrawColour
 
setR0(double) - Method in class org.RDKit.UFFBond
 
setR1(double) - Method in class org.RDKit.AtomicParams
 
setRandNegEig(boolean) - Method in class org.RDKit.EmbedParameters
 
setRandomSeed(int) - Method in class org.RDKit.EmbedParameters
 
setRdbase(String) - Method in class org.RDKit.CleanupParameters
 
setRdkitBuild(String) - Static method in class org.RDKit.RDKFuncs
 
setRdkitVersion(String) - Static method in class org.RDKit.RDKFuncs
 
setRecursionPossible(boolean) - Method in class org.RDKit.SubstructMatchParameters
 
setRemoveAllHydrogenRGroups(boolean) - Method in class org.RDKit.RGroupDecompositionParameters
 
setRemoveHs(boolean) - Method in class org.RDKit.SmilesParserParams
 
setRemoveHydrogensPostMatch(boolean) - Method in class org.RDKit.RGroupDecompositionParameters
 
setReplacements(String_String_Map) - Method in class org.RDKit.SmilesParserParams
 
setResidueName(String) - Method in class org.RDKit.AtomPDBResidueInfo
 
setResidueNumber(int) - Method in class org.RDKit.AtomPDBResidueInfo
 
setReturnCode(int) - Method in class org.RDKit.ExtraInchiReturnValues
 
setRgroupLabelling(long) - Method in class org.RDKit.RGroupDecompositionParameters
 
setRingMatchesRingOnly(boolean) - Method in class org.RDKit.MCSAtomCompareParameters
 
setRingMatchesRingOnly(boolean) - Method in class org.RDKit.MCSBondCompareParameters
 
SetRotation(double, AxisType) - Method in class org.RDKit.Transform3D
set the rotation matrix
SetRotation(double, Point3D) - Method in class org.RDKit.Transform3D
set the rotation matrix
SetRotation(double, double, Point3D) - Method in class org.RDKit.Transform3D
 
SetRotationFromQuaternion(SWIGTYPE_p_double) - Method in class org.RDKit.Transform3D
 
setSanitize(boolean) - Method in class org.RDKit.SmilesParserParams
 
setScale(int, int, Point2D, Point2D) - Method in class org.RDKit.MolDraw2D
 
setSecond(double) - Method in class org.RDKit.Double_Pair
 
setSecond(boolean) - Method in class org.RDKit.Flagged_Atomic_Params_Vect
 
setSecond(float) - Method in class org.RDKit.Float_Pair
 
setSecond(int) - Method in class org.RDKit.Int_Pair
 
setSecond(int) - Method in class org.RDKit.Long_Pair
 
setSecond(int) - Method in class org.RDKit.StringInt_Pair
 
setSecond(int) - Method in class org.RDKit.UInt_Pair
 
setSecond(long) - Method in class org.RDKit.UIntPair
 
setSecondaryStructure(long) - Method in class org.RDKit.AtomPDBResidueInfo
 
setSeedProcessed(long) - Method in class org.RDKit.MCSProgressData
 
setSegmentNumber(long) - Method in class org.RDKit.AtomPDBResidueInfo
 
setSerialNumber(int) - Method in class org.RDKit.AtomPDBResidueInfo
 
setSetScale(boolean) - Method in class org.RDKit.ContourParams
 
setSmartsString(String) - Method in class org.RDKit.MCSResult
 
setStereo(Bond.BondStereo) - Method in class org.RDKit.Bond
 
setStereoAtoms(long, long) - Method in class org.RDKit.Bond
 
setStereoGroups(StereoGroup_Vect) - Method in class org.RDKit.RWMol
 
setStreamIndices(SWIGTYPE_p_std__vectorT_std__streampos_t) - Method in class org.RDKit.SDMolSupplier
Resets our internal state and sets the indices of molecules in the stream.
setStringDrawMode(String, SWIGTYPE_p_RDKit__MolDraw2D__TextDrawType, SWIGTYPE_p_int) - Method in class org.RDKit.MolDraw2D
 
setSupplementalSmilesLabel(Atom, String) - Static method in class org.RDKit.RDKFuncs
 
setSupplementalSmilesLabel(long, Atom, String) - Static method in class org.RDKit.RDKFuncsJNI
 
setSwigCMemOwn(boolean) - Method in class org.RDKit.Conformer
 
setSymbolColour(DrawColour) - Method in class org.RDKit.MolDrawOptions
 
setTautomerTransforms(String) - Method in class org.RDKit.CleanupParameters
 
setTempFactor(double) - Method in class org.RDKit.AtomPDBResidueInfo
 
setTheta0(double) - Method in class org.RDKit.AtomicParams
 
setTheta0(double) - Method in class org.RDKit.UFFAngle
 
setToIdentity() - Method in class org.RDKit.DoubleSymmMatrix
 
setToIdentity() - Method in class org.RDKit.IntSymmMatrix
 
setToIdentity() - Method in class org.RDKit.Transform2D
 
setToIdentity() - Method in class org.RDKit.Transform3D
 
SetTopolBounds(ROMol, BoundsMatrix, boolean, boolean) - Static method in class org.RDKit.DistanceGeom
 
SetTopolBounds(ROMol, BoundsMatrix, boolean) - Static method in class org.RDKit.DistanceGeom
 
SetTopolBounds(ROMol, BoundsMatrix) - Static method in class org.RDKit.DistanceGeom
 
setTopolBounds(ROMol, SWIGTYPE_p_boost__shared_ptrT_DistGeom__BoundsMatrix_t, boolean, boolean) - Static method in class org.RDKit.RDKFuncs
 
setTopolBounds(ROMol, SWIGTYPE_p_boost__shared_ptrT_DistGeom__BoundsMatrix_t, boolean) - Static method in class org.RDKit.RDKFuncs
 
setTopolBounds(ROMol, SWIGTYPE_p_boost__shared_ptrT_DistGeom__BoundsMatrix_t) - Static method in class org.RDKit.RDKFuncs
 
setTopolBounds(ROMol, SWIGTYPE_p_boost__shared_ptrT_DistGeom__BoundsMatrix_t, Match_Vect, Int_Vect_Vect, boolean, boolean) - Static method in class org.RDKit.RDKFuncs
 
setTopolBounds(ROMol, SWIGTYPE_p_boost__shared_ptrT_DistGeom__BoundsMatrix_t, Match_Vect, Int_Vect_Vect, boolean) - Static method in class org.RDKit.RDKFuncs
 
setTopolBounds(ROMol, SWIGTYPE_p_boost__shared_ptrT_DistGeom__BoundsMatrix_t, Match_Vect, Int_Vect_Vect) - Static method in class org.RDKit.RDKFuncs
 
setTopolBounds__SWIG_0(long, ROMol, long, boolean, boolean) - Static method in class org.RDKit.RDKFuncsJNI
 
setTopolBounds__SWIG_1(long, ROMol, long, boolean) - Static method in class org.RDKit.RDKFuncsJNI
 
setTopolBounds__SWIG_2(long, ROMol, long) - Static method in class org.RDKit.RDKFuncsJNI
 
setTopolBounds__SWIG_3(long, ROMol, long, long, Match_Vect, long, Int_Vect_Vect, boolean, boolean) - Static method in class org.RDKit.RDKFuncsJNI
 
setTopolBounds__SWIG_4(long, ROMol, long, long, Match_Vect, long, Int_Vect_Vect, boolean) - Static method in class org.RDKit.RDKFuncsJNI
 
setTopolBounds__SWIG_5(long, ROMol, long, long, Match_Vect, long, Int_Vect_Vect) - Static method in class org.RDKit.RDKFuncsJNI
 
SetTransform(Point2D, Point2D, Point2D, Point2D) - Method in class org.RDKit.Transform2D
Set the tranform so that the specified points are aligned.
SetTransform(Point2D, double) - Method in class org.RDKit.Transform2D
Set the trans form to counterclock wise rotation by the specified value around point.
SetTranslation(Point2D) - Method in class org.RDKit.Transform2D
 
SetTranslation(Point3D) - Method in class org.RDKit.Transform3D
 
setType(MolStackTypes) - Method in class org.RDKit.MolStackElem
 
setTypeStr(String) - Method in class org.RDKit.CatalogParams
 
setU1(double) - Method in class org.RDKit.AtomicParams
 
setUniquify(boolean) - Method in class org.RDKit.SubstructMatchParameters
 
setUpperBound(long, long, double) - Method in class org.RDKit.BoundsMatrix
 
setUpperBoundIfBetter(long, long, double) - Method in class org.RDKit.BoundsMatrix
 
setUseBasicKnowledge(boolean) - Method in class org.RDKit.EmbedParameters
 
setUseChirality(boolean) - Method in class org.RDKit.SubstructMatchParameters
 
setUseExpTorsionAnglePrefs(boolean) - Method in class org.RDKit.EmbedParameters
 
setUseQueryQueryMatches(boolean) - Method in class org.RDKit.SubstructMatchParameters
 
setUseRandomCoords(boolean) - Method in class org.RDKit.EmbedParameters
 
setV(double) - Method in class org.RDKit.UFFTor
 
setV1(double) - Method in class org.RDKit.AtomicParams
 
setVal(String, boolean) - Method in class org.RDKit.Dict
 
setVal(String, double) - Method in class org.RDKit.Dict
 
setVal(String, float) - Method in class org.RDKit.Dict
 
setVal(String, int) - Method in class org.RDKit.Dict
 
setVal(String, long) - Method in class org.RDKit.Dict
 
setVal(String, String) - Method in class org.RDKit.Dict
 
setVal(long, long, double) - Method in class org.RDKit.DoubleMatrix
 
setVal(long, long, double) - Method in class org.RDKit.DoubleSymmMatrix
 
setVal(long, long, int) - Method in class org.RDKit.IntMatrix
 
setVal(long, long, int) - Method in class org.RDKit.IntSymmMatrix
 
setVal(int, int) - Method in class org.RDKit.SparseIntVect32
 
setVal(long, int) - Method in class org.RDKit.SparseIntVect64
 
setVal(long, int) - Method in class org.RDKit.SparseIntVectu32
 
setVerbose(boolean) - Method in class org.RDKit.EmbedParameters
 
setWrite2D(boolean) - Method in class org.RDKit.TDTWriter
 
setWrite2D() - Method in class org.RDKit.TDTWriter
 
setWriteNames(boolean) - Method in class org.RDKit.TDTWriter
 
setWriteNames() - Method in class org.RDKit.TDTWriter
 
setX(double) - Method in class org.RDKit.Point2D
 
setX(double) - Method in class org.RDKit.Point3D
 
setX1(double) - Method in class org.RDKit.AtomicParams
 
setX_ij(double) - Method in class org.RDKit.UFFVdW
 
setY(double) - Method in class org.RDKit.Point2D
 
setY(double) - Method in class org.RDKit.Point3D
 
setZ(double) - Method in class org.RDKit.Point3D
 
setZ1(double) - Method in class org.RDKit.AtomicParams
 
setZeta(double) - Method in class org.RDKit.AtomicParams
 
Shared_Double_Array - Class in org.RDKit
 
Shared_Double_Array(long, boolean) - Constructor for class org.RDKit.Shared_Double_Array
 
Shared_Double_Array() - Constructor for class org.RDKit.Shared_Double_Array
 
Shared_Double_Array__internal_get_deleter(long, Shared_Double_Array, long) - Static method in class org.RDKit.RDKFuncsJNI
 
Shared_Double_Array_get(long, Shared_Double_Array) - Static method in class org.RDKit.RDKFuncsJNI
 
Shared_Double_Array_getElement(long, Shared_Double_Array, int) - Static method in class org.RDKit.RDKFuncsJNI
 
Shared_Double_Array_reset(long, Shared_Double_Array) - Static method in class org.RDKit.RDKFuncsJNI
 
Shared_Double_Array_setElement(long, Shared_Double_Array, int, double) - Static method in class org.RDKit.RDKFuncsJNI
 
Shared_Double_Array_swap(long, Shared_Double_Array, long, Shared_Double_Array) - Static method in class org.RDKit.RDKFuncsJNI
 
Shared_Double_Array_unique(long, Shared_Double_Array) - Static method in class org.RDKit.RDKFuncsJNI
 
Shared_Double_Array_use_count(long, Shared_Double_Array) - Static method in class org.RDKit.RDKFuncsJNI
 
Shared_Int_Array - Class in org.RDKit
 
Shared_Int_Array(long, boolean) - Constructor for class org.RDKit.Shared_Int_Array
 
Shared_Int_Array() - Constructor for class org.RDKit.Shared_Int_Array
 
Shared_Int_Array__internal_get_deleter(long, Shared_Int_Array, long) - Static method in class org.RDKit.RDKFuncsJNI
 
Shared_Int_Array_get(long, Shared_Int_Array) - Static method in class org.RDKit.RDKFuncsJNI
 
Shared_Int_Array_getElement(long, Shared_Int_Array, int) - Static method in class org.RDKit.RDKFuncsJNI
 
Shared_Int_Array_reset(long, Shared_Int_Array) - Static method in class org.RDKit.RDKFuncsJNI
 
Shared_Int_Array_setElement(long, Shared_Int_Array, int, int) - Static method in class org.RDKit.RDKFuncsJNI
 
Shared_Int_Array_swap(long, Shared_Int_Array, long, Shared_Int_Array) - Static method in class org.RDKit.RDKFuncsJNI
 
Shared_Int_Array_unique(long, Shared_Int_Array) - Static method in class org.RDKit.RDKFuncsJNI
 
Shared_Int_Array_use_count(long, Shared_Int_Array) - Static method in class org.RDKit.RDKFuncsJNI
 
signedAngleTo(Point2D) - Method in class org.RDKit.Point2D
 
signedAngleTo(Point3D) - Method in class org.RDKit.Point3D
determines the signed angle between a vector to this point from the origin and a vector to the other point.
size() - Method in class org.RDKit.Atom_Vect
 
size() - Method in class org.RDKit.Atomic_Params_Vect
 
size() - Method in class org.RDKit.BitInfoMap
 
size() - Method in class org.RDKit.BitVect
 
size() - Method in class org.RDKit.Bond_Vect
 
size() - Method in class org.RDKit.Byte_Vect
 
size() - Method in class org.RDKit.CachedMolHolder
 
size() - Method in class org.RDKit.CachedSmilesMolHolder
 
size() - Method in class org.RDKit.CachedTrustedSmilesMolHolder
 
size() - Method in class org.RDKit.ColourPalette
 
size() - Method in class org.RDKit.Double_Vect
 
size() - Method in class org.RDKit.EBV_Vect
 
size() - Method in class org.RDKit.FF_Contrib_Vect
 
size() - Method in class org.RDKit.FilterCatalogEntry_Vect
 
size() - Method in class org.RDKit.FilterCatalogEntry_VectVect
 
size() - Method in class org.RDKit.FilterCatalogEntryVect
 
size() - Method in class org.RDKit.FilterMatch_Vect
 
size() - Method in class org.RDKit.Float_Pair_Vect
 
size() - Method in class org.RDKit.Int_Double_Map
 
size() - Method in class org.RDKit.Int_Int_Map
 
size() - Method in class org.RDKit.Int_Int_Vect_List_Map
 
size() - Method in class org.RDKit.Int_Int_Vect_Map
 
size() - Method in class org.RDKit.Int_List
 
size() - Method in class org.RDKit.Int_Point2D_Map
 
size() - Method in class org.RDKit.Int_Point3D_Map
 
size() - Method in class org.RDKit.Int_String_Map
 
size() - Method in class org.RDKit.Int_Vect
 
size() - Method in class org.RDKit.Int_Vect_List
 
size() - Method in class org.RDKit.Int_Vect_Vect
 
size() - Method in class org.RDKit.Long_Pair_Vect
 
size() - Method in class org.RDKit.Match_Vect
 
size() - Method in class org.RDKit.Match_Vect_Vect
 
size() - Method in class org.RDKit.MolHolder
 
size() - Method in class org.RDKit.MolHolderBase
 
size() - Method in class org.RDKit.MolSanitizeException_Vect
 
size() - Method in class org.RDKit.Point2D_Vect
 
size() - Method in class org.RDKit.Point3D_Vect
 
size() - Method in class org.RDKit.Point_Vect
 
size() - Method in class org.RDKit.ROMol_Vect
 
size() - Method in class org.RDKit.ROMol_Vect_Vect
 
size() - Method in class org.RDKit.SparseIntVect32
 
size() - Method in class org.RDKit.SparseIntVect64
 
size() - Method in class org.RDKit.SparseIntVectu32
 
size() - Method in class org.RDKit.StereoGroup_Vect
 
size() - Method in class org.RDKit.Str_Vect
 
size() - Method in class org.RDKit.String_String_Map
 
size() - Method in class org.RDKit.StringMolMap
 
size() - Method in class org.RDKit.StringMolMap_Vect
 
size() - Method in class org.RDKit.StringROMol_VectMap
 
size() - Method in class org.RDKit.SubstructLibrary
 
size() - Method in class org.RDKit.Trajectory
 
size() - Method in class org.RDKit.UChar_Vect
 
size() - Method in class org.RDKit.UInt_List
 
size() - Method in class org.RDKit.UInt_Pair_Vect
 
size() - Method in class org.RDKit.UInt_Vect
 
size() - Method in class org.RDKit.UIntMolMap
 
size() - Method in class org.RDKit.UIntPairVect
 
SMALL_DOUBLE_get() - Static method in class org.RDKit.RDKFuncsJNI
 
SmartsToAtom(String) - Static method in class org.RDKit.RDKFuncs
 
SmartsToAtom(String) - Static method in class org.RDKit.RDKFuncsJNI
 
SmartsToBond(String) - Static method in class org.RDKit.RDKFuncs
 
SmartsToBond(String) - Static method in class org.RDKit.RDKFuncsJNI
 
SmilesMolSupplier - Class in org.RDKit
lazy file parser for Smiles tables
SmilesMolSupplier(long, boolean) - Constructor for class org.RDKit.SmilesMolSupplier
 
SmilesMolSupplier(String, String, int, int, boolean, boolean) - Constructor for class org.RDKit.SmilesMolSupplier
SmilesMolSupplier(String, String, int, int, boolean) - Constructor for class org.RDKit.SmilesMolSupplier
SmilesMolSupplier(String, String, int, int) - Constructor for class org.RDKit.SmilesMolSupplier
SmilesMolSupplier(String, String, int) - Constructor for class org.RDKit.SmilesMolSupplier
SmilesMolSupplier(String, String) - Constructor for class org.RDKit.SmilesMolSupplier
SmilesMolSupplier(String) - Constructor for class org.RDKit.SmilesMolSupplier
SmilesMolSupplier() - Constructor for class org.RDKit.SmilesMolSupplier
 
SmilesMolSupplier(SWIGTYPE_p_std__istream, boolean, String, int, int, boolean, boolean) - Constructor for class org.RDKit.SmilesMolSupplier
 
SmilesMolSupplier(SWIGTYPE_p_std__istream, boolean, String, int, int, boolean) - Constructor for class org.RDKit.SmilesMolSupplier
 
SmilesMolSupplier(SWIGTYPE_p_std__istream, boolean, String, int, int) - Constructor for class org.RDKit.SmilesMolSupplier
 
SmilesMolSupplier(SWIGTYPE_p_std__istream, boolean, String, int) - Constructor for class org.RDKit.SmilesMolSupplier
 
SmilesMolSupplier(SWIGTYPE_p_std__istream, boolean, String) - Constructor for class org.RDKit.SmilesMolSupplier
 
SmilesMolSupplier(SWIGTYPE_p_std__istream, boolean) - Constructor for class org.RDKit.SmilesMolSupplier
 
SmilesMolSupplier(SWIGTYPE_p_std__istream) - Constructor for class org.RDKit.SmilesMolSupplier
 
SmilesMolSupplier_atEnd(long, SmilesMolSupplier) - Static method in class org.RDKit.RDKFuncsJNI
 
SmilesMolSupplier_getItemText(long, SmilesMolSupplier, long) - Static method in class org.RDKit.RDKFuncsJNI
 
SmilesMolSupplier_init(long, SmilesMolSupplier) - Static method in class org.RDKit.RDKFuncsJNI
 
SmilesMolSupplier_length(long, SmilesMolSupplier) - Static method in class org.RDKit.RDKFuncsJNI
 
SmilesMolSupplier_moveTo(long, SmilesMolSupplier, long) - Static method in class org.RDKit.RDKFuncsJNI
 
SmilesMolSupplier_next(long, SmilesMolSupplier) - Static method in class org.RDKit.RDKFuncsJNI
 
SmilesMolSupplier_reset(long, SmilesMolSupplier) - Static method in class org.RDKit.RDKFuncsJNI
 
SmilesMolSupplier_setData__SWIG_0(long, SmilesMolSupplier, String, String, int, int, boolean, boolean) - Static method in class org.RDKit.RDKFuncsJNI
 
SmilesMolSupplier_setData__SWIG_1(long, SmilesMolSupplier, String, String, int, int, boolean) - Static method in class org.RDKit.RDKFuncsJNI
 
SmilesMolSupplier_setData__SWIG_2(long, SmilesMolSupplier, String, String, int, int) - Static method in class org.RDKit.RDKFuncsJNI
 
SmilesMolSupplier_setData__SWIG_3(long, SmilesMolSupplier, String, String, int) - Static method in class org.RDKit.RDKFuncsJNI
 
SmilesMolSupplier_setData__SWIG_4(long, SmilesMolSupplier, String, String) - Static method in class org.RDKit.RDKFuncsJNI
 
SmilesMolSupplier_setData__SWIG_5(long, SmilesMolSupplier, String) - Static method in class org.RDKit.RDKFuncsJNI
 
SmilesMolSupplier_SWIGUpcast(long) - Static method in class org.RDKit.RDKFuncsJNI
 
SmilesParseException - Exception in org.RDKit
 
SmilesParseException(long, boolean) - Constructor for exception org.RDKit.SmilesParseException
 
SmilesParseException(String) - Constructor for exception org.RDKit.SmilesParseException
 
SmilesParseException_message(long, SmilesParseException) - Static method in class org.RDKit.RDKFuncsJNI
 
SmilesParserParams - Class in org.RDKit
 
SmilesParserParams(long, boolean) - Constructor for class org.RDKit.SmilesParserParams
 
SmilesParserParams() - Constructor for class org.RDKit.SmilesParserParams
 
SmilesParserParams_allowCXSMILES_get(long, SmilesParserParams) - Static method in class org.RDKit.RDKFuncsJNI
 
SmilesParserParams_allowCXSMILES_set(long, SmilesParserParams, boolean) - Static method in class org.RDKit.RDKFuncsJNI
 
SmilesParserParams_debugParse_get(long, SmilesParserParams) - Static method in class org.RDKit.RDKFuncsJNI
 
SmilesParserParams_debugParse_set(long, SmilesParserParams, int) - Static method in class org.RDKit.RDKFuncsJNI
 
SmilesParserParams_parseName_get(long, SmilesParserParams) - Static method in class org.RDKit.RDKFuncsJNI
 
SmilesParserParams_parseName_set(long, SmilesParserParams, boolean) - Static method in class org.RDKit.RDKFuncsJNI
 
SmilesParserParams_removeHs_get(long, SmilesParserParams) - Static method in class org.RDKit.RDKFuncsJNI
 
SmilesParserParams_removeHs_set(long, SmilesParserParams, boolean) - Static method in class org.RDKit.RDKFuncsJNI
 
SmilesParserParams_replacements_get(long, SmilesParserParams) - Static method in class org.RDKit.RDKFuncsJNI
 
SmilesParserParams_replacements_set(long, SmilesParserParams, long, String_String_Map) - Static method in class org.RDKit.RDKFuncsJNI
 
SmilesParserParams_sanitize_get(long, SmilesParserParams) - Static method in class org.RDKit.RDKFuncsJNI
 
SmilesParserParams_sanitize_set(long, SmilesParserParams, boolean) - Static method in class org.RDKit.RDKFuncsJNI
 
smilesSymbol_get() - Static method in class org.RDKit.RDKFuncsJNI
 
SmilesToAtom(String) - Static method in class org.RDKit.RDKFuncs
 
SmilesToAtom(String) - Static method in class org.RDKit.RDKFuncsJNI
 
SmilesToBond(String) - Static method in class org.RDKit.RDKFuncs
 
SmilesToBond(String) - Static method in class org.RDKit.RDKFuncsJNI
 
SmilesWriter - Class in org.RDKit
The SmilesWriter is for writing molecules and properties to delimited text files.
SmilesWriter(long, boolean) - Constructor for class org.RDKit.SmilesWriter
 
SmilesWriter(String, String, String, boolean, boolean, boolean) - Constructor for class org.RDKit.SmilesWriter
 
SmilesWriter(String, String, String, boolean, boolean) - Constructor for class org.RDKit.SmilesWriter
 
SmilesWriter(String, String, String, boolean) - Constructor for class org.RDKit.SmilesWriter
 
SmilesWriter(String, String, String) - Constructor for class org.RDKit.SmilesWriter
 
SmilesWriter(String, String) - Constructor for class org.RDKit.SmilesWriter
 
SmilesWriter(String) - Constructor for class org.RDKit.SmilesWriter
 
SmilesWriter(SWIGTYPE_p_std__ostream, String, String, boolean, boolean, boolean, boolean) - Constructor for class org.RDKit.SmilesWriter
This is an overloaded member function, provided for convenience.
SmilesWriter(SWIGTYPE_p_std__ostream, String, String, boolean, boolean, boolean) - Constructor for class org.RDKit.SmilesWriter
This is an overloaded member function, provided for convenience.
SmilesWriter(SWIGTYPE_p_std__ostream, String, String, boolean, boolean) - Constructor for class org.RDKit.SmilesWriter
This is an overloaded member function, provided for convenience.
SmilesWriter(SWIGTYPE_p_std__ostream, String, String, boolean) - Constructor for class org.RDKit.SmilesWriter
This is an overloaded member function, provided for convenience.
SmilesWriter(SWIGTYPE_p_std__ostream, String, String) - Constructor for class org.RDKit.SmilesWriter
This is an overloaded member function, provided for convenience.
SmilesWriter(SWIGTYPE_p_std__ostream, String) - Constructor for class org.RDKit.SmilesWriter
This is an overloaded member function, provided for convenience.
SmilesWriter(SWIGTYPE_p_std__ostream) - Constructor for class org.RDKit.SmilesWriter
This is an overloaded member function, provided for convenience.
SmilesWriter_close(long, SmilesWriter) - Static method in class org.RDKit.RDKFuncsJNI
 
SmilesWriter_flush(long, SmilesWriter) - Static method in class org.RDKit.RDKFuncsJNI
 
SmilesWriter_numMols(long, SmilesWriter) - Static method in class org.RDKit.RDKFuncsJNI
 
SmilesWriter_setProps(long, SmilesWriter, long, Str_Vect) - Static method in class org.RDKit.RDKFuncsJNI
 
SmilesWriter_SWIGUpcast(long) - Static method in class org.RDKit.RDKFuncsJNI
 
SmilesWriter_write__SWIG_0(long, SmilesWriter, long, ROMol, int) - Static method in class org.RDKit.RDKFuncsJNI
 
SmilesWriter_write__SWIG_1(long, SmilesWriter, long, ROMol) - Static method in class org.RDKit.RDKFuncsJNI
 
Snapshot - Class in org.RDKit
 
Snapshot(long, boolean) - Constructor for class org.RDKit.Snapshot
 
Snapshot(Shared_Double_Array, double) - Constructor for class org.RDKit.Snapshot
 
Snapshot(Shared_Double_Array) - Constructor for class org.RDKit.Snapshot
 
Snapshot(Double_Vect, double) - Constructor for class org.RDKit.Snapshot
 
Snapshot(Double_Vect) - Constructor for class org.RDKit.Snapshot
 
Snapshot(Snapshot) - Constructor for class org.RDKit.Snapshot
 
Snapshot_getEnergy(long, Snapshot) - Static method in class org.RDKit.RDKFuncsJNI
 
Snapshot_getPoint2D(long, Snapshot, long) - Static method in class org.RDKit.RDKFuncsJNI
 
Snapshot_getPoint3D(long, Snapshot, long) - Static method in class org.RDKit.RDKFuncsJNI
 
Snapshot_setEnergy(long, Snapshot, double) - Static method in class org.RDKit.RDKFuncsJNI
 
Snapshot_SnapshotVect() - Static method in class org.RDKit.RDKFuncsJNI
 
Snapshot_trajectory(long, Snapshot) - Static method in class org.RDKit.RDKFuncsJNI
 
SnapshotVect() - Static method in class org.RDKit.Snapshot
 
SokalSimilarity(ExplicitBitVect, ExplicitBitVect) - Static method in class org.RDKit.RDKFuncs
 
SokalSimilarity(long, ExplicitBitVect, long, ExplicitBitVect) - Static method in class org.RDKit.RDKFuncsJNI
 
SparseIntVect32 - Class in org.RDKit
 
SparseIntVect32(long, boolean) - Constructor for class org.RDKit.SparseIntVect32
 
SparseIntVect32() - Constructor for class org.RDKit.SparseIntVect32
 
SparseIntVect32(int) - Constructor for class org.RDKit.SparseIntVect32
 
SparseIntVect32(SparseIntVect32) - Constructor for class org.RDKit.SparseIntVect32
 
SparseIntVect32(String) - Constructor for class org.RDKit.SparseIntVect32
 
SparseIntVect32(String, long) - Constructor for class org.RDKit.SparseIntVect32
 
SparseIntVect32_eq(long, SparseIntVect32, long, SparseIntVect32) - Static method in class org.RDKit.RDKFuncsJNI
 
SparseIntVect32_fromString(long, SparseIntVect32, String) - Static method in class org.RDKit.RDKFuncsJNI
 
SparseIntVect32_getLength(long, SparseIntVect32) - Static method in class org.RDKit.RDKFuncsJNI
 
SparseIntVect32_getNonzero(long, SparseIntVect32) - Static method in class org.RDKit.RDKFuncsJNI
 
SparseIntVect32_getNonzeroElements(long, SparseIntVect32) - Static method in class org.RDKit.RDKFuncsJNI
 
SparseIntVect32_getTotalVal__SWIG_0(long, SparseIntVect32, boolean) - Static method in class org.RDKit.RDKFuncsJNI
 
SparseIntVect32_getTotalVal__SWIG_1(long, SparseIntVect32) - Static method in class org.RDKit.RDKFuncsJNI
 
SparseIntVect32_getVal(long, SparseIntVect32, int) - Static method in class org.RDKit.RDKFuncsJNI
 
SparseIntVect32_ne(long, SparseIntVect32, long, SparseIntVect32) - Static method in class org.RDKit.RDKFuncsJNI
 
SparseIntVect32_setVal(long, SparseIntVect32, int, int) - Static method in class org.RDKit.RDKFuncsJNI
 
SparseIntVect32_size(long, SparseIntVect32) - Static method in class org.RDKit.RDKFuncsJNI
 
SparseIntVect32_toString(long, SparseIntVect32) - Static method in class org.RDKit.RDKFuncsJNI
 
SparseIntVect64 - Class in org.RDKit
 
SparseIntVect64(long, boolean) - Constructor for class org.RDKit.SparseIntVect64
 
SparseIntVect64() - Constructor for class org.RDKit.SparseIntVect64
 
SparseIntVect64(long) - Constructor for class org.RDKit.SparseIntVect64
 
SparseIntVect64(SparseIntVect64) - Constructor for class org.RDKit.SparseIntVect64
 
SparseIntVect64(String) - Constructor for class org.RDKit.SparseIntVect64
 
SparseIntVect64(String, long) - Constructor for class org.RDKit.SparseIntVect64
 
SparseIntVect64_eq(long, SparseIntVect64, long, SparseIntVect64) - Static method in class org.RDKit.RDKFuncsJNI
 
SparseIntVect64_fromString(long, SparseIntVect64, String) - Static method in class org.RDKit.RDKFuncsJNI
 
SparseIntVect64_getLength(long, SparseIntVect64) - Static method in class org.RDKit.RDKFuncsJNI
 
SparseIntVect64_getNonzero(long, SparseIntVect64) - Static method in class org.RDKit.RDKFuncsJNI
 
SparseIntVect64_getNonzeroElements(long, SparseIntVect64) - Static method in class org.RDKit.RDKFuncsJNI
 
SparseIntVect64_getTotalVal__SWIG_0(long, SparseIntVect64, boolean) - Static method in class org.RDKit.RDKFuncsJNI
 
SparseIntVect64_getTotalVal__SWIG_1(long, SparseIntVect64) - Static method in class org.RDKit.RDKFuncsJNI
 
SparseIntVect64_getVal(long, SparseIntVect64, long) - Static method in class org.RDKit.RDKFuncsJNI
 
SparseIntVect64_ne(long, SparseIntVect64, long, SparseIntVect64) - Static method in class org.RDKit.RDKFuncsJNI
 
SparseIntVect64_setVal(long, SparseIntVect64, long, int) - Static method in class org.RDKit.RDKFuncsJNI
 
SparseIntVect64_size(long, SparseIntVect64) - Static method in class org.RDKit.RDKFuncsJNI
 
SparseIntVect64_toString(long, SparseIntVect64) - Static method in class org.RDKit.RDKFuncsJNI
 
SparseIntVectu32 - Class in org.RDKit
 
SparseIntVectu32(long, boolean) - Constructor for class org.RDKit.SparseIntVectu32
 
SparseIntVectu32() - Constructor for class org.RDKit.SparseIntVectu32
 
SparseIntVectu32(long) - Constructor for class org.RDKit.SparseIntVectu32
 
SparseIntVectu32(SparseIntVectu32) - Constructor for class org.RDKit.SparseIntVectu32
 
SparseIntVectu32(String) - Constructor for class org.RDKit.SparseIntVectu32
 
SparseIntVectu32(String, long) - Constructor for class org.RDKit.SparseIntVectu32
 
SparseIntVectu32_eq(long, SparseIntVectu32, long, SparseIntVectu32) - Static method in class org.RDKit.RDKFuncsJNI
 
SparseIntVectu32_fromString(long, SparseIntVectu32, String) - Static method in class org.RDKit.RDKFuncsJNI
 
SparseIntVectu32_getLength(long, SparseIntVectu32) - Static method in class org.RDKit.RDKFuncsJNI
 
SparseIntVectu32_getNonzero(long, SparseIntVectu32) - Static method in class org.RDKit.RDKFuncsJNI
 
SparseIntVectu32_getNonzeroElements(long, SparseIntVectu32) - Static method in class org.RDKit.RDKFuncsJNI
 
SparseIntVectu32_getTotalVal__SWIG_0(long, SparseIntVectu32, boolean) - Static method in class org.RDKit.RDKFuncsJNI
 
SparseIntVectu32_getTotalVal__SWIG_1(long, SparseIntVectu32) - Static method in class org.RDKit.RDKFuncsJNI
 
SparseIntVectu32_getVal(long, SparseIntVectu32, long) - Static method in class org.RDKit.RDKFuncsJNI
 
SparseIntVectu32_ne(long, SparseIntVectu32, long, SparseIntVectu32) - Static method in class org.RDKit.RDKFuncsJNI
 
SparseIntVectu32_setVal(long, SparseIntVectu32, long, int) - Static method in class org.RDKit.RDKFuncsJNI
 
SparseIntVectu32_size(long, SparseIntVectu32) - Static method in class org.RDKit.RDKFuncsJNI
 
SparseIntVectu32_toString(long, SparseIntVectu32) - Static method in class org.RDKit.RDKFuncsJNI
 
SplitMolecule(RWMol, SWIGTYPE_p_std__vectorT_RDKit__RWMol_p_t) - Static method in class org.RDKit.RDKFuncs
 
SplitMolecule(long, RWMol, long) - Static method in class org.RDKit.RDKFuncsJNI
 
ss_matcher - Class in org.RDKit
 
ss_matcher(long, boolean) - Constructor for class org.RDKit.ss_matcher
 
ss_matcher() - Constructor for class org.RDKit.ss_matcher
 
ss_matcher(String) - Constructor for class org.RDKit.ss_matcher
 
ss_matcher_getMatcher(long, ss_matcher) - Static method in class org.RDKit.RDKFuncsJNI
 
standardizeSmiles(String) - Static method in class org.RDKit.RDKFuncs
 
standardizeSmiles(String) - Static method in class org.RDKit.RDKFuncsJNI
 
STEREO_ABSOLUTE - Static variable in class org.RDKit.StereoGroupType
 
STEREO_AND - Static variable in class org.RDKit.StereoGroupType
 
STEREO_OR - Static variable in class org.RDKit.StereoGroupType
 
StereoGroup - Class in org.RDKit
 
StereoGroup(long, boolean) - Constructor for class org.RDKit.StereoGroup
 
StereoGroup() - Constructor for class org.RDKit.StereoGroup
 
StereoGroup(StereoGroupType, Atom_Vect) - Constructor for class org.RDKit.StereoGroup
 
StereoGroup_getAtoms(long, StereoGroup) - Static method in class org.RDKit.RDKFuncsJNI
 
StereoGroup_getGroupType(long, StereoGroup) - Static method in class org.RDKit.RDKFuncsJNI
 
StereoGroup_Vect - Class in org.RDKit
 
StereoGroup_Vect(long, boolean) - Constructor for class org.RDKit.StereoGroup_Vect
 
StereoGroup_Vect() - Constructor for class org.RDKit.StereoGroup_Vect
 
StereoGroup_Vect(long) - Constructor for class org.RDKit.StereoGroup_Vect
 
StereoGroup_Vect_add(long, StereoGroup_Vect, long, StereoGroup) - Static method in class org.RDKit.RDKFuncsJNI
 
StereoGroup_Vect_capacity(long, StereoGroup_Vect) - Static method in class org.RDKit.RDKFuncsJNI
 
StereoGroup_Vect_clear(long, StereoGroup_Vect) - Static method in class org.RDKit.RDKFuncsJNI
 
StereoGroup_Vect_equals(long, StereoGroup_Vect, long, StereoGroup_Vect) - Static method in class org.RDKit.RDKFuncsJNI
 
StereoGroup_Vect_get(long, StereoGroup_Vect, int) - Static method in class org.RDKit.RDKFuncsJNI
 
StereoGroup_Vect_isEmpty(long, StereoGroup_Vect) - Static method in class org.RDKit.RDKFuncsJNI
 
StereoGroup_Vect_reserve(long, StereoGroup_Vect, long) - Static method in class org.RDKit.RDKFuncsJNI
 
StereoGroup_Vect_set(long, StereoGroup_Vect, int, long, StereoGroup) - Static method in class org.RDKit.RDKFuncsJNI
 
StereoGroup_Vect_size(long, StereoGroup_Vect) - Static method in class org.RDKit.RDKFuncsJNI
 
StereoGroupType - Class in org.RDKit
 
StereoGroupType_STEREO_ABSOLUTE_get() - Static method in class org.RDKit.RDKFuncsJNI
 
StereoGroupType_STEREO_AND_get() - Static method in class org.RDKit.RDKFuncsJNI
 
StereoGroupType_STEREO_OR_get() - Static method in class org.RDKit.RDKFuncsJNI
 
stereoParent(RWMol, CleanupParameters) - Static method in class org.RDKit.RDKFuncs
 
stereoParent(RWMol) - Static method in class org.RDKit.RDKFuncs
 
stereoParent__SWIG_0(long, RWMol, long, CleanupParameters) - Static method in class org.RDKit.RDKFuncsJNI
 
stereoParent__SWIG_1(long, RWMol) - Static method in class org.RDKit.RDKFuncsJNI
 
Str_Vect - Class in org.RDKit
 
Str_Vect(long, boolean) - Constructor for class org.RDKit.Str_Vect
 
Str_Vect() - Constructor for class org.RDKit.Str_Vect
 
Str_Vect(long) - Constructor for class org.RDKit.Str_Vect
 
Str_Vect_add(long, Str_Vect, String) - Static method in class org.RDKit.RDKFuncsJNI
 
Str_Vect_capacity(long, Str_Vect) - Static method in class org.RDKit.RDKFuncsJNI
 
Str_Vect_clear(long, Str_Vect) - Static method in class org.RDKit.RDKFuncsJNI
 
Str_Vect_equals(long, Str_Vect, long, Str_Vect) - Static method in class org.RDKit.RDKFuncsJNI
 
Str_Vect_get(long, Str_Vect, int) - Static method in class org.RDKit.RDKFuncsJNI
 
Str_Vect_isEmpty(long, Str_Vect) - Static method in class org.RDKit.RDKFuncsJNI
 
Str_Vect_reserve(long, Str_Vect, long) - Static method in class org.RDKit.RDKFuncsJNI
 
Str_Vect_set(long, Str_Vect, int, String) - Static method in class org.RDKit.RDKFuncsJNI
 
Str_Vect_size(long, Str_Vect) - Static method in class org.RDKit.RDKFuncsJNI
 
Strict_get() - Static method in class org.RDKit.RDKFuncsJNI
 
StrictLinkages_get() - Static method in class org.RDKit.RDKFuncsJNI
 
String_String_Map - Class in org.RDKit
 
String_String_Map(long, boolean) - Constructor for class org.RDKit.String_String_Map
 
String_String_Map() - Constructor for class org.RDKit.String_String_Map
 
String_String_Map(String_String_Map) - Constructor for class org.RDKit.String_String_Map
 
String_String_Map_clear(long, String_String_Map) - Static method in class org.RDKit.RDKFuncsJNI
 
String_String_Map_del(long, String_String_Map, String) - Static method in class org.RDKit.RDKFuncsJNI
 
String_String_Map_empty(long, String_String_Map) - Static method in class org.RDKit.RDKFuncsJNI
 
String_String_Map_get(long, String_String_Map, String) - Static method in class org.RDKit.RDKFuncsJNI
 
String_String_Map_has_key(long, String_String_Map, String) - Static method in class org.RDKit.RDKFuncsJNI
 
String_String_Map_set(long, String_String_Map, String, String) - Static method in class org.RDKit.RDKFuncsJNI
 
String_String_Map_size(long, String_String_Map) - Static method in class org.RDKit.RDKFuncsJNI
 
StringInt_Pair - Class in org.RDKit
 
StringInt_Pair(long, boolean) - Constructor for class org.RDKit.StringInt_Pair
 
StringInt_Pair() - Constructor for class org.RDKit.StringInt_Pair
 
StringInt_Pair(String, int) - Constructor for class org.RDKit.StringInt_Pair
 
StringInt_Pair(StringInt_Pair) - Constructor for class org.RDKit.StringInt_Pair
 
StringInt_Pair_first_get(long, StringInt_Pair) - Static method in class org.RDKit.RDKFuncsJNI
 
StringInt_Pair_first_set(long, StringInt_Pair, String) - Static method in class org.RDKit.RDKFuncsJNI
 
StringInt_Pair_second_get(long, StringInt_Pair) - Static method in class org.RDKit.RDKFuncsJNI
 
StringInt_Pair_second_set(long, StringInt_Pair, int) - Static method in class org.RDKit.RDKFuncsJNI
 
StringMolMap - Class in org.RDKit
 
StringMolMap(long, boolean) - Constructor for class org.RDKit.StringMolMap
 
StringMolMap() - Constructor for class org.RDKit.StringMolMap
 
StringMolMap(StringMolMap) - Constructor for class org.RDKit.StringMolMap
 
StringMolMap_clear(long, StringMolMap) - Static method in class org.RDKit.RDKFuncsJNI
 
StringMolMap_del(long, StringMolMap, String) - Static method in class org.RDKit.RDKFuncsJNI
 
StringMolMap_empty(long, StringMolMap) - Static method in class org.RDKit.RDKFuncsJNI
 
StringMolMap_get(long, StringMolMap, String) - Static method in class org.RDKit.RDKFuncsJNI
 
StringMolMap_has_key(long, StringMolMap, String) - Static method in class org.RDKit.RDKFuncsJNI
 
StringMolMap_set(long, StringMolMap, String, long, ROMol) - Static method in class org.RDKit.RDKFuncsJNI
 
StringMolMap_size(long, StringMolMap) - Static method in class org.RDKit.RDKFuncsJNI
 
StringMolMap_Vect - Class in org.RDKit
 
StringMolMap_Vect(long, boolean) - Constructor for class org.RDKit.StringMolMap_Vect
 
StringMolMap_Vect() - Constructor for class org.RDKit.StringMolMap_Vect
 
StringMolMap_Vect(long) - Constructor for class org.RDKit.StringMolMap_Vect
 
StringMolMap_Vect_add(long, StringMolMap_Vect, long, StringMolMap) - Static method in class org.RDKit.RDKFuncsJNI
 
StringMolMap_Vect_capacity(long, StringMolMap_Vect) - Static method in class org.RDKit.RDKFuncsJNI
 
StringMolMap_Vect_clear(long, StringMolMap_Vect) - Static method in class org.RDKit.RDKFuncsJNI
 
StringMolMap_Vect_equals(long, StringMolMap_Vect, long, StringMolMap_Vect) - Static method in class org.RDKit.RDKFuncsJNI
 
StringMolMap_Vect_get(long, StringMolMap_Vect, int) - Static method in class org.RDKit.RDKFuncsJNI
 
StringMolMap_Vect_isEmpty(long, StringMolMap_Vect) - Static method in class org.RDKit.RDKFuncsJNI
 
StringMolMap_Vect_reserve(long, StringMolMap_Vect, long) - Static method in class org.RDKit.RDKFuncsJNI
 
StringMolMap_Vect_set(long, StringMolMap_Vect, int, long, StringMolMap) - Static method in class org.RDKit.RDKFuncsJNI
 
StringMolMap_Vect_size(long, StringMolMap_Vect) - Static method in class org.RDKit.RDKFuncsJNI
 
StringROMol_VectMap - Class in org.RDKit
 
StringROMol_VectMap(long, boolean) - Constructor for class org.RDKit.StringROMol_VectMap
 
StringROMol_VectMap() - Constructor for class org.RDKit.StringROMol_VectMap
 
StringROMol_VectMap(StringROMol_VectMap) - Constructor for class org.RDKit.StringROMol_VectMap
 
StringROMol_VectMap_clear(long, StringROMol_VectMap) - Static method in class org.RDKit.RDKFuncsJNI
 
StringROMol_VectMap_del(long, StringROMol_VectMap, String) - Static method in class org.RDKit.RDKFuncsJNI
 
StringROMol_VectMap_empty(long, StringROMol_VectMap) - Static method in class org.RDKit.RDKFuncsJNI
 
StringROMol_VectMap_get(long, StringROMol_VectMap, String) - Static method in class org.RDKit.RDKFuncsJNI
 
StringROMol_VectMap_has_key(long, StringROMol_VectMap, String) - Static method in class org.RDKit.RDKFuncsJNI
 
StringROMol_VectMap_keys(long, StringROMol_VectMap) - Static method in class org.RDKit.RDKFuncsJNI
 
StringROMol_VectMap_set(long, StringROMol_VectMap, String, long, ROMol_Vect) - Static method in class org.RDKit.RDKFuncsJNI
 
StringROMol_VectMap_size(long, StringROMol_VectMap) - Static method in class org.RDKit.RDKFuncsJNI
 
strip(String) - Static method in class org.RDKit.RDKFuncs
 
Strip(RWMol, long) - Static method in class org.RDKit.RDKFuncs
 
strip(String) - Static method in class org.RDKit.RDKFuncsJNI
 
Strip(long, RWMol, long) - Static method in class org.RDKit.RDKFuncsJNI
 
StripType - Enum in org.RDKit
 
StripType_AtomMap_get() - Static method in class org.RDKit.RDKFuncsJNI
 
StripType_AtomStereo_get() - Static method in class org.RDKit.RDKFuncsJNI
 
StripType_BondStereo_get() - Static method in class org.RDKit.RDKFuncsJNI
 
StripType_Hydrogen_get() - Static method in class org.RDKit.RDKFuncsJNI
 
StripType_Isotope_get() - Static method in class org.RDKit.RDKFuncsJNI
 
StructuralFingerprintChemReaction(ChemicalReaction, ReactionFingerprintParams) - Static method in class org.RDKit.RDKFuncs
 
StructuralFingerprintChemReaction(ChemicalReaction) - Static method in class org.RDKit.RDKFuncs
 
StructuralFingerprintChemReaction__SWIG_0(long, ChemicalReaction, long, ReactionFingerprintParams) - Static method in class org.RDKit.RDKFuncsJNI
 
StructuralFingerprintChemReaction__SWIG_1(long, ChemicalReaction) - Static method in class org.RDKit.RDKFuncsJNI
 
substructLayers_get() - Static method in class org.RDKit.RDKFuncsJNI
 
SubstructLibrary - Class in org.RDKit
 
SubstructLibrary(long, boolean) - Constructor for class org.RDKit.SubstructLibrary
 
SubstructLibrary() - Constructor for class org.RDKit.SubstructLibrary
 
SubstructLibrary(MolHolderBase) - Constructor for class org.RDKit.SubstructLibrary
 
SubstructLibrary(MolHolderBase, FPHolderBase) - Constructor for class org.RDKit.SubstructLibrary
 
SubstructLibrary(String) - Constructor for class org.RDKit.SubstructLibrary
 
SubstructLibrary(UChar_Vect) - Constructor for class org.RDKit.SubstructLibrary
 
SubstructLibrary_addMol(long, SubstructLibrary, long, ROMol) - Static method in class org.RDKit.RDKFuncsJNI
 
SubstructLibrary_canSerialize(long, SubstructLibrary) - Static method in class org.RDKit.RDKFuncsJNI
 
SubstructLibrary_countMatches__SWIG_0(long, SubstructLibrary, long, ROMol, boolean, boolean, boolean, int) - Static method in class org.RDKit.RDKFuncsJNI
 
SubstructLibrary_countMatches__SWIG_1(long, SubstructLibrary, long, ROMol, boolean, boolean, boolean) - Static method in class org.RDKit.RDKFuncsJNI
 
SubstructLibrary_countMatches__SWIG_2(long, SubstructLibrary, long, ROMol, boolean, boolean) - Static method in class org.RDKit.RDKFuncsJNI
 
SubstructLibrary_countMatches__SWIG_3(long, SubstructLibrary, long, ROMol, boolean) - Static method in class org.RDKit.RDKFuncsJNI
 
SubstructLibrary_countMatches__SWIG_4(long, SubstructLibrary, long, ROMol) - Static method in class org.RDKit.RDKFuncsJNI
 
SubstructLibrary_countMatches__SWIG_5(long, SubstructLibrary, long, ROMol, long, long, boolean, boolean, boolean, int) - Static method in class org.RDKit.RDKFuncsJNI
 
SubstructLibrary_countMatches__SWIG_6(long, SubstructLibrary, long, ROMol, long, long, boolean, boolean, boolean) - Static method in class org.RDKit.RDKFuncsJNI
 
SubstructLibrary_countMatches__SWIG_7(long, SubstructLibrary, long, ROMol, long, long, boolean, boolean) - Static method in class org.RDKit.RDKFuncsJNI
 
SubstructLibrary_countMatches__SWIG_8(long, SubstructLibrary, long, ROMol, long, long, boolean) - Static method in class org.RDKit.RDKFuncsJNI
 
SubstructLibrary_countMatches__SWIG_9(long, SubstructLibrary, long, ROMol, long, long) - Static method in class org.RDKit.RDKFuncsJNI
 
SubstructLibrary_getFingerprints__SWIG_0(long, SubstructLibrary) - Static method in class org.RDKit.RDKFuncsJNI
 
SubstructLibrary_getFpHolder__SWIG_0(long, SubstructLibrary) - Static method in class org.RDKit.RDKFuncsJNI
 
SubstructLibrary_getMatches__SWIG_0(long, SubstructLibrary, long, ROMol, boolean, boolean, boolean, int, int) - Static method in class org.RDKit.RDKFuncsJNI
 
SubstructLibrary_getMatches__SWIG_1(long, SubstructLibrary, long, ROMol, boolean, boolean, boolean, int) - Static method in class org.RDKit.RDKFuncsJNI
 
SubstructLibrary_getMatches__SWIG_10(long, SubstructLibrary, long, ROMol, long, long, boolean) - Static method in class org.RDKit.RDKFuncsJNI
 
SubstructLibrary_getMatches__SWIG_11(long, SubstructLibrary, long, ROMol, long, long) - Static method in class org.RDKit.RDKFuncsJNI
 
SubstructLibrary_getMatches__SWIG_2(long, SubstructLibrary, long, ROMol, boolean, boolean, boolean) - Static method in class org.RDKit.RDKFuncsJNI
 
SubstructLibrary_getMatches__SWIG_3(long, SubstructLibrary, long, ROMol, boolean, boolean) - Static method in class org.RDKit.RDKFuncsJNI
 
SubstructLibrary_getMatches__SWIG_4(long, SubstructLibrary, long, ROMol, boolean) - Static method in class org.RDKit.RDKFuncsJNI
 
SubstructLibrary_getMatches__SWIG_5(long, SubstructLibrary, long, ROMol) - Static method in class org.RDKit.RDKFuncsJNI
 
SubstructLibrary_getMatches__SWIG_6(long, SubstructLibrary, long, ROMol, long, long, boolean, boolean, boolean, int, int) - Static method in class org.RDKit.RDKFuncsJNI
 
SubstructLibrary_getMatches__SWIG_7(long, SubstructLibrary, long, ROMol, long, long, boolean, boolean, boolean, int) - Static method in class org.RDKit.RDKFuncsJNI
 
SubstructLibrary_getMatches__SWIG_8(long, SubstructLibrary, long, ROMol, long, long, boolean, boolean, boolean) - Static method in class org.RDKit.RDKFuncsJNI
 
SubstructLibrary_getMatches__SWIG_9(long, SubstructLibrary, long, ROMol, long, long, boolean, boolean) - Static method in class org.RDKit.RDKFuncsJNI
 
SubstructLibrary_getMol(long, SubstructLibrary, long) - Static method in class org.RDKit.RDKFuncsJNI
 
SubstructLibrary_getMolecules(long, SubstructLibrary) - Static method in class org.RDKit.RDKFuncsJNI
 
SubstructLibrary_getMolHolder__SWIG_0(long, SubstructLibrary) - Static method in class org.RDKit.RDKFuncsJNI
 
SubstructLibrary_hasMatch__SWIG_0(long, SubstructLibrary, long, ROMol, boolean, boolean, boolean, int) - Static method in class org.RDKit.RDKFuncsJNI
 
SubstructLibrary_hasMatch__SWIG_1(long, SubstructLibrary, long, ROMol, boolean, boolean, boolean) - Static method in class org.RDKit.RDKFuncsJNI
 
SubstructLibrary_hasMatch__SWIG_2(long, SubstructLibrary, long, ROMol, boolean, boolean) - Static method in class org.RDKit.RDKFuncsJNI
 
SubstructLibrary_hasMatch__SWIG_3(long, SubstructLibrary, long, ROMol, boolean) - Static method in class org.RDKit.RDKFuncsJNI
 
SubstructLibrary_hasMatch__SWIG_4(long, SubstructLibrary, long, ROMol) - Static method in class org.RDKit.RDKFuncsJNI
 
SubstructLibrary_hasMatch__SWIG_5(long, SubstructLibrary, long, ROMol, long, long, boolean, boolean, boolean, int) - Static method in class org.RDKit.RDKFuncsJNI
 
SubstructLibrary_hasMatch__SWIG_6(long, SubstructLibrary, long, ROMol, long, long, boolean, boolean, boolean) - Static method in class org.RDKit.RDKFuncsJNI
 
SubstructLibrary_hasMatch__SWIG_7(long, SubstructLibrary, long, ROMol, long, long, boolean, boolean) - Static method in class org.RDKit.RDKFuncsJNI
 
SubstructLibrary_hasMatch__SWIG_8(long, SubstructLibrary, long, ROMol, long, long, boolean) - Static method in class org.RDKit.RDKFuncsJNI
 
SubstructLibrary_hasMatch__SWIG_9(long, SubstructLibrary, long, ROMol, long, long) - Static method in class org.RDKit.RDKFuncsJNI
 
SubstructLibrary_initFromStream(long, SubstructLibrary, long) - Static method in class org.RDKit.RDKFuncsJNI
 
SubstructLibrary_initFromString(long, SubstructLibrary, String) - Static method in class org.RDKit.RDKFuncsJNI
 
SubstructLibrary_resetHolders(long, SubstructLibrary) - Static method in class org.RDKit.RDKFuncsJNI
 
SubstructLibrary_Serialize(long, SubstructLibrary) - Static method in class org.RDKit.RDKFuncsJNI
 
SubstructLibrary_size(long, SubstructLibrary) - Static method in class org.RDKit.RDKFuncsJNI
 
SubstructLibrary_toStream(long, SubstructLibrary, long) - Static method in class org.RDKit.RDKFuncsJNI
 
SubstructLibraryCanSerialize() - Static method in class org.RDKit.RDKFuncs
 
SubstructLibraryCanSerialize() - Static method in class org.RDKit.RDKFuncsJNI
 
SubstructLibraryDeserialize(byte[]) - Static method in class org.RDKit.RDKFuncs
 
SubstructMatchParameters - Class in org.RDKit
 
SubstructMatchParameters(long, boolean) - Constructor for class org.RDKit.SubstructMatchParameters
 
SubstructMatchParameters() - Constructor for class org.RDKit.SubstructMatchParameters
 
SubstructMatchParameters_aromaticMatchesConjugated_get(long, SubstructMatchParameters) - Static method in class org.RDKit.RDKFuncsJNI
 
SubstructMatchParameters_aromaticMatchesConjugated_set(long, SubstructMatchParameters, boolean) - Static method in class org.RDKit.RDKFuncsJNI
 
SubstructMatchParameters_maxMatches_get(long, SubstructMatchParameters) - Static method in class org.RDKit.RDKFuncsJNI
 
SubstructMatchParameters_maxMatches_set(long, SubstructMatchParameters, long) - Static method in class org.RDKit.RDKFuncsJNI
 
SubstructMatchParameters_numThreads_get(long, SubstructMatchParameters) - Static method in class org.RDKit.RDKFuncsJNI
 
SubstructMatchParameters_numThreads_set(long, SubstructMatchParameters, int) - Static method in class org.RDKit.RDKFuncsJNI
 
SubstructMatchParameters_recursionPossible_get(long, SubstructMatchParameters) - Static method in class org.RDKit.RDKFuncsJNI
 
SubstructMatchParameters_recursionPossible_set(long, SubstructMatchParameters, boolean) - Static method in class org.RDKit.RDKFuncsJNI
 
SubstructMatchParameters_uniquify_get(long, SubstructMatchParameters) - Static method in class org.RDKit.RDKFuncsJNI
 
SubstructMatchParameters_uniquify_set(long, SubstructMatchParameters, boolean) - Static method in class org.RDKit.RDKFuncsJNI
 
SubstructMatchParameters_useChirality_get(long, SubstructMatchParameters) - Static method in class org.RDKit.RDKFuncsJNI
 
SubstructMatchParameters_useChirality_set(long, SubstructMatchParameters, boolean) - Static method in class org.RDKit.RDKFuncsJNI
 
SubstructMatchParameters_useQueryQueryMatches_get(long, SubstructMatchParameters) - Static method in class org.RDKit.RDKFuncsJNI
 
SubstructMatchParameters_useQueryQueryMatches_set(long, SubstructMatchParameters, boolean) - Static method in class org.RDKit.RDKFuncsJNI
 
superParent(RWMol, CleanupParameters) - Static method in class org.RDKit.RDKFuncs
 
superParent(RWMol) - Static method in class org.RDKit.RDKFuncs
 
superParent__SWIG_0(long, RWMol, long, CleanupParameters) - Static method in class org.RDKit.RDKFuncsJNI
 
superParent__SWIG_1(long, RWMol) - Static method in class org.RDKit.RDKFuncsJNI
 
swap(Shared_Double_Array) - Method in class org.RDKit.Shared_Double_Array
 
swap(Shared_Int_Array) - Method in class org.RDKit.Shared_Int_Array
 
swigCMemOwn - Variable in class org.RDKit.AdjustQueryParameters
 
swigCMemOwn - Variable in class org.RDKit.AromaticAtomIterator
 
swigCMemOwn - Variable in class org.RDKit.Atom_Vect
 
swigCMemOwn - Variable in class org.RDKit.Atomic_Params_Vect
 
swigCMemOwn - Variable in class org.RDKit.atomicData
 
swigCMemOwn - Variable in class org.RDKit.AtomicParams
 
swigCMemOwn - Variable in class org.RDKit.AtomIterator
 
swigCMemOwn - Variable in class org.RDKit.AtomMonomerInfo
 
swigCMemOwn - Variable in class org.RDKit.AtomRingQuery
 
swigCMemOwn - Variable in class org.RDKit.BitInfoMap
 
swigCMemOwn - Variable in class org.RDKit.BitVect
 
swigCMemOwn - Variable in class org.RDKit.Bond_Vect
 
swigCMemOwn - Variable in class org.RDKit.BondIterator
 
swigCMemOwn - Variable in class org.RDKit.Byte_Vect
 
swigCMemOwn - Variable in class org.RDKit.CatalogParams
 
swigCMemOwn - Variable in class org.RDKit.charptr_functor
 
swigCMemOwn - Variable in exception org.RDKit.ChemicalReactionException
 
swigCMemOwn - Variable in exception org.RDKit.ChemicalReactionParserException
 
swigCMemOwn - Variable in class org.RDKit.ChiralSet
 
swigCMemOwn - Variable in class org.RDKit.CleanupParameters
 
swigCMemOwn - Variable in class org.RDKit.ColourPalette
 
swigCMemOwn - Variable in class org.RDKit.Conformer
 
swigCMemOwn - Variable in exception org.RDKit.ConformerException
 
swigCMemOwn - Variable in class org.RDKit.ConstBondIterator
 
swigCMemOwn - Variable in class org.RDKit.ContourParams
 
swigCMemOwn - Variable in class org.RDKit.Dict
 
swigCMemOwn - Variable in class org.RDKit.DistanceGeom
 
swigCMemOwn - Variable in class org.RDKit.Double_Array
 
swigCMemOwn - Variable in class org.RDKit.Double_Pair
 
swigCMemOwn - Variable in class org.RDKit.Double_Vect
 
swigCMemOwn - Variable in class org.RDKit.DoubleMatrix
 
swigCMemOwn - Variable in class org.RDKit.DoubleSymmMatrix
 
swigCMemOwn - Variable in class org.RDKit.DrawColour
 
swigCMemOwn - Variable in class org.RDKit.EBV_Vect
 
swigCMemOwn - Variable in class org.RDKit.EmbedParameters
 
swigCMemOwn - Variable in class org.RDKit.ExtraInchiReturnValues
 
swigCMemOwn - Variable in class org.RDKit.FF_Contrib_Vect
 
swigCMemOwn - Variable in class org.RDKit.FilterCatalog
 
swigCMemOwn - Variable in class org.RDKit.FilterCatalogEntry_Vect
 
swigCMemOwn - Variable in class org.RDKit.FilterCatalogEntry_VectVect
 
swigCMemOwn - Variable in class org.RDKit.FilterCatalogEntryVect
 
swigCMemOwn - Variable in class org.RDKit.FilterMatch
 
swigCMemOwn - Variable in class org.RDKit.FilterMatch_Vect
 
swigCMemOwn - Variable in class org.RDKit.FilterMatcherBase
 
swigCMemOwn - Variable in class org.RDKit.Flagged_Atomic_Params_Vect
 
swigCMemOwn - Variable in class org.RDKit.Float_Pair
 
swigCMemOwn - Variable in class org.RDKit.Float_Pair_Vect
 
swigCMemOwn - Variable in class org.RDKit.ForceField
 
swigCMemOwn - Variable in class org.RDKit.FragmenterBondType
 
swigCMemOwn - Variable in exception org.RDKit.GenericRDKitException
 
swigCMemOwn - Variable in class org.RDKit.gzstream
 
swigCMemOwn - Variable in class org.RDKit.HeteroatomIterator
 
swigCMemOwn - Variable in class org.RDKit.IndexErrorException
 
swigCMemOwn - Variable in class org.RDKit.Int_Double_Map
 
swigCMemOwn - Variable in class org.RDKit.Int_Int_Map
 
swigCMemOwn - Variable in class org.RDKit.Int_Int_Vect_List_Map
 
swigCMemOwn - Variable in class org.RDKit.Int_Int_Vect_Map
 
swigCMemOwn - Variable in class org.RDKit.Int_List
 
swigCMemOwn - Variable in class org.RDKit.Int_Pair
 
swigCMemOwn - Variable in class org.RDKit.Int_Point2D_Map
 
swigCMemOwn - Variable in class org.RDKit.Int_Point3D_Map
 
swigCMemOwn - Variable in class org.RDKit.Int_String_Map
 
swigCMemOwn - Variable in class org.RDKit.Int_Vect
 
swigCMemOwn - Variable in class org.RDKit.Int_Vect_List
 
swigCMemOwn - Variable in class org.RDKit.Int_Vect_Vect
 
swigCMemOwn - Variable in class org.RDKit.IntMatrix
 
swigCMemOwn - Variable in class org.RDKit.IntSymmMatrix
 
swigCMemOwn - Variable in exception org.RDKit.KeyErrorException
 
swigCMemOwn - Variable in class org.RDKit.Long_Pair
 
swigCMemOwn - Variable in class org.RDKit.Long_Pair_Vect
 
swigCMemOwn - Variable in class org.RDKit.ltDouble
 
swigCMemOwn - Variable in class org.RDKit.Match_Vect
 
swigCMemOwn - Variable in class org.RDKit.Match_Vect_Vect
 
swigCMemOwn - Variable in class org.RDKit.MCSAtomCompareParameters
 
swigCMemOwn - Variable in class org.RDKit.MCSBondCompareParameters
 
swigCMemOwn - Variable in class org.RDKit.MCSProgressData
 
swigCMemOwn - Variable in class org.RDKit.MCSResult
 
swigCMemOwn - Variable in class org.RDKit.MolDraw2D
 
swigCMemOwn - Variable in class org.RDKit.MolDrawOptions
 
swigCMemOwn - Variable in class org.RDKit.MolFileUnhandledFeatureException
 
swigCMemOwn - Variable in class org.RDKit.MolSanitizeException_Vect
 
swigCMemOwn - Variable in class org.RDKit.MolStackElem
 
swigCMemOwn - Variable in class org.RDKit.MolStackUnion
 
swigCMemOwn - Variable in class org.RDKit.MolSupplier
 
swigCMemOwn - Variable in class org.RDKit.MolWriter
 
swigCMemOwn - Variable in class org.RDKit.ParamCollection
 
swigCMemOwn - Variable in class org.RDKit.Point
 
swigCMemOwn - Variable in class org.RDKit.Point2D_Vect
 
swigCMemOwn - Variable in class org.RDKit.Point3D_Vect
 
swigCMemOwn - Variable in class org.RDKit.Point_Vect
 
swigCMemOwn - Variable in class org.RDKit.QueryAtomIterator
 
swigCMemOwn - Variable in class org.RDKit.ReactionFingerprintParams
 
swigCMemOwn - Variable in class org.RDKit.RecursiveStructureQuery
 
swigCMemOwn - Variable in class org.RDKit.ResonanceMolSupplier
 
swigCMemOwn - Variable in class org.RDKit.RGroupDecomposition
 
swigCMemOwn - Variable in class org.RDKit.RGroupDecompositionParameters
 
swigCMemOwn - Variable in class org.RDKit.ROMol_Vect
 
swigCMemOwn - Variable in class org.RDKit.ROMol_Vect_Vect
 
swigCMemOwn - Variable in class org.RDKit.Shared_Double_Array
 
swigCMemOwn - Variable in class org.RDKit.Shared_Int_Array
 
swigCMemOwn - Variable in class org.RDKit.SmilesParserParams
 
swigCMemOwn - Variable in class org.RDKit.Snapshot
 
swigCMemOwn - Variable in class org.RDKit.SparseIntVect32
 
swigCMemOwn - Variable in class org.RDKit.SparseIntVect64
 
swigCMemOwn - Variable in class org.RDKit.SparseIntVectu32
 
swigCMemOwn - Variable in class org.RDKit.ss_matcher
 
swigCMemOwn - Variable in class org.RDKit.StereoGroup
 
swigCMemOwn - Variable in class org.RDKit.StereoGroup_Vect
 
swigCMemOwn - Variable in class org.RDKit.Str_Vect
 
swigCMemOwn - Variable in class org.RDKit.String_String_Map
 
swigCMemOwn - Variable in class org.RDKit.StringInt_Pair
 
swigCMemOwn - Variable in class org.RDKit.StringMolMap
 
swigCMemOwn - Variable in class org.RDKit.StringMolMap_Vect
 
swigCMemOwn - Variable in class org.RDKit.StringROMol_VectMap
 
swigCMemOwn - Variable in class org.RDKit.SubstructLibrary
 
swigCMemOwn - Variable in class org.RDKit.SubstructMatchParameters
 
swigCMemOwn - Variable in class org.RDKit.Trajectory
 
swigCMemOwn - Variable in class org.RDKit.UChar_Vect
 
swigCMemOwn - Variable in class org.RDKit.UFFAngle
 
swigCMemOwn - Variable in class org.RDKit.UFFBond
 
swigCMemOwn - Variable in class org.RDKit.UFFInv
 
swigCMemOwn - Variable in class org.RDKit.UFFTor
 
swigCMemOwn - Variable in class org.RDKit.UFFVdW
 
swigCMemOwn - Variable in class org.RDKit.UInt_List
 
swigCMemOwn - Variable in class org.RDKit.UInt_Pair
 
swigCMemOwn - Variable in class org.RDKit.UInt_Pair_Vect
 
swigCMemOwn - Variable in class org.RDKit.UInt_Vect
 
swigCMemOwn - Variable in class org.RDKit.UIntMolMap
 
swigCMemOwn - Variable in class org.RDKit.UIntPair
 
swigCMemOwn - Variable in class org.RDKit.UIntPairVect
 
swigCMemOwn - Variable in class org.RDKit.ValueErrorException
 
swigToEnum(int) - Static method in enum org.RDKit.AdjustQueryWhichFlags
 
swigToEnum(int) - Static method in enum org.RDKit.AromaticityModel
 
swigToEnum(int) - Static method in enum org.RDKit.Atom.ChiralType
 
swigToEnum(int) - Static method in enum org.RDKit.Atom.HybridizationType
 
swigToEnum(int) - Static method in enum org.RDKit.AtomColors
 
swigToEnum(int) - Static method in enum org.RDKit.AtomComparator
 
swigToEnum(int) - Static method in enum org.RDKit.AtomMonomerInfo.AtomMonomerType
 
swigToEnum(int) - Static method in enum org.RDKit.AxisType
 
swigToEnum(int) - Static method in enum org.RDKit.Bond.BondDir
 
swigToEnum(int) - Static method in enum org.RDKit.Bond.BondStereo
 
swigToEnum(int) - Static method in enum org.RDKit.Bond.BondType
 
swigToEnum(int) - Static method in enum org.RDKit.BondComparator
 
swigToEnum(int) - Static method in enum org.RDKit.CompositeQueryType
 
swigToEnum(int) - Static method in enum org.RDKit.FilterCatalogParams.FilterCatalogs
 
swigToEnum(int) - Static method in enum org.RDKit.FingerprintType
 
swigToEnum(int) - Static method in enum org.RDKit.HashFunction
 
swigToEnum(int) - Static method in enum org.RDKit.Mol2Type
 
swigToEnum(int) - Static method in enum org.RDKit.MolDraw2D.OrientType
 
swigToEnum(int) - Static method in enum org.RDKit.MolDraw2D.TextDrawType
 
swigToEnum(int) - Static method in enum org.RDKit.MolStackTypes
 
swigToEnum(int) - Static method in enum org.RDKit.NumRotatableBondsOptions
 
swigToEnum(int) - Static method in class org.RDKit.PropertyPickleOptions
 
swigToEnum(int) - Static method in enum org.RDKit.ResonanceMolSupplier.ResonanceFlags
 
swigToEnum(int) - Static method in enum org.RDKit.RGroupCoreAlignment
 
swigToEnum(int) - Static method in enum org.RDKit.RGroupLabelling
 
swigToEnum(int) - Static method in enum org.RDKit.RGroupLabels
 
swigToEnum(int) - Static method in enum org.RDKit.RGroupMatching
 
swigToEnum(int) - Static method in enum org.RDKit.RingComparator
 
swigToEnum(int) - Static method in enum org.RDKit.SanitizeFlags
 
swigToEnum(int) - Static method in class org.RDKit.StereoGroupType
 
swigToEnum(int) - Static method in enum org.RDKit.StripType
 
SWIGTYPE_p_bool - Class in org.RDKit
 
SWIGTYPE_p_bool(long, boolean) - Constructor for class org.RDKit.SWIGTYPE_p_bool
 
SWIGTYPE_p_bool() - Constructor for class org.RDKit.SWIGTYPE_p_bool
 
SWIGTYPE_p_boost__adjacency_listT_boost__vecS_boost__vecS_boost__undirectedS_RDKit__Atom_p_RDKit__Bond_p_t__edge_iterator - Class in org.RDKit
 
SWIGTYPE_p_boost__adjacency_listT_boost__vecS_boost__vecS_boost__undirectedS_RDKit__Atom_p_RDKit__Bond_p_t__edge_iterator(long, boolean) - Constructor for class org.RDKit.SWIGTYPE_p_boost__adjacency_listT_boost__vecS_boost__vecS_boost__undirectedS_RDKit__Atom_p_RDKit__Bond_p_t__edge_iterator
 
SWIGTYPE_p_boost__adjacency_listT_boost__vecS_boost__vecS_boost__undirectedS_RDKit__Atom_p_RDKit__Bond_p_t__edge_iterator() - Constructor for class org.RDKit.SWIGTYPE_p_boost__adjacency_listT_boost__vecS_boost__vecS_boost__undirectedS_RDKit__Atom_p_RDKit__Bond_p_t__edge_iterator
 
SWIGTYPE_p_boost__detail__sp_typeinfo - Class in org.RDKit
 
SWIGTYPE_p_boost__detail__sp_typeinfo(long, boolean) - Constructor for class org.RDKit.SWIGTYPE_p_boost__detail__sp_typeinfo
 
SWIGTYPE_p_boost__detail__sp_typeinfo() - Constructor for class org.RDKit.SWIGTYPE_p_boost__detail__sp_typeinfo
 
SWIGTYPE_p_boost__dynamic_bitsetT_t - Class in org.RDKit
 
SWIGTYPE_p_boost__dynamic_bitsetT_t(long, boolean) - Constructor for class org.RDKit.SWIGTYPE_p_boost__dynamic_bitsetT_t
 
SWIGTYPE_p_boost__dynamic_bitsetT_t() - Constructor for class org.RDKit.SWIGTYPE_p_boost__dynamic_bitsetT_t
 
SWIGTYPE_p_boost__shared_ptrT_DistGeom__BoundsMatrix_const_t - Class in org.RDKit
 
SWIGTYPE_p_boost__shared_ptrT_DistGeom__BoundsMatrix_const_t(long, boolean) - Constructor for class org.RDKit.SWIGTYPE_p_boost__shared_ptrT_DistGeom__BoundsMatrix_const_t
 
SWIGTYPE_p_boost__shared_ptrT_DistGeom__BoundsMatrix_const_t() - Constructor for class org.RDKit.SWIGTYPE_p_boost__shared_ptrT_DistGeom__BoundsMatrix_const_t
 
SWIGTYPE_p_boost__shared_ptrT_DistGeom__BoundsMatrix_t - Class in org.RDKit
 
SWIGTYPE_p_boost__shared_ptrT_DistGeom__BoundsMatrix_t(long, boolean) - Constructor for class org.RDKit.SWIGTYPE_p_boost__shared_ptrT_DistGeom__BoundsMatrix_t
 
SWIGTYPE_p_boost__shared_ptrT_DistGeom__BoundsMatrix_t() - Constructor for class org.RDKit.SWIGTYPE_p_boost__shared_ptrT_DistGeom__BoundsMatrix_t
 
SWIGTYPE_p_boost__shared_ptrT_RDKit__FilterMatcherBase_t - Class in org.RDKit
 
SWIGTYPE_p_boost__shared_ptrT_RDKit__FilterMatcherBase_t(long, boolean) - Constructor for class org.RDKit.SWIGTYPE_p_boost__shared_ptrT_RDKit__FilterMatcherBase_t
 
SWIGTYPE_p_boost__shared_ptrT_RDKit__FilterMatcherBase_t() - Constructor for class org.RDKit.SWIGTYPE_p_boost__shared_ptrT_RDKit__FilterMatcherBase_t
 
SWIGTYPE_p_boost__tupleT_double_double_double_double_t - Class in org.RDKit
 
SWIGTYPE_p_boost__tupleT_double_double_double_double_t(long, boolean) - Constructor for class org.RDKit.SWIGTYPE_p_boost__tupleT_double_double_double_double_t
 
SWIGTYPE_p_boost__tupleT_double_double_double_double_t() - Constructor for class org.RDKit.SWIGTYPE_p_boost__tupleT_double_double_double_double_t
 
SWIGTYPE_p_double - Class in org.RDKit
 
SWIGTYPE_p_double(long, boolean) - Constructor for class org.RDKit.SWIGTYPE_p_double
 
SWIGTYPE_p_double() - Constructor for class org.RDKit.SWIGTYPE_p_double
 
SWIGTYPE_p_f_p_q_const__RDKit__Atom__bool - Class in org.RDKit
 
SWIGTYPE_p_f_p_q_const__RDKit__Atom__bool(long, boolean) - Constructor for class org.RDKit.SWIGTYPE_p_f_p_q_const__RDKit__Atom__bool
 
SWIGTYPE_p_f_p_q_const__RDKit__Atom__bool() - Constructor for class org.RDKit.SWIGTYPE_p_f_p_q_const__RDKit__Atom__bool
 
SWIGTYPE_p_f_p_q_const__RDKit__Atom__int - Class in org.RDKit
 
SWIGTYPE_p_f_p_q_const__RDKit__Atom__int(long, boolean) - Constructor for class org.RDKit.SWIGTYPE_p_f_p_q_const__RDKit__Atom__int
 
SWIGTYPE_p_f_p_q_const__RDKit__Atom__int() - Constructor for class org.RDKit.SWIGTYPE_p_f_p_q_const__RDKit__Atom__int
 
SWIGTYPE_p_f_p_RDKit__Atom__bool - Class in org.RDKit
 
SWIGTYPE_p_f_p_RDKit__Atom__bool(long, boolean) - Constructor for class org.RDKit.SWIGTYPE_p_f_p_RDKit__Atom__bool
 
SWIGTYPE_p_f_p_RDKit__Atom__bool() - Constructor for class org.RDKit.SWIGTYPE_p_f_p_RDKit__Atom__bool
 
SWIGTYPE_p_f_r_RDKit__RWMol__int - Class in org.RDKit
 
SWIGTYPE_p_f_r_RDKit__RWMol__int(long, boolean) - Constructor for class org.RDKit.SWIGTYPE_p_f_r_RDKit__RWMol__int
 
SWIGTYPE_p_f_r_RDKit__RWMol__int() - Constructor for class org.RDKit.SWIGTYPE_p_f_r_RDKit__RWMol__int
 
SWIGTYPE_p_ForceFields__CrystalFF__CrystalFFDetails - Class in org.RDKit
 
SWIGTYPE_p_ForceFields__CrystalFF__CrystalFFDetails(long, boolean) - Constructor for class org.RDKit.SWIGTYPE_p_ForceFields__CrystalFF__CrystalFFDetails
 
SWIGTYPE_p_ForceFields__CrystalFF__CrystalFFDetails() - Constructor for class org.RDKit.SWIGTYPE_p_ForceFields__CrystalFF__CrystalFFDetails
 
SWIGTYPE_p_int - Class in org.RDKit
 
SWIGTYPE_p_int(long, boolean) - Constructor for class org.RDKit.SWIGTYPE_p_int
 
SWIGTYPE_p_int() - Constructor for class org.RDKit.SWIGTYPE_p_int
 
SWIGTYPE_p_p_double - Class in org.RDKit
 
SWIGTYPE_p_p_double(long, boolean) - Constructor for class org.RDKit.SWIGTYPE_p_p_double
 
SWIGTYPE_p_p_double() - Constructor for class org.RDKit.SWIGTYPE_p_p_double
 
SWIGTYPE_p_Queries__EqualityQueryT_int_RDKit__Atom_const_p_true_t - Class in org.RDKit
 
SWIGTYPE_p_Queries__EqualityQueryT_int_RDKit__Atom_const_p_true_t(long, boolean) - Constructor for class org.RDKit.SWIGTYPE_p_Queries__EqualityQueryT_int_RDKit__Atom_const_p_true_t
 
SWIGTYPE_p_Queries__EqualityQueryT_int_RDKit__Atom_const_p_true_t() - Constructor for class org.RDKit.SWIGTYPE_p_Queries__EqualityQueryT_int_RDKit__Atom_const_p_true_t
 
SWIGTYPE_p_Queries__EqualityQueryT_int_RDKit__Bond_const_p_true_t - Class in org.RDKit
 
SWIGTYPE_p_Queries__EqualityQueryT_int_RDKit__Bond_const_p_true_t(long, boolean) - Constructor for class org.RDKit.SWIGTYPE_p_Queries__EqualityQueryT_int_RDKit__Bond_const_p_true_t
 
SWIGTYPE_p_Queries__EqualityQueryT_int_RDKit__Bond_const_p_true_t() - Constructor for class org.RDKit.SWIGTYPE_p_Queries__EqualityQueryT_int_RDKit__Bond_const_p_true_t
 
SWIGTYPE_p_Queries__OrQueryT_int_RDKit__Atom_const_p_true_t - Class in org.RDKit
 
SWIGTYPE_p_Queries__OrQueryT_int_RDKit__Atom_const_p_true_t(long, boolean) - Constructor for class org.RDKit.SWIGTYPE_p_Queries__OrQueryT_int_RDKit__Atom_const_p_true_t
 
SWIGTYPE_p_Queries__OrQueryT_int_RDKit__Atom_const_p_true_t() - Constructor for class org.RDKit.SWIGTYPE_p_Queries__OrQueryT_int_RDKit__Atom_const_p_true_t
 
SWIGTYPE_p_Queries__QueryT_int_RDKit__Atom_const_p_true_t - Class in org.RDKit
 
SWIGTYPE_p_Queries__QueryT_int_RDKit__Atom_const_p_true_t(long, boolean) - Constructor for class org.RDKit.SWIGTYPE_p_Queries__QueryT_int_RDKit__Atom_const_p_true_t
 
SWIGTYPE_p_Queries__QueryT_int_RDKit__Atom_const_p_true_t() - Constructor for class org.RDKit.SWIGTYPE_p_Queries__QueryT_int_RDKit__Atom_const_p_true_t
 
SWIGTYPE_p_Queries__QueryT_int_RDKit__Bond_const_p_true_t - Class in org.RDKit
 
SWIGTYPE_p_Queries__QueryT_int_RDKit__Bond_const_p_true_t(long, boolean) - Constructor for class org.RDKit.SWIGTYPE_p_Queries__QueryT_int_RDKit__Bond_const_p_true_t
 
SWIGTYPE_p_Queries__QueryT_int_RDKit__Bond_const_p_true_t() - Constructor for class org.RDKit.SWIGTYPE_p_Queries__QueryT_int_RDKit__Bond_const_p_true_t
 
SWIGTYPE_p_Queries__RangeQueryT_int_RDKit__Atom_const_p_true_t - Class in org.RDKit
 
SWIGTYPE_p_Queries__RangeQueryT_int_RDKit__Atom_const_p_true_t(long, boolean) - Constructor for class org.RDKit.SWIGTYPE_p_Queries__RangeQueryT_int_RDKit__Atom_const_p_true_t
 
SWIGTYPE_p_Queries__RangeQueryT_int_RDKit__Atom_const_p_true_t() - Constructor for class org.RDKit.SWIGTYPE_p_Queries__RangeQueryT_int_RDKit__Atom_const_p_true_t
 
SWIGTYPE_p_RDDepict__DOUBLE_SMART_PTR - Class in org.RDKit
 
SWIGTYPE_p_RDDepict__DOUBLE_SMART_PTR(long, boolean) - Constructor for class org.RDKit.SWIGTYPE_p_RDDepict__DOUBLE_SMART_PTR
 
SWIGTYPE_p_RDDepict__DOUBLE_SMART_PTR() - Constructor for class org.RDKit.SWIGTYPE_p_RDDepict__DOUBLE_SMART_PTR
 
SWIGTYPE_p_RDKit__CXXAtomIteratorT_boost__adjacency_listT_boost__vecS_boost__vecS_boost__undirectedS_RDKit__Atom_p_RDKit__Bond_p_t_RDKit__Atom_p_t - Class in org.RDKit
 
SWIGTYPE_p_RDKit__CXXAtomIteratorT_boost__adjacency_listT_boost__vecS_boost__vecS_boost__undirectedS_RDKit__Atom_p_RDKit__Bond_p_t_RDKit__Atom_p_t(long, boolean) - Constructor for class org.RDKit.SWIGTYPE_p_RDKit__CXXAtomIteratorT_boost__adjacency_listT_boost__vecS_boost__vecS_boost__undirectedS_RDKit__Atom_p_RDKit__Bond_p_t_RDKit__Atom_p_t
 
SWIGTYPE_p_RDKit__CXXAtomIteratorT_boost__adjacency_listT_boost__vecS_boost__vecS_boost__undirectedS_RDKit__Atom_p_RDKit__Bond_p_t_RDKit__Atom_p_t() - Constructor for class org.RDKit.SWIGTYPE_p_RDKit__CXXAtomIteratorT_boost__adjacency_listT_boost__vecS_boost__vecS_boost__undirectedS_RDKit__Atom_p_RDKit__Bond_p_t_RDKit__Atom_p_t
 
SWIGTYPE_p_RDKit__CXXBondIteratorT_boost__adjacency_listT_boost__vecS_boost__vecS_boost__undirectedS_RDKit__Atom_p_RDKit__Bond_p_t_RDKit__Bond_p_t - Class in org.RDKit
 
SWIGTYPE_p_RDKit__CXXBondIteratorT_boost__adjacency_listT_boost__vecS_boost__vecS_boost__undirectedS_RDKit__Atom_p_RDKit__Bond_p_t_RDKit__Bond_p_t(long, boolean) - Constructor for class org.RDKit.SWIGTYPE_p_RDKit__CXXBondIteratorT_boost__adjacency_listT_boost__vecS_boost__vecS_boost__undirectedS_RDKit__Atom_p_RDKit__Bond_p_t_RDKit__Bond_p_t
 
SWIGTYPE_p_RDKit__CXXBondIteratorT_boost__adjacency_listT_boost__vecS_boost__vecS_boost__undirectedS_RDKit__Atom_p_RDKit__Bond_p_t_RDKit__Bond_p_t() - Constructor for class org.RDKit.SWIGTYPE_p_RDKit__CXXBondIteratorT_boost__adjacency_listT_boost__vecS_boost__vecS_boost__undirectedS_RDKit__Atom_p_RDKit__Bond_p_t_RDKit__Bond_p_t
 
SWIGTYPE_p_RDKit__double_source_type - Class in org.RDKit
 
SWIGTYPE_p_RDKit__double_source_type(long, boolean) - Constructor for class org.RDKit.SWIGTYPE_p_RDKit__double_source_type
 
SWIGTYPE_p_RDKit__double_source_type() - Constructor for class org.RDKit.SWIGTYPE_p_RDKit__double_source_type
 
SWIGTYPE_p_RDKit__MatchingAtomIterator_T_RDKit__Atom_const_RDKit__ROMol_const_t - Class in org.RDKit
 
SWIGTYPE_p_RDKit__MatchingAtomIterator_T_RDKit__Atom_const_RDKit__ROMol_const_t(long, boolean) - Constructor for class org.RDKit.SWIGTYPE_p_RDKit__MatchingAtomIterator_T_RDKit__Atom_const_RDKit__ROMol_const_t
 
SWIGTYPE_p_RDKit__MatchingAtomIterator_T_RDKit__Atom_const_RDKit__ROMol_const_t() - Constructor for class org.RDKit.SWIGTYPE_p_RDKit__MatchingAtomIterator_T_RDKit__Atom_const_RDKit__ROMol_const_t
 
SWIGTYPE_p_RDKit__MatchingAtomIterator_T_RDKit__Atom_RDKit__ROMol_t - Class in org.RDKit
 
SWIGTYPE_p_RDKit__MatchingAtomIterator_T_RDKit__Atom_RDKit__ROMol_t(long, boolean) - Constructor for class org.RDKit.SWIGTYPE_p_RDKit__MatchingAtomIterator_T_RDKit__Atom_RDKit__ROMol_t
 
SWIGTYPE_p_RDKit__MatchingAtomIterator_T_RDKit__Atom_RDKit__ROMol_t() - Constructor for class org.RDKit.SWIGTYPE_p_RDKit__MatchingAtomIterator_T_RDKit__Atom_RDKit__ROMol_t
 
SWIGTYPE_p_RDKit__MCSParameters - Class in org.RDKit
 
SWIGTYPE_p_RDKit__MCSParameters(long, boolean) - Constructor for class org.RDKit.SWIGTYPE_p_RDKit__MCSParameters
 
SWIGTYPE_p_RDKit__MCSParameters() - Constructor for class org.RDKit.SWIGTYPE_p_RDKit__MCSParameters
 
SWIGTYPE_p_RDKit__MolDraw2D__TextDrawType - Class in org.RDKit
 
SWIGTYPE_p_RDKit__MolDraw2D__TextDrawType(long, boolean) - Constructor for class org.RDKit.SWIGTYPE_p_RDKit__MolDraw2D__TextDrawType
 
SWIGTYPE_p_RDKit__MolDraw2D__TextDrawType() - Constructor for class org.RDKit.SWIGTYPE_p_RDKit__MolDraw2D__TextDrawType
 
SWIGTYPE_p_RDKit__SparseIntVectT_unsigned_long_long_t - Class in org.RDKit
 
SWIGTYPE_p_RDKit__SparseIntVectT_unsigned_long_long_t(long, boolean) - Constructor for class org.RDKit.SWIGTYPE_p_RDKit__SparseIntVectT_unsigned_long_long_t
 
SWIGTYPE_p_RDKit__SparseIntVectT_unsigned_long_long_t() - Constructor for class org.RDKit.SWIGTYPE_p_RDKit__SparseIntVectT_unsigned_long_long_t
 
SWIGTYPE_p_RDNumeric__VectorT_double_t - Class in org.RDKit
 
SWIGTYPE_p_RDNumeric__VectorT_double_t(long, boolean) - Constructor for class org.RDKit.SWIGTYPE_p_RDNumeric__VectorT_double_t
 
SWIGTYPE_p_RDNumeric__VectorT_double_t() - Constructor for class org.RDKit.SWIGTYPE_p_RDNumeric__VectorT_double_t
 
SWIGTYPE_p_RDNumeric__VectorT_int_t - Class in org.RDKit
 
SWIGTYPE_p_RDNumeric__VectorT_int_t(long, boolean) - Constructor for class org.RDKit.SWIGTYPE_p_RDNumeric__VectorT_int_t
 
SWIGTYPE_p_RDNumeric__VectorT_int_t() - Constructor for class org.RDKit.SWIGTYPE_p_RDNumeric__VectorT_int_t
 
SWIGTYPE_p_SparseBitVect - Class in org.RDKit
 
SWIGTYPE_p_SparseBitVect(long, boolean) - Constructor for class org.RDKit.SWIGTYPE_p_SparseBitVect
 
SWIGTYPE_p_SparseBitVect() - Constructor for class org.RDKit.SWIGTYPE_p_SparseBitVect
 
SWIGTYPE_p_std__istream - Class in org.RDKit
 
SWIGTYPE_p_std__istream(long, boolean) - Constructor for class org.RDKit.SWIGTYPE_p_std__istream
 
SWIGTYPE_p_std__istream() - Constructor for class org.RDKit.SWIGTYPE_p_std__istream
 
SWIGTYPE_p_std__listT_boost__shared_ptrT_RDKit__Conformer_t_t__iterator - Class in org.RDKit
 
SWIGTYPE_p_std__listT_boost__shared_ptrT_RDKit__Conformer_t_t__iterator(long, boolean) - Constructor for class org.RDKit.SWIGTYPE_p_std__listT_boost__shared_ptrT_RDKit__Conformer_t_t__iterator
 
SWIGTYPE_p_std__listT_boost__shared_ptrT_RDKit__Conformer_t_t__iterator() - Constructor for class org.RDKit.SWIGTYPE_p_std__listT_boost__shared_ptrT_RDKit__Conformer_t_t__iterator
 
SWIGTYPE_p_std__listT_RDKit__Atom_p_t - Class in org.RDKit
 
SWIGTYPE_p_std__listT_RDKit__Atom_p_t(long, boolean) - Constructor for class org.RDKit.SWIGTYPE_p_std__listT_RDKit__Atom_p_t
 
SWIGTYPE_p_std__listT_RDKit__Atom_p_t() - Constructor for class org.RDKit.SWIGTYPE_p_std__listT_RDKit__Atom_p_t
 
SWIGTYPE_p_std__listT_RDKit__Bond_p_t - Class in org.RDKit
 
SWIGTYPE_p_std__listT_RDKit__Bond_p_t(long, boolean) - Constructor for class org.RDKit.SWIGTYPE_p_std__listT_RDKit__Bond_p_t
 
SWIGTYPE_p_std__listT_RDKit__Bond_p_t() - Constructor for class org.RDKit.SWIGTYPE_p_std__listT_RDKit__Bond_p_t
 
SWIGTYPE_p_std__mapT_int_std__listT_RDKit__Atom_p_t_t - Class in org.RDKit
 
SWIGTYPE_p_std__mapT_int_std__listT_RDKit__Atom_p_t_t(long, boolean) - Constructor for class org.RDKit.SWIGTYPE_p_std__mapT_int_std__listT_RDKit__Atom_p_t_t
 
SWIGTYPE_p_std__mapT_int_std__listT_RDKit__Atom_p_t_t() - Constructor for class org.RDKit.SWIGTYPE_p_std__mapT_int_std__listT_RDKit__Atom_p_t_t
 
SWIGTYPE_p_std__mapT_int_std__listT_RDKit__Bond_p_t_t - Class in org.RDKit
 
SWIGTYPE_p_std__mapT_int_std__listT_RDKit__Bond_p_t_t(long, boolean) - Constructor for class org.RDKit.SWIGTYPE_p_std__mapT_int_std__listT_RDKit__Bond_p_t_t
 
SWIGTYPE_p_std__mapT_int_std__listT_RDKit__Bond_p_t_t() - Constructor for class org.RDKit.SWIGTYPE_p_std__mapT_int_std__listT_RDKit__Bond_p_t_t
 
SWIGTYPE_p_std__mapT_long_long_int_t - Class in org.RDKit
 
SWIGTYPE_p_std__mapT_long_long_int_t(long, boolean) - Constructor for class org.RDKit.SWIGTYPE_p_std__mapT_long_long_int_t
 
SWIGTYPE_p_std__mapT_long_long_int_t() - Constructor for class org.RDKit.SWIGTYPE_p_std__mapT_long_long_int_t
 
SWIGTYPE_p_std__mapT_std__pairT_boost__int32_t_int_t_double_t - Class in org.RDKit
 
SWIGTYPE_p_std__mapT_std__pairT_boost__int32_t_int_t_double_t(long, boolean) - Constructor for class org.RDKit.SWIGTYPE_p_std__mapT_std__pairT_boost__int32_t_int_t_double_t
 
SWIGTYPE_p_std__mapT_std__pairT_boost__int32_t_int_t_double_t() - Constructor for class org.RDKit.SWIGTYPE_p_std__mapT_std__pairT_boost__int32_t_int_t_double_t
 
SWIGTYPE_p_std__mapT_unsigned_int_int_t - Class in org.RDKit
 
SWIGTYPE_p_std__mapT_unsigned_int_int_t(long, boolean) - Constructor for class org.RDKit.SWIGTYPE_p_std__mapT_unsigned_int_int_t
 
SWIGTYPE_p_std__mapT_unsigned_int_int_t() - Constructor for class org.RDKit.SWIGTYPE_p_std__mapT_unsigned_int_int_t
 
SWIGTYPE_p_std__mapT_unsigned_int_std__pairT_double_double_t_t - Class in org.RDKit
 
SWIGTYPE_p_std__mapT_unsigned_int_std__pairT_double_double_t_t(long, boolean) - Constructor for class org.RDKit.SWIGTYPE_p_std__mapT_unsigned_int_std__pairT_double_double_t_t
 
SWIGTYPE_p_std__mapT_unsigned_int_std__pairT_double_double_t_t() - Constructor for class org.RDKit.SWIGTYPE_p_std__mapT_unsigned_int_std__pairT_double_double_t_t
 
SWIGTYPE_p_std__mapT_unsigned_int_std__vectorT_std__vectorT_int_t_t_t - Class in org.RDKit
 
SWIGTYPE_p_std__mapT_unsigned_int_std__vectorT_std__vectorT_int_t_t_t(long, boolean) - Constructor for class org.RDKit.SWIGTYPE_p_std__mapT_unsigned_int_std__vectorT_std__vectorT_int_t_t_t
 
SWIGTYPE_p_std__mapT_unsigned_int_std__vectorT_std__vectorT_int_t_t_t() - Constructor for class org.RDKit.SWIGTYPE_p_std__mapT_unsigned_int_std__vectorT_std__vectorT_int_t_t_t
 
SWIGTYPE_p_std__mapT_unsigned_long_long_std__vectorT_std__vectorT_int_t_t_t - Class in org.RDKit
 
SWIGTYPE_p_std__mapT_unsigned_long_long_std__vectorT_std__vectorT_int_t_t_t(long, boolean) - Constructor for class org.RDKit.SWIGTYPE_p_std__mapT_unsigned_long_long_std__vectorT_std__vectorT_int_t_t_t
 
SWIGTYPE_p_std__mapT_unsigned_long_long_std__vectorT_std__vectorT_int_t_t_t() - Constructor for class org.RDKit.SWIGTYPE_p_std__mapT_unsigned_long_long_std__vectorT_std__vectorT_int_t_t_t
 
SWIGTYPE_p_std__ostream - Class in org.RDKit
 
SWIGTYPE_p_std__ostream(long, boolean) - Constructor for class org.RDKit.SWIGTYPE_p_std__ostream
 
SWIGTYPE_p_std__ostream() - Constructor for class org.RDKit.SWIGTYPE_p_std__ostream
 
SWIGTYPE_p_std__string - Class in org.RDKit
 
SWIGTYPE_p_std__string(long, boolean) - Constructor for class org.RDKit.SWIGTYPE_p_std__string
 
SWIGTYPE_p_std__string() - Constructor for class org.RDKit.SWIGTYPE_p_std__string
 
SWIGTYPE_p_std__vectorT_boost__shared_ptrT_DistGeom__ChiralSet_t_t - Class in org.RDKit
 
SWIGTYPE_p_std__vectorT_boost__shared_ptrT_DistGeom__ChiralSet_t_t(long, boolean) - Constructor for class org.RDKit.SWIGTYPE_p_std__vectorT_boost__shared_ptrT_DistGeom__ChiralSet_t_t
 
SWIGTYPE_p_std__vectorT_boost__shared_ptrT_DistGeom__ChiralSet_t_t() - Constructor for class org.RDKit.SWIGTYPE_p_std__vectorT_boost__shared_ptrT_DistGeom__ChiralSet_t_t
 
SWIGTYPE_p_std__vectorT_boost__shared_ptrT_RDKit__FilterCatalogEntry_const_t_t - Class in org.RDKit
 
SWIGTYPE_p_std__vectorT_boost__shared_ptrT_RDKit__FilterCatalogEntry_const_t_t(long, boolean) - Constructor for class org.RDKit.SWIGTYPE_p_std__vectorT_boost__shared_ptrT_RDKit__FilterCatalogEntry_const_t_t
 
SWIGTYPE_p_std__vectorT_boost__shared_ptrT_RDKit__FilterCatalogEntry_const_t_t() - Constructor for class org.RDKit.SWIGTYPE_p_std__vectorT_boost__shared_ptrT_RDKit__FilterCatalogEntry_const_t_t
 
SWIGTYPE_p_std__vectorT_boost__shared_ptrT_RDKit__ROMol_t_t__const_iterator - Class in org.RDKit
 
SWIGTYPE_p_std__vectorT_boost__shared_ptrT_RDKit__ROMol_t_t__const_iterator(long, boolean) - Constructor for class org.RDKit.SWIGTYPE_p_std__vectorT_boost__shared_ptrT_RDKit__ROMol_t_t__const_iterator
 
SWIGTYPE_p_std__vectorT_boost__shared_ptrT_RDKit__ROMol_t_t__const_iterator() - Constructor for class org.RDKit.SWIGTYPE_p_std__vectorT_boost__shared_ptrT_RDKit__ROMol_t_t__const_iterator
 
SWIGTYPE_p_std__vectorT_ExplicitBitVect_p_t - Class in org.RDKit
 
SWIGTYPE_p_std__vectorT_ExplicitBitVect_p_t(long, boolean) - Constructor for class org.RDKit.SWIGTYPE_p_std__vectorT_ExplicitBitVect_p_t
 
SWIGTYPE_p_std__vectorT_ExplicitBitVect_p_t() - Constructor for class org.RDKit.SWIGTYPE_p_std__vectorT_ExplicitBitVect_p_t
 
SWIGTYPE_p_std__vectorT_RDGeom__Point2D_t - Class in org.RDKit
 
SWIGTYPE_p_std__vectorT_RDGeom__Point2D_t(long, boolean) - Constructor for class org.RDKit.SWIGTYPE_p_std__vectorT_RDGeom__Point2D_t
 
SWIGTYPE_p_std__vectorT_RDGeom__Point2D_t() - Constructor for class org.RDKit.SWIGTYPE_p_std__vectorT_RDGeom__Point2D_t
 
SWIGTYPE_p_std__vectorT_RDGeom__Point3D_t - Class in org.RDKit
 
SWIGTYPE_p_std__vectorT_RDGeom__Point3D_t(long, boolean) - Constructor for class org.RDKit.SWIGTYPE_p_std__vectorT_RDGeom__Point3D_t
 
SWIGTYPE_p_std__vectorT_RDGeom__Point3D_t() - Constructor for class org.RDKit.SWIGTYPE_p_std__vectorT_RDGeom__Point3D_t
 
SWIGTYPE_p_std__vectorT_RDKit__Bond_const_p_t - Class in org.RDKit
 
SWIGTYPE_p_std__vectorT_RDKit__Bond_const_p_t(long, boolean) - Constructor for class org.RDKit.SWIGTYPE_p_std__vectorT_RDKit__Bond_const_p_t
 
SWIGTYPE_p_std__vectorT_RDKit__Bond_const_p_t() - Constructor for class org.RDKit.SWIGTYPE_p_std__vectorT_RDKit__Bond_const_p_t
 
SWIGTYPE_p_std__vectorT_RDKit__Canon__AtomColors_t - Class in org.RDKit
 
SWIGTYPE_p_std__vectorT_RDKit__Canon__AtomColors_t(long, boolean) - Constructor for class org.RDKit.SWIGTYPE_p_std__vectorT_RDKit__Canon__AtomColors_t
 
SWIGTYPE_p_std__vectorT_RDKit__Canon__AtomColors_t() - Constructor for class org.RDKit.SWIGTYPE_p_std__vectorT_RDKit__Canon__AtomColors_t
 
SWIGTYPE_p_std__vectorT_RDKit__Canon__MolStackElem_t - Class in org.RDKit
 
SWIGTYPE_p_std__vectorT_RDKit__Canon__MolStackElem_t(long, boolean) - Constructor for class org.RDKit.SWIGTYPE_p_std__vectorT_RDKit__Canon__MolStackElem_t
 
SWIGTYPE_p_std__vectorT_RDKit__Canon__MolStackElem_t() - Constructor for class org.RDKit.SWIGTYPE_p_std__vectorT_RDKit__Canon__MolStackElem_t
 
SWIGTYPE_p_std__vectorT_RDKit__Dict__Pair_t - Class in org.RDKit
 
SWIGTYPE_p_std__vectorT_RDKit__Dict__Pair_t(long, boolean) - Constructor for class org.RDKit.SWIGTYPE_p_std__vectorT_RDKit__Dict__Pair_t
 
SWIGTYPE_p_std__vectorT_RDKit__Dict__Pair_t() - Constructor for class org.RDKit.SWIGTYPE_p_std__vectorT_RDKit__Dict__Pair_t
 
SWIGTYPE_p_std__vectorT_RDKit__DrawColour_t - Class in org.RDKit
 
SWIGTYPE_p_std__vectorT_RDKit__DrawColour_t(long, boolean) - Constructor for class org.RDKit.SWIGTYPE_p_std__vectorT_RDKit__DrawColour_t
 
SWIGTYPE_p_std__vectorT_RDKit__DrawColour_t() - Constructor for class org.RDKit.SWIGTYPE_p_std__vectorT_RDKit__DrawColour_t
 
SWIGTYPE_p_std__vectorT_RDKit__FilterCatalogParams__FilterCatalogs_t - Class in org.RDKit
 
SWIGTYPE_p_std__vectorT_RDKit__FilterCatalogParams__FilterCatalogs_t(long, boolean) - Constructor for class org.RDKit.SWIGTYPE_p_std__vectorT_RDKit__FilterCatalogParams__FilterCatalogs_t
 
SWIGTYPE_p_std__vectorT_RDKit__FilterCatalogParams__FilterCatalogs_t() - Constructor for class org.RDKit.SWIGTYPE_p_std__vectorT_RDKit__FilterCatalogParams__FilterCatalogs_t
 
SWIGTYPE_p_std__vectorT_RDKit__ROMol_const_p_t - Class in org.RDKit
 
SWIGTYPE_p_std__vectorT_RDKit__ROMol_const_p_t(long, boolean) - Constructor for class org.RDKit.SWIGTYPE_p_std__vectorT_RDKit__ROMol_const_p_t
 
SWIGTYPE_p_std__vectorT_RDKit__ROMol_const_p_t() - Constructor for class org.RDKit.SWIGTYPE_p_std__vectorT_RDKit__ROMol_const_p_t
 
SWIGTYPE_p_std__vectorT_RDKit__ROMol_p_t - Class in org.RDKit
 
SWIGTYPE_p_std__vectorT_RDKit__ROMol_p_t(long, boolean) - Constructor for class org.RDKit.SWIGTYPE_p_std__vectorT_RDKit__ROMol_p_t
 
SWIGTYPE_p_std__vectorT_RDKit__ROMol_p_t() - Constructor for class org.RDKit.SWIGTYPE_p_std__vectorT_RDKit__ROMol_p_t
 
SWIGTYPE_p_std__vectorT_RDKit__RWMol_p_t - Class in org.RDKit
 
SWIGTYPE_p_std__vectorT_RDKit__RWMol_p_t(long, boolean) - Constructor for class org.RDKit.SWIGTYPE_p_std__vectorT_RDKit__RWMol_p_t
 
SWIGTYPE_p_std__vectorT_RDKit__RWMol_p_t() - Constructor for class org.RDKit.SWIGTYPE_p_std__vectorT_RDKit__RWMol_p_t
 
SWIGTYPE_p_std__vectorT_RDKit__Snapshot_t - Class in org.RDKit
 
SWIGTYPE_p_std__vectorT_RDKit__Snapshot_t(long, boolean) - Constructor for class org.RDKit.SWIGTYPE_p_std__vectorT_RDKit__Snapshot_t
 
SWIGTYPE_p_std__vectorT_RDKit__Snapshot_t() - Constructor for class org.RDKit.SWIGTYPE_p_std__vectorT_RDKit__Snapshot_t
 
SWIGTYPE_p_std__vectorT_short_t - Class in org.RDKit
 
SWIGTYPE_p_std__vectorT_short_t(long, boolean) - Constructor for class org.RDKit.SWIGTYPE_p_std__vectorT_short_t
 
SWIGTYPE_p_std__vectorT_short_t() - Constructor for class org.RDKit.SWIGTYPE_p_std__vectorT_short_t
 
SWIGTYPE_p_std__vectorT_std__mapT_int_double_t_t - Class in org.RDKit
 
SWIGTYPE_p_std__vectorT_std__mapT_int_double_t_t(long, boolean) - Constructor for class org.RDKit.SWIGTYPE_p_std__vectorT_std__mapT_int_double_t_t
 
SWIGTYPE_p_std__vectorT_std__mapT_int_double_t_t() - Constructor for class org.RDKit.SWIGTYPE_p_std__vectorT_std__mapT_int_double_t_t
 
SWIGTYPE_p_std__vectorT_std__mapT_int_RDKit__DrawColour_t_t - Class in org.RDKit
 
SWIGTYPE_p_std__vectorT_std__mapT_int_RDKit__DrawColour_t_t(long, boolean) - Constructor for class org.RDKit.SWIGTYPE_p_std__vectorT_std__mapT_int_RDKit__DrawColour_t_t
 
SWIGTYPE_p_std__vectorT_std__mapT_int_RDKit__DrawColour_t_t() - Constructor for class org.RDKit.SWIGTYPE_p_std__vectorT_std__mapT_int_RDKit__DrawColour_t_t
 
SWIGTYPE_p_std__vectorT_std__pairT_std__string_RDKit__MolDraw2D__OrientType_t_t - Class in org.RDKit
 
SWIGTYPE_p_std__vectorT_std__pairT_std__string_RDKit__MolDraw2D__OrientType_t_t(long, boolean) - Constructor for class org.RDKit.SWIGTYPE_p_std__vectorT_std__pairT_std__string_RDKit__MolDraw2D__OrientType_t_t
 
SWIGTYPE_p_std__vectorT_std__pairT_std__string_RDKit__MolDraw2D__OrientType_t_t() - Constructor for class org.RDKit.SWIGTYPE_p_std__vectorT_std__pairT_std__string_RDKit__MolDraw2D__OrientType_t_t
 
SWIGTYPE_p_std__vectorT_std__pairT_unsigned_int_std__string_t_t - Class in org.RDKit
 
SWIGTYPE_p_std__vectorT_std__pairT_unsigned_int_std__string_t_t(long, boolean) - Constructor for class org.RDKit.SWIGTYPE_p_std__vectorT_std__pairT_unsigned_int_std__string_t_t
 
SWIGTYPE_p_std__vectorT_std__pairT_unsigned_int_std__string_t_t() - Constructor for class org.RDKit.SWIGTYPE_p_std__vectorT_std__pairT_unsigned_int_std__string_t_t
 
SWIGTYPE_p_std__vectorT_std__streampos_t - Class in org.RDKit
 
SWIGTYPE_p_std__vectorT_std__streampos_t(long, boolean) - Constructor for class org.RDKit.SWIGTYPE_p_std__vectorT_std__streampos_t
 
SWIGTYPE_p_std__vectorT_std__streampos_t() - Constructor for class org.RDKit.SWIGTYPE_p_std__vectorT_std__streampos_t
 
SWIGTYPE_p_std__vectorT_std__vectorT_boost__uint32_t_t_t - Class in org.RDKit
 
SWIGTYPE_p_std__vectorT_std__vectorT_boost__uint32_t_t_t(long, boolean) - Constructor for class org.RDKit.SWIGTYPE_p_std__vectorT_std__vectorT_boost__uint32_t_t_t
 
SWIGTYPE_p_std__vectorT_std__vectorT_boost__uint32_t_t_t() - Constructor for class org.RDKit.SWIGTYPE_p_std__vectorT_std__vectorT_boost__uint32_t_t_t
 
SWIGTYPE_p_std__vectorT_std__vectorT_std__pairT_unsigned_int_std__string_t_t_t - Class in org.RDKit
 
SWIGTYPE_p_std__vectorT_std__vectorT_std__pairT_unsigned_int_std__string_t_t_t(long, boolean) - Constructor for class org.RDKit.SWIGTYPE_p_std__vectorT_std__vectorT_std__pairT_unsigned_int_std__string_t_t_t
 
SWIGTYPE_p_std__vectorT_std__vectorT_std__pairT_unsigned_int_std__string_t_t_t() - Constructor for class org.RDKit.SWIGTYPE_p_std__vectorT_std__vectorT_std__pairT_unsigned_int_std__string_t_t_t
 
SWIGTYPE_p_std__vectorT_std__vectorT_unsigned_long_long_t_t - Class in org.RDKit
 
SWIGTYPE_p_std__vectorT_std__vectorT_unsigned_long_long_t_t(long, boolean) - Constructor for class org.RDKit.SWIGTYPE_p_std__vectorT_std__vectorT_unsigned_long_long_t_t
 
SWIGTYPE_p_std__vectorT_std__vectorT_unsigned_long_long_t_t() - Constructor for class org.RDKit.SWIGTYPE_p_std__vectorT_std__vectorT_unsigned_long_long_t_t
 
SWIGTYPE_p_unsigned_char - Class in org.RDKit
 
SWIGTYPE_p_unsigned_char(long, boolean) - Constructor for class org.RDKit.SWIGTYPE_p_unsigned_char
 
SWIGTYPE_p_unsigned_char() - Constructor for class org.RDKit.SWIGTYPE_p_unsigned_char
 
SWIGTYPE_p_unsigned_int - Class in org.RDKit
 
SWIGTYPE_p_unsigned_int(long, boolean) - Constructor for class org.RDKit.SWIGTYPE_p_unsigned_int
 
SWIGTYPE_p_unsigned_int() - Constructor for class org.RDKit.SWIGTYPE_p_unsigned_int
 
SWIGTYPE_p_void - Class in org.RDKit
 
SWIGTYPE_p_void(long, boolean) - Constructor for class org.RDKit.SWIGTYPE_p_void
 
SWIGTYPE_p_void() - Constructor for class org.RDKit.SWIGTYPE_p_void
 
swigValue() - Method in enum org.RDKit.AdjustQueryWhichFlags
 
swigValue() - Method in enum org.RDKit.AromaticityModel
 
swigValue() - Method in enum org.RDKit.Atom.ChiralType
 
swigValue() - Method in enum org.RDKit.Atom.HybridizationType
 
swigValue() - Method in enum org.RDKit.AtomColors
 
swigValue() - Method in enum org.RDKit.AtomComparator
 
swigValue() - Method in enum org.RDKit.AtomMonomerInfo.AtomMonomerType
 
swigValue() - Method in enum org.RDKit.AxisType
 
swigValue() - Method in enum org.RDKit.Bond.BondDir
 
swigValue() - Method in enum org.RDKit.Bond.BondStereo
 
swigValue() - Method in enum org.RDKit.Bond.BondType
 
swigValue() - Method in enum org.RDKit.BondComparator
 
swigValue() - Method in enum org.RDKit.CompositeQueryType
 
swigValue() - Method in enum org.RDKit.FilterCatalogParams.FilterCatalogs
 
swigValue() - Method in enum org.RDKit.FingerprintType
 
swigValue() - Method in enum org.RDKit.HashFunction
 
swigValue() - Method in enum org.RDKit.Mol2Type
 
swigValue() - Method in enum org.RDKit.MolDraw2D.OrientType
 
swigValue() - Method in enum org.RDKit.MolDraw2D.TextDrawType
 
swigValue() - Method in enum org.RDKit.MolStackTypes
 
swigValue() - Method in enum org.RDKit.NumRotatableBondsOptions
 
swigValue() - Method in class org.RDKit.PropertyPickleOptions
 
swigValue() - Method in enum org.RDKit.ResonanceMolSupplier.ResonanceFlags
 
swigValue() - Method in enum org.RDKit.RGroupCoreAlignment
 
swigValue() - Method in enum org.RDKit.RGroupLabelling
 
swigValue() - Method in enum org.RDKit.RGroupLabels
 
swigValue() - Method in enum org.RDKit.RGroupMatching
 
swigValue() - Method in enum org.RDKit.RingComparator
 
swigValue() - Method in enum org.RDKit.SanitizeFlags
 
swigValue() - Method in class org.RDKit.StereoGroupType
 
swigValue() - Method in enum org.RDKit.StripType
 
Symbol() - Method in class org.RDKit.atomicData
 
symmetrizeSSSR(ROMol, Int_Vect_Vect) - Static method in class org.RDKit.RDKFuncs
 
symmetrizeSSSR(ROMol) - Static method in class org.RDKit.RDKFuncs
This is an overloaded member function, provided for convenience.
symmetrizeSSSR(Int_Vect_Vect) - Method in class org.RDKit.ROMol
 
symmetrizeSSSR() - Method in class org.RDKit.ROMol
 
symmetrizeSSSR__SWIG_0(long, ROMol, long, Int_Vect_Vect) - Static method in class org.RDKit.RDKFuncsJNI
 
symmetrizeSSSR__SWIG_1(long, ROMol) - Static method in class org.RDKit.RDKFuncsJNI
 

T

tagAtoms(ROMol) - Method in class org.RDKit.MolDraw2D
 
tagAtoms(ROMol) - Method in class org.RDKit.MolDraw2DSVG
 
tagAtoms(ROMol, double, String_String_Map) - Method in class org.RDKit.MolDraw2DSVG
 
tagAtoms(ROMol, double) - Method in class org.RDKit.MolDraw2DSVG
 
TanimotoSimilarity(ExplicitBitVect, ExplicitBitVect) - Static method in class org.RDKit.RDKFuncs
 
TanimotoSimilarity(long, ExplicitBitVect, long, ExplicitBitVect) - Static method in class org.RDKit.RDKFuncsJNI
 
TanimotoSimilarityEBV(ExplicitBitVect, ExplicitBitVect) - Static method in class org.RDKit.RDKFuncs
 
TanimotoSimilarityEBV(long, ExplicitBitVect, long, ExplicitBitVect) - Static method in class org.RDKit.RDKFuncsJNI
 
TanimotoSimilaritySIVi32(SparseIntVect32, SparseIntVect32, boolean, double) - Static method in class org.RDKit.RDKFuncs
 
TanimotoSimilaritySIVi32(SparseIntVect32, SparseIntVect32, boolean) - Static method in class org.RDKit.RDKFuncs
 
TanimotoSimilaritySIVi32(SparseIntVect32, SparseIntVect32) - Static method in class org.RDKit.RDKFuncs
 
TanimotoSimilaritySIVi32__SWIG_0(long, SparseIntVect32, long, SparseIntVect32, boolean, double) - Static method in class org.RDKit.RDKFuncsJNI
 
TanimotoSimilaritySIVi32__SWIG_1(long, SparseIntVect32, long, SparseIntVect32, boolean) - Static method in class org.RDKit.RDKFuncsJNI
 
TanimotoSimilaritySIVi32__SWIG_2(long, SparseIntVect32, long, SparseIntVect32) - Static method in class org.RDKit.RDKFuncsJNI
 
TanimotoSimilaritySIVi64(SparseIntVect64, SparseIntVect64, boolean, double) - Static method in class org.RDKit.RDKFuncs
 
TanimotoSimilaritySIVi64(SparseIntVect64, SparseIntVect64, boolean) - Static method in class org.RDKit.RDKFuncs
 
TanimotoSimilaritySIVi64(SparseIntVect64, SparseIntVect64) - Static method in class org.RDKit.RDKFuncs
 
TanimotoSimilaritySIVi64__SWIG_0(long, SparseIntVect64, long, SparseIntVect64, boolean, double) - Static method in class org.RDKit.RDKFuncsJNI
 
TanimotoSimilaritySIVi64__SWIG_1(long, SparseIntVect64, long, SparseIntVect64, boolean) - Static method in class org.RDKit.RDKFuncsJNI
 
TanimotoSimilaritySIVi64__SWIG_2(long, SparseIntVect64, long, SparseIntVect64) - Static method in class org.RDKit.RDKFuncsJNI
 
TanimotoSimilaritySIVu32(SparseIntVectu32, SparseIntVectu32, boolean, double) - Static method in class org.RDKit.RDKFuncs
 
TanimotoSimilaritySIVu32(SparseIntVectu32, SparseIntVectu32, boolean) - Static method in class org.RDKit.RDKFuncs
 
TanimotoSimilaritySIVu32(SparseIntVectu32, SparseIntVectu32) - Static method in class org.RDKit.RDKFuncs
 
TanimotoSimilaritySIVu32__SWIG_0(long, SparseIntVectu32, long, SparseIntVectu32, boolean, double) - Static method in class org.RDKit.RDKFuncsJNI
 
TanimotoSimilaritySIVu32__SWIG_1(long, SparseIntVectu32, long, SparseIntVectu32, boolean) - Static method in class org.RDKit.RDKFuncsJNI
 
TanimotoSimilaritySIVu32__SWIG_2(long, SparseIntVectu32, long, SparseIntVectu32) - Static method in class org.RDKit.RDKFuncsJNI
 
tautomerParent(RWMol, CleanupParameters) - Static method in class org.RDKit.RDKFuncs
 
tautomerParent(RWMol) - Static method in class org.RDKit.RDKFuncs
 
tautomerParent__SWIG_0(long, RWMol, long, CleanupParameters) - Static method in class org.RDKit.RDKFuncsJNI
 
tautomerParent__SWIG_1(long, RWMol) - Static method in class org.RDKit.RDKFuncsJNI
 
TDTMolSupplier - Class in org.RDKit
lazy file parser for TDT files
TDTMolSupplier(long, boolean) - Constructor for class org.RDKit.TDTMolSupplier
 
TDTMolSupplier(String, String, int, int, boolean) - Constructor for class org.RDKit.TDTMolSupplier
TDTMolSupplier(String, String, int, int) - Constructor for class org.RDKit.TDTMolSupplier
TDTMolSupplier(String, String, int) - Constructor for class org.RDKit.TDTMolSupplier
TDTMolSupplier(String, String) - Constructor for class org.RDKit.TDTMolSupplier
TDTMolSupplier(String) - Constructor for class org.RDKit.TDTMolSupplier
TDTMolSupplier(SWIGTYPE_p_std__istream, boolean, String, int, int, boolean) - Constructor for class org.RDKit.TDTMolSupplier
 
TDTMolSupplier(SWIGTYPE_p_std__istream, boolean, String, int, int) - Constructor for class org.RDKit.TDTMolSupplier
 
TDTMolSupplier(SWIGTYPE_p_std__istream, boolean, String, int) - Constructor for class org.RDKit.TDTMolSupplier
 
TDTMolSupplier(SWIGTYPE_p_std__istream, boolean, String) - Constructor for class org.RDKit.TDTMolSupplier
 
TDTMolSupplier(SWIGTYPE_p_std__istream, boolean) - Constructor for class org.RDKit.TDTMolSupplier
 
TDTMolSupplier(SWIGTYPE_p_std__istream) - Constructor for class org.RDKit.TDTMolSupplier
 
TDTMolSupplier() - Constructor for class org.RDKit.TDTMolSupplier
 
TDTMolSupplier_atEnd(long, TDTMolSupplier) - Static method in class org.RDKit.RDKFuncsJNI
 
TDTMolSupplier_getItemText(long, TDTMolSupplier, long) - Static method in class org.RDKit.RDKFuncsJNI
 
TDTMolSupplier_init(long, TDTMolSupplier) - Static method in class org.RDKit.RDKFuncsJNI
 
TDTMolSupplier_length(long, TDTMolSupplier) - Static method in class org.RDKit.RDKFuncsJNI
 
TDTMolSupplier_moveTo(long, TDTMolSupplier, long) - Static method in class org.RDKit.RDKFuncsJNI
 
TDTMolSupplier_next(long, TDTMolSupplier) - Static method in class org.RDKit.RDKFuncsJNI
 
TDTMolSupplier_reset(long, TDTMolSupplier) - Static method in class org.RDKit.RDKFuncsJNI
 
TDTMolSupplier_setData__SWIG_0(long, TDTMolSupplier, String, String, int, int, boolean) - Static method in class org.RDKit.RDKFuncsJNI
 
TDTMolSupplier_setData__SWIG_1(long, TDTMolSupplier, String, String, int, int) - Static method in class org.RDKit.RDKFuncsJNI
 
TDTMolSupplier_setData__SWIG_2(long, TDTMolSupplier, String, String, int) - Static method in class org.RDKit.RDKFuncsJNI
 
TDTMolSupplier_setData__SWIG_3(long, TDTMolSupplier, String, String) - Static method in class org.RDKit.RDKFuncsJNI
 
TDTMolSupplier_setData__SWIG_4(long, TDTMolSupplier, String) - Static method in class org.RDKit.RDKFuncsJNI
 
TDTMolSupplier_SWIGUpcast(long) - Static method in class org.RDKit.RDKFuncsJNI
 
TDTWriter - Class in org.RDKit
The TDTWriter is for writing molecules and properties to TDT files
TDTWriter(long, boolean) - Constructor for class org.RDKit.TDTWriter
 
TDTWriter(String) - Constructor for class org.RDKit.TDTWriter
 
TDTWriter(SWIGTYPE_p_std__ostream, boolean) - Constructor for class org.RDKit.TDTWriter
 
TDTWriter(SWIGTYPE_p_std__ostream) - Constructor for class org.RDKit.TDTWriter
 
TDTWriter_close(long, TDTWriter) - Static method in class org.RDKit.RDKFuncsJNI
 
TDTWriter_flush(long, TDTWriter) - Static method in class org.RDKit.RDKFuncsJNI
 
TDTWriter_getNumDigits(long, TDTWriter) - Static method in class org.RDKit.RDKFuncsJNI
 
TDTWriter_getWrite2D(long, TDTWriter) - Static method in class org.RDKit.RDKFuncsJNI
 
TDTWriter_getWriteNames(long, TDTWriter) - Static method in class org.RDKit.RDKFuncsJNI
 
TDTWriter_numMols(long, TDTWriter) - Static method in class org.RDKit.RDKFuncsJNI
 
TDTWriter_setNumDigits(long, TDTWriter, long) - Static method in class org.RDKit.RDKFuncsJNI
 
TDTWriter_setProps(long, TDTWriter, long, Str_Vect) - Static method in class org.RDKit.RDKFuncsJNI
 
TDTWriter_setWrite2D__SWIG_0(long, TDTWriter, boolean) - Static method in class org.RDKit.RDKFuncsJNI
 
TDTWriter_setWrite2D__SWIG_1(long, TDTWriter) - Static method in class org.RDKit.RDKFuncsJNI
 
TDTWriter_setWriteNames__SWIG_0(long, TDTWriter, boolean) - Static method in class org.RDKit.RDKFuncsJNI
 
TDTWriter_setWriteNames__SWIG_1(long, TDTWriter) - Static method in class org.RDKit.RDKFuncsJNI
 
TDTWriter_SWIGUpcast(long) - Static method in class org.RDKit.RDKFuncsJNI
 
TDTWriter_write__SWIG_0(long, TDTWriter, long, ROMol, int) - Static method in class org.RDKit.RDKFuncsJNI
 
TDTWriter_write__SWIG_1(long, TDTWriter, long, ROMol) - Static method in class org.RDKit.RDKFuncsJNI
 
ToBinary() - Method in class org.RDKit.ChemicalReaction
 
ToBinary() - Method in class org.RDKit.ROMol
 
toByteArray() - Method in class org.RDKit.ExplicitBitVect
 
TorsionAngleContrib - Class in org.RDKit
 
TorsionAngleContrib(long, boolean) - Constructor for class org.RDKit.TorsionAngleContrib
 
TorsionAngleContrib() - Constructor for class org.RDKit.TorsionAngleContrib
 
TorsionAngleContrib(ForceField, long, long, long, long, double, int, int, Atom.HybridizationType, Atom.HybridizationType, AtomicParams, AtomicParams, boolean) - Constructor for class org.RDKit.TorsionAngleContrib
 
TorsionAngleContrib(ForceField, long, long, long, long, double, int, int, Atom.HybridizationType, Atom.HybridizationType, AtomicParams, AtomicParams) - Constructor for class org.RDKit.TorsionAngleContrib
 
TorsionAngleContrib_copy(long, TorsionAngleContrib) - Static method in class org.RDKit.RDKFuncsJNI
 
TorsionAngleContrib_getEnergy(long, TorsionAngleContrib, long) - Static method in class org.RDKit.RDKFuncsJNI
 
TorsionAngleContrib_getGrad(long, TorsionAngleContrib, long, long) - Static method in class org.RDKit.RDKFuncsJNI
 
TorsionAngleContrib_scaleForceConstant(long, TorsionAngleContrib, long) - Static method in class org.RDKit.RDKFuncsJNI
 
TorsionAngleContrib_SWIGSmartPtrUpcast(long) - Static method in class org.RDKit.RDKFuncsJNI
 
toStream(SWIGTYPE_p_std__ostream) - Method in class org.RDKit.CatalogParams
 
toStream(SWIGTYPE_p_std__ostream) - Method in class org.RDKit.FilterCatalogEntry
 
toStream(SWIGTYPE_p_std__ostream) - Method in class org.RDKit.FilterCatalogParams
 
toStream(SWIGTYPE_p_std__ostream) - Method in class org.RDKit.SubstructLibrary
 
toString() - Method in class org.RDKit.BitVect
 
toString() - Method in class org.RDKit.ExplicitBitVect
 
toString() - Method in class org.RDKit.PropertyPickleOptions
 
toString() - Method in class org.RDKit.SparseIntVect32
 
toString() - Method in class org.RDKit.SparseIntVect64
 
toString() - Method in class org.RDKit.SparseIntVectu32
 
toString() - Method in class org.RDKit.StereoGroupType
 
ToSVG(Int_Vect, int, int) - Method in class org.RDKit.ROMol
 
ToSVG(Int_Vect, int) - Method in class org.RDKit.ROMol
 
ToSVG(Int_Vect) - Method in class org.RDKit.ROMol
 
ToSVG(int, int) - Method in class org.RDKit.ROMol
 
ToSVG(int) - Method in class org.RDKit.ROMol
 
ToSVG() - Method in class org.RDKit.ROMol
 
TPLDataStreamToMol(SWIGTYPE_p_std__istream, SWIGTYPE_p_unsigned_int, boolean, boolean) - Static method in class org.RDKit.RDKFuncs
 
TPLDataStreamToMol(SWIGTYPE_p_std__istream, SWIGTYPE_p_unsigned_int, boolean) - Static method in class org.RDKit.RDKFuncs
 
TPLDataStreamToMol(SWIGTYPE_p_std__istream, SWIGTYPE_p_unsigned_int) - Static method in class org.RDKit.RDKFuncs
 
TPLDataStreamToMol__SWIG_0(long, long, boolean, boolean) - Static method in class org.RDKit.RDKFuncsJNI
 
TPLDataStreamToMol__SWIG_1(long, long, boolean) - Static method in class org.RDKit.RDKFuncsJNI
 
TPLDataStreamToMol__SWIG_2(long, long) - Static method in class org.RDKit.RDKFuncsJNI
 
TPLFileToMol(String, boolean, boolean) - Static method in class org.RDKit.RDKFuncs
 
TPLFileToMol(String, boolean) - Static method in class org.RDKit.RDKFuncs
 
TPLFileToMol(String) - Static method in class org.RDKit.RDKFuncs
 
TPLFileToMol__SWIG_0(String, boolean, boolean) - Static method in class org.RDKit.RDKFuncsJNI
 
TPLFileToMol__SWIG_1(String, boolean) - Static method in class org.RDKit.RDKFuncsJNI
 
TPLFileToMol__SWIG_2(String) - Static method in class org.RDKit.RDKFuncsJNI
 
tpsaVersion_get() - Static method in class org.RDKit.RDKFuncsJNI
 
trajectory() - Method in class org.RDKit.Snapshot
 
Trajectory - Class in org.RDKit
 
Trajectory(long, boolean) - Constructor for class org.RDKit.Trajectory
 
Trajectory(long, long, SWIGTYPE_p_std__vectorT_RDKit__Snapshot_t) - Constructor for class org.RDKit.Trajectory
 
Trajectory(long, long) - Constructor for class org.RDKit.Trajectory
 
Trajectory(Trajectory) - Constructor for class org.RDKit.Trajectory
 
Trajectory_addConformersToMol__SWIG_0(long, Trajectory, long, ROMol, int, int) - Static method in class org.RDKit.RDKFuncsJNI
 
Trajectory_addConformersToMol__SWIG_1(long, Trajectory, long, ROMol, int) - Static method in class org.RDKit.RDKFuncsJNI
 
Trajectory_addConformersToMol__SWIG_2(long, Trajectory, long, ROMol) - Static method in class org.RDKit.RDKFuncsJNI
 
Trajectory_addSnapshot(long, Trajectory, long, Snapshot) - Static method in class org.RDKit.RDKFuncsJNI
 
Trajectory_clear(long, Trajectory) - Static method in class org.RDKit.RDKFuncsJNI
 
Trajectory_dimension(long, Trajectory) - Static method in class org.RDKit.RDKFuncsJNI
 
Trajectory_getSnapshot(long, Trajectory, long) - Static method in class org.RDKit.RDKFuncsJNI
 
Trajectory_insertSnapshot(long, Trajectory, long, long, Snapshot) - Static method in class org.RDKit.RDKFuncsJNI
 
Trajectory_numPoints(long, Trajectory) - Static method in class org.RDKit.RDKFuncsJNI
 
Trajectory_removeSnapshot(long, Trajectory, long) - Static method in class org.RDKit.RDKFuncsJNI
 
Trajectory_size(long, Trajectory) - Static method in class org.RDKit.RDKFuncsJNI
 
Transform2D - Class in org.RDKit
 
Transform2D(long, boolean) - Constructor for class org.RDKit.Transform2D
 
Transform2D() - Constructor for class org.RDKit.Transform2D
Constructor.
Transform2D_setToIdentity(long, Transform2D) - Static method in class org.RDKit.RDKFuncsJNI
 
Transform2D_SetTransform__SWIG_0(long, Transform2D, long, Point2D, long, Point2D, long, Point2D, long, Point2D) - Static method in class org.RDKit.RDKFuncsJNI
 
Transform2D_SetTransform__SWIG_1(long, Transform2D, long, Point2D, double) - Static method in class org.RDKit.RDKFuncsJNI
 
Transform2D_SetTranslation(long, Transform2D, long, Point2D) - Static method in class org.RDKit.RDKFuncsJNI
 
Transform2D_SWIGUpcast(long) - Static method in class org.RDKit.RDKFuncsJNI
 
Transform2D_TransformPoint(long, Transform2D, long, Point2D) - Static method in class org.RDKit.RDKFuncsJNI
 
Transform3D - Class in org.RDKit
 
Transform3D(long, boolean) - Constructor for class org.RDKit.Transform3D
 
Transform3D() - Constructor for class org.RDKit.Transform3D
Constructor.
Transform3D_Reflect(long, Transform3D) - Static method in class org.RDKit.RDKFuncsJNI
 
Transform3D_SetRotation__SWIG_0(long, Transform3D, double, int) - Static method in class org.RDKit.RDKFuncsJNI
 
Transform3D_SetRotation__SWIG_1(long, Transform3D, double, long, Point3D) - Static method in class org.RDKit.RDKFuncsJNI
 
Transform3D_SetRotation__SWIG_2(long, Transform3D, double, double, long, Point3D) - Static method in class org.RDKit.RDKFuncsJNI
 
Transform3D_SetRotationFromQuaternion(long, Transform3D, long) - Static method in class org.RDKit.RDKFuncsJNI
 
Transform3D_setToIdentity(long, Transform3D) - Static method in class org.RDKit.RDKFuncsJNI
 
Transform3D_SetTranslation(long, Transform3D, long, Point3D) - Static method in class org.RDKit.RDKFuncsJNI
 
Transform3D_SWIGUpcast(long) - Static method in class org.RDKit.RDKFuncsJNI
 
Transform3D_TransformPoint(long, Transform3D, long, Point3D) - Static method in class org.RDKit.RDKFuncsJNI
 
transformAtom(Transform3D) - Method in class org.RDKit.Atom
 
transformAtom(Atom, Transform3D) - Static method in class org.RDKit.RDKFuncs
 
transformAtom(long, Atom, long, Transform3D) - Static method in class org.RDKit.RDKFuncsJNI
 
transformConformer(Transform3D) - Method in class org.RDKit.Conformer
 
transformConformer(Conformer, Transform3D) - Static method in class org.RDKit.RDKFuncs
 
transformConformer(long, Conformer, long, Transform3D) - Static method in class org.RDKit.RDKFuncsJNI
 
transformMolsAtoms(ROMol, Transform3D) - Static method in class org.RDKit.RDKFuncs
 
transformMolsAtoms(long, ROMol, long, Transform3D) - Static method in class org.RDKit.RDKFuncsJNI
 
transformMolsAtoms(Transform3D) - Method in class org.RDKit.ROMol
 
TransformPoint(Point2D) - Method in class org.RDKit.Transform2D
 
TransformPoint(Point3D) - Method in class org.RDKit.Transform3D
 
transpose(DoubleMatrix) - Method in class org.RDKit.DoubleMatrix
 
transpose(DoubleSymmMatrix) - Method in class org.RDKit.DoubleSymmMatrix
 
transpose(IntMatrix) - Method in class org.RDKit.IntMatrix
 
transpose(IntSymmMatrix) - Method in class org.RDKit.IntSymmMatrix
 
transposeInplace() - Method in class org.RDKit.DoubleSquareMatrix
 
transposeInplace() - Method in class org.RDKit.DoubleSymmMatrix
 
transposeInplace() - Method in class org.RDKit.IntSymmMatrix
 
triangleSmoothBounds(BoundsMatrix, double) - Static method in class org.RDKit.RDKFuncs
 
triangleSmoothBounds(BoundsMatrix) - Static method in class org.RDKit.RDKFuncs
 
triangleSmoothBounds(SWIGTYPE_p_boost__shared_ptrT_DistGeom__BoundsMatrix_t, double) - Static method in class org.RDKit.RDKFuncs
 
triangleSmoothBounds(SWIGTYPE_p_boost__shared_ptrT_DistGeom__BoundsMatrix_t) - Static method in class org.RDKit.RDKFuncs
 
triangleSmoothBounds__SWIG_0(long, BoundsMatrix, double) - Static method in class org.RDKit.RDKFuncsJNI
 
triangleSmoothBounds__SWIG_1(long, BoundsMatrix) - Static method in class org.RDKit.RDKFuncsJNI
 
triangleSmoothBounds__SWIG_2(long, double) - Static method in class org.RDKit.RDKFuncsJNI
 
triangleSmoothBounds__SWIG_3(long) - Static method in class org.RDKit.RDKFuncsJNI
 
TverskySimilarity(ExplicitBitVect, ExplicitBitVect, double, double) - Static method in class org.RDKit.RDKFuncs
 
TverskySimilarity(SparseIntVectu32, SparseIntVectu32, double, double, boolean, double) - Static method in class org.RDKit.RDKFuncs
 
TverskySimilarity(SparseIntVectu32, SparseIntVectu32, double, double, boolean) - Static method in class org.RDKit.RDKFuncs
 
TverskySimilarity(SparseIntVectu32, SparseIntVectu32, double, double) - Static method in class org.RDKit.RDKFuncs
 
TverskySimilarity(SparseIntVect32, SparseIntVect32, double, double, boolean, double) - Static method in class org.RDKit.RDKFuncs
 
TverskySimilarity(SparseIntVect32, SparseIntVect32, double, double, boolean) - Static method in class org.RDKit.RDKFuncs
 
TverskySimilarity(SparseIntVect32, SparseIntVect32, double, double) - Static method in class org.RDKit.RDKFuncs
 
TverskySimilarity(SparseIntVect64, SparseIntVect64, double, double, boolean, double) - Static method in class org.RDKit.RDKFuncs
 
TverskySimilarity(SparseIntVect64, SparseIntVect64, double, double, boolean) - Static method in class org.RDKit.RDKFuncs
 
TverskySimilarity(SparseIntVect64, SparseIntVect64, double, double) - Static method in class org.RDKit.RDKFuncs
 
TverskySimilarity(long, ExplicitBitVect, long, ExplicitBitVect, double, double) - Static method in class org.RDKit.RDKFuncsJNI
 
TverskySimilarity__SWIG_10(long, SparseIntVect64, long, SparseIntVect64, double, double, boolean) - Static method in class org.RDKit.RDKFuncsJNI
 
TverskySimilarity__SWIG_11(long, SparseIntVect64, long, SparseIntVect64, double, double) - Static method in class org.RDKit.RDKFuncsJNI
 
TverskySimilarity__SWIG_3(long, SparseIntVectu32, long, SparseIntVectu32, double, double, boolean, double) - Static method in class org.RDKit.RDKFuncsJNI
 
TverskySimilarity__SWIG_4(long, SparseIntVectu32, long, SparseIntVectu32, double, double, boolean) - Static method in class org.RDKit.RDKFuncsJNI
 
TverskySimilarity__SWIG_5(long, SparseIntVectu32, long, SparseIntVectu32, double, double) - Static method in class org.RDKit.RDKFuncsJNI
 
TverskySimilarity__SWIG_6(long, SparseIntVect32, long, SparseIntVect32, double, double, boolean, double) - Static method in class org.RDKit.RDKFuncsJNI
 
TverskySimilarity__SWIG_7(long, SparseIntVect32, long, SparseIntVect32, double, double, boolean) - Static method in class org.RDKit.RDKFuncsJNI
 
TverskySimilarity__SWIG_8(long, SparseIntVect32, long, SparseIntVect32, double, double) - Static method in class org.RDKit.RDKFuncsJNI
 
TverskySimilarity__SWIG_9(long, SparseIntVect64, long, SparseIntVect64, double, double, boolean, double) - Static method in class org.RDKit.RDKFuncsJNI
 
TWOD_get() - Static method in class org.RDKit.RDKFuncsJNI
 

U

UChar_Vect - Class in org.RDKit
 
UChar_Vect(long, boolean) - Constructor for class org.RDKit.UChar_Vect
 
UChar_Vect() - Constructor for class org.RDKit.UChar_Vect
 
UChar_Vect(long) - Constructor for class org.RDKit.UChar_Vect
 
UChar_Vect_add(long, UChar_Vect, short) - Static method in class org.RDKit.RDKFuncsJNI
 
UChar_Vect_capacity(long, UChar_Vect) - Static method in class org.RDKit.RDKFuncsJNI
 
UChar_Vect_clear(long, UChar_Vect) - Static method in class org.RDKit.RDKFuncsJNI
 
UChar_Vect_equals(long, UChar_Vect, long, UChar_Vect) - Static method in class org.RDKit.RDKFuncsJNI
 
UChar_Vect_get(long, UChar_Vect, int) - Static method in class org.RDKit.RDKFuncsJNI
 
UChar_Vect_isEmpty(long, UChar_Vect) - Static method in class org.RDKit.RDKFuncsJNI
 
UChar_Vect_reserve(long, UChar_Vect, long) - Static method in class org.RDKit.RDKFuncsJNI
 
UChar_Vect_set(long, UChar_Vect, int, short) - Static method in class org.RDKit.RDKFuncsJNI
 
UChar_Vect_size(long, UChar_Vect) - Static method in class org.RDKit.RDKFuncsJNI
 
UFFAddAtomChargeFlags(Atom, SWIGTYPE_p_std__string, boolean) - Static method in class org.RDKit.ForceField
 
UFFAddAtomChargeFlags(Atom, SWIGTYPE_p_std__string) - Static method in class org.RDKit.ForceField
 
UFFAngle - Class in org.RDKit
 
UFFAngle(long, boolean) - Constructor for class org.RDKit.UFFAngle
 
UFFAngle() - Constructor for class org.RDKit.UFFAngle
 
UFFAngle_ka_get(long, UFFAngle) - Static method in class org.RDKit.RDKFuncsJNI
 
UFFAngle_ka_set(long, UFFAngle, double) - Static method in class org.RDKit.RDKFuncsJNI
 
UFFAngle_theta0_get(long, UFFAngle) - Static method in class org.RDKit.RDKFuncsJNI
 
UFFAngle_theta0_set(long, UFFAngle, double) - Static method in class org.RDKit.RDKFuncsJNI
 
UFFBond - Class in org.RDKit
 
UFFBond(long, boolean) - Constructor for class org.RDKit.UFFBond
 
UFFBond() - Constructor for class org.RDKit.UFFBond
 
UFFBond_kb_get(long, UFFBond) - Static method in class org.RDKit.RDKFuncsJNI
 
UFFBond_kb_set(long, UFFBond, double) - Static method in class org.RDKit.RDKFuncsJNI
 
UFFBond_r0_get(long, UFFBond) - Static method in class org.RDKit.RDKFuncsJNI
 
UFFBond_r0_set(long, UFFBond, double) - Static method in class org.RDKit.RDKFuncsJNI
 
UFFGetAtomLabel(Atom) - Static method in class org.RDKit.ForceField
 
UFFGetAtomTypes(ROMol, String) - Static method in class org.RDKit.ForceField
 
UFFGetAtomTypes(ROMol) - Static method in class org.RDKit.ForceField
 
UFFGetMoleculeForceField(ROMol, double, int, boolean) - Static method in class org.RDKit.ForceField
 
UFFGetMoleculeForceField(ROMol, double, int) - Static method in class org.RDKit.ForceField
 
UFFGetMoleculeForceField(ROMol, double) - Static method in class org.RDKit.ForceField
 
UFFGetMoleculeForceField(ROMol) - Static method in class org.RDKit.ForceField
 
UFFHasAllMoleculeParams(ROMol) - Static method in class org.RDKit.ForceField
 
UFFInv - Class in org.RDKit
 
UFFInv(long, boolean) - Constructor for class org.RDKit.UFFInv
 
UFFInv() - Constructor for class org.RDKit.UFFInv
 
UFFInv_K_get(long, UFFInv) - Static method in class org.RDKit.RDKFuncsJNI
 
UFFInv_K_set(long, UFFInv, double) - Static method in class org.RDKit.RDKFuncsJNI
 
UFFOptimizeMolecule(ROMol, int, double, int, boolean) - Static method in class org.RDKit.ForceField
 
UFFOptimizeMolecule(ROMol, int, double, int) - Static method in class org.RDKit.ForceField
 
UFFOptimizeMolecule(ROMol, int, double) - Static method in class org.RDKit.ForceField
 
UFFOptimizeMolecule(ROMol, int) - Static method in class org.RDKit.ForceField
 
UFFOptimizeMolecule(ROMol) - Static method in class org.RDKit.ForceField
 
UFFTor - Class in org.RDKit
 
UFFTor(long, boolean) - Constructor for class org.RDKit.UFFTor
 
UFFTor() - Constructor for class org.RDKit.UFFTor
 
UFFTor_V_get(long, UFFTor) - Static method in class org.RDKit.RDKFuncsJNI
 
UFFTor_V_set(long, UFFTor, double) - Static method in class org.RDKit.RDKFuncsJNI
 
UFFVdW - Class in org.RDKit
 
UFFVdW(long, boolean) - Constructor for class org.RDKit.UFFVdW
 
UFFVdW() - Constructor for class org.RDKit.UFFVdW
 
UFFVdW_D_ij_get(long, UFFVdW) - Static method in class org.RDKit.RDKFuncsJNI
 
UFFVdW_D_ij_set(long, UFFVdW, double) - Static method in class org.RDKit.RDKFuncsJNI
 
UFFVdW_x_ij_get(long, UFFVdW) - Static method in class org.RDKit.RDKFuncsJNI
 
UFFVdW_x_ij_set(long, UFFVdW, double) - Static method in class org.RDKit.RDKFuncsJNI
 
UInt_List - Class in org.RDKit
 
UInt_List(long, boolean) - Constructor for class org.RDKit.UInt_List
 
UInt_List() - Constructor for class org.RDKit.UInt_List
 
UInt_List_add(long, UInt_List, long) - Static method in class org.RDKit.RDKFuncsJNI
 
UInt_List_clear(long, UInt_List) - Static method in class org.RDKit.RDKFuncsJNI
 
UInt_List_equals(long, UInt_List, long, UInt_List) - Static method in class org.RDKit.RDKFuncsJNI
 
UInt_List_get(long, UInt_List, int) - Static method in class org.RDKit.RDKFuncsJNI
 
UInt_List_isEmpty(long, UInt_List) - Static method in class org.RDKit.RDKFuncsJNI
 
UInt_List_size(long, UInt_List) - Static method in class org.RDKit.RDKFuncsJNI
 
UInt_Pair - Class in org.RDKit
 
UInt_Pair(long, boolean) - Constructor for class org.RDKit.UInt_Pair
 
UInt_Pair() - Constructor for class org.RDKit.UInt_Pair
 
UInt_Pair(long, int) - Constructor for class org.RDKit.UInt_Pair
 
UInt_Pair(UInt_Pair) - Constructor for class org.RDKit.UInt_Pair
 
UInt_Pair_first_get(long, UInt_Pair) - Static method in class org.RDKit.RDKFuncsJNI
 
UInt_Pair_first_set(long, UInt_Pair, long) - Static method in class org.RDKit.RDKFuncsJNI
 
UInt_Pair_second_get(long, UInt_Pair) - Static method in class org.RDKit.RDKFuncsJNI
 
UInt_Pair_second_set(long, UInt_Pair, int) - Static method in class org.RDKit.RDKFuncsJNI
 
UInt_Pair_Vect - Class in org.RDKit
 
UInt_Pair_Vect(long, boolean) - Constructor for class org.RDKit.UInt_Pair_Vect
 
UInt_Pair_Vect() - Constructor for class org.RDKit.UInt_Pair_Vect
 
UInt_Pair_Vect(long) - Constructor for class org.RDKit.UInt_Pair_Vect
 
UInt_Pair_Vect_add(long, UInt_Pair_Vect, long, UInt_Pair) - Static method in class org.RDKit.RDKFuncsJNI
 
UInt_Pair_Vect_capacity(long, UInt_Pair_Vect) - Static method in class org.RDKit.RDKFuncsJNI
 
UInt_Pair_Vect_clear(long, UInt_Pair_Vect) - Static method in class org.RDKit.RDKFuncsJNI
 
UInt_Pair_Vect_equals(long, UInt_Pair_Vect, long, UInt_Pair_Vect) - Static method in class org.RDKit.RDKFuncsJNI
 
UInt_Pair_Vect_get(long, UInt_Pair_Vect, int) - Static method in class org.RDKit.RDKFuncsJNI
 
UInt_Pair_Vect_isEmpty(long, UInt_Pair_Vect) - Static method in class org.RDKit.RDKFuncsJNI
 
UInt_Pair_Vect_reserve(long, UInt_Pair_Vect, long) - Static method in class org.RDKit.RDKFuncsJNI
 
UInt_Pair_Vect_set(long, UInt_Pair_Vect, int, long, UInt_Pair) - Static method in class org.RDKit.RDKFuncsJNI
 
UInt_Pair_Vect_size(long, UInt_Pair_Vect) - Static method in class org.RDKit.RDKFuncsJNI
 
UInt_Vect - Class in org.RDKit
 
UInt_Vect(long, boolean) - Constructor for class org.RDKit.UInt_Vect
 
UInt_Vect() - Constructor for class org.RDKit.UInt_Vect
 
UInt_Vect(long) - Constructor for class org.RDKit.UInt_Vect
 
UInt_Vect_add(long, UInt_Vect, long) - Static method in class org.RDKit.RDKFuncsJNI
 
UInt_Vect_capacity(long, UInt_Vect) - Static method in class org.RDKit.RDKFuncsJNI
 
UInt_Vect_clear(long, UInt_Vect) - Static method in class org.RDKit.RDKFuncsJNI
 
UInt_Vect_equals(long, UInt_Vect, long, UInt_Vect) - Static method in class org.RDKit.RDKFuncsJNI
 
UInt_Vect_get(long, UInt_Vect, int) - Static method in class org.RDKit.RDKFuncsJNI
 
UInt_Vect_isEmpty(long, UInt_Vect) - Static method in class org.RDKit.RDKFuncsJNI
 
UInt_Vect_reserve(long, UInt_Vect, long) - Static method in class org.RDKit.RDKFuncsJNI
 
UInt_Vect_set(long, UInt_Vect, int, long) - Static method in class org.RDKit.RDKFuncsJNI
 
UInt_Vect_size(long, UInt_Vect) - Static method in class org.RDKit.RDKFuncsJNI
 
UIntMolMap - Class in org.RDKit
 
UIntMolMap(long, boolean) - Constructor for class org.RDKit.UIntMolMap
 
UIntMolMap() - Constructor for class org.RDKit.UIntMolMap
 
UIntMolMap(UIntMolMap) - Constructor for class org.RDKit.UIntMolMap
 
UIntMolMap_clear(long, UIntMolMap) - Static method in class org.RDKit.RDKFuncsJNI
 
UIntMolMap_del(long, UIntMolMap, long) - Static method in class org.RDKit.RDKFuncsJNI
 
UIntMolMap_empty(long, UIntMolMap) - Static method in class org.RDKit.RDKFuncsJNI
 
UIntMolMap_get(long, UIntMolMap, long) - Static method in class org.RDKit.RDKFuncsJNI
 
UIntMolMap_has_key(long, UIntMolMap, long) - Static method in class org.RDKit.RDKFuncsJNI
 
UIntMolMap_set(long, UIntMolMap, long, long, ROMol) - Static method in class org.RDKit.RDKFuncsJNI
 
UIntMolMap_size(long, UIntMolMap) - Static method in class org.RDKit.RDKFuncsJNI
 
UIntPair - Class in org.RDKit
 
UIntPair(long, boolean) - Constructor for class org.RDKit.UIntPair
 
UIntPair() - Constructor for class org.RDKit.UIntPair
 
UIntPair(long, long) - Constructor for class org.RDKit.UIntPair
 
UIntPair(UIntPair) - Constructor for class org.RDKit.UIntPair
 
UIntPair_first_get(long, UIntPair) - Static method in class org.RDKit.RDKFuncsJNI
 
UIntPair_first_set(long, UIntPair, long) - Static method in class org.RDKit.RDKFuncsJNI
 
UIntPair_second_get(long, UIntPair) - Static method in class org.RDKit.RDKFuncsJNI
 
UIntPair_second_set(long, UIntPair, long) - Static method in class org.RDKit.RDKFuncsJNI
 
UIntPairVect - Class in org.RDKit
 
UIntPairVect(long, boolean) - Constructor for class org.RDKit.UIntPairVect
 
UIntPairVect() - Constructor for class org.RDKit.UIntPairVect
 
UIntPairVect(long) - Constructor for class org.RDKit.UIntPairVect
 
UIntPairVect_add(long, UIntPairVect, long, UIntPair) - Static method in class org.RDKit.RDKFuncsJNI
 
UIntPairVect_capacity(long, UIntPairVect) - Static method in class org.RDKit.RDKFuncsJNI
 
UIntPairVect_clear(long, UIntPairVect) - Static method in class org.RDKit.RDKFuncsJNI
 
UIntPairVect_equals(long, UIntPairVect, long, UIntPairVect) - Static method in class org.RDKit.RDKFuncsJNI
 
UIntPairVect_get(long, UIntPairVect, int) - Static method in class org.RDKit.RDKFuncsJNI
 
UIntPairVect_isEmpty(long, UIntPairVect) - Static method in class org.RDKit.RDKFuncsJNI
 
UIntPairVect_reserve(long, UIntPairVect, long) - Static method in class org.RDKit.RDKFuncsJNI
 
UIntPairVect_set(long, UIntPairVect, int, long, UIntPair) - Static method in class org.RDKit.RDKFuncsJNI
 
UIntPairVect_size(long, UIntPairVect) - Static method in class org.RDKit.RDKFuncsJNI
 
Union(Int_Vect, Int_Vect, Int_Vect) - Static method in class org.RDKit.RDKFuncs
 
Union(Int_Vect_Vect, Int_Vect, Int_Vect) - Static method in class org.RDKit.RDKFuncs
 
Union(Int_Vect_Vect, Int_Vect) - Static method in class org.RDKit.RDKFuncs
 
Union__SWIG_0(long, Int_Vect, long, Int_Vect, long, Int_Vect) - Static method in class org.RDKit.RDKFuncsJNI
 
Union__SWIG_1(long, Int_Vect_Vect, long, Int_Vect, long, Int_Vect) - Static method in class org.RDKit.RDKFuncsJNI
 
Union__SWIG_2(long, Int_Vect_Vect, long, Int_Vect) - Static method in class org.RDKit.RDKFuncsJNI
 
unique() - Method in class org.RDKit.Shared_Double_Array
 
unique() - Method in class org.RDKit.Shared_Int_Array
 
uniquifyPaths(ROMol, Int_Vect_List, boolean) - Static method in class org.RDKit.RDKFuncs
 
uniquifyPaths(ROMol, Int_Vect_List) - Static method in class org.RDKit.RDKFuncs
 
uniquifyPaths__SWIG_0(long, ROMol, long, Int_Vect_List, boolean) - Static method in class org.RDKit.RDKFuncsJNI
 
uniquifyPaths__SWIG_1(long, ROMol, long, Int_Vect_List) - Static method in class org.RDKit.RDKFuncsJNI
 
unsetBit(long) - Method in class org.RDKit.BitVect
 
unsetBit(long) - Method in class org.RDKit.ExplicitBitVect
 
update(Dict, boolean) - Method in class org.RDKit.Dict
 
update(Dict) - Method in class org.RDKit.Dict
 
UpdateBitVectFromFPSText(ExplicitBitVect, String) - Static method in class org.RDKit.RDKFuncs
 
UpdateBitVectFromFPSText(long, ExplicitBitVect, String) - Static method in class org.RDKit.RDKFuncsJNI
 
updateDrawerParamsFromJSON(MolDraw2D, String) - Static method in class org.RDKit.RDKFuncs
 
updateDrawerParamsFromJSON__SWIG_0(long, MolDraw2D, String) - Static method in class org.RDKit.RDKFuncsJNI
 
updatePropertyCache(boolean) - Method in class org.RDKit.Atom
calculates any of our lazy properties
updatePropertyCache() - Method in class org.RDKit.Atom
calculates any of our lazy properties
updatePropertyCache(boolean) - Method in class org.RDKit.Bond
calculates any of our lazy properties
updatePropertyCache() - Method in class org.RDKit.Bond
calculates any of our lazy properties
updatePropertyCache(boolean) - Method in class org.RDKit.ROMol
calculates any of our lazy properties
updatePropertyCache() - Method in class org.RDKit.ROMol
calculates any of our lazy properties
updateProps(RDProps, boolean) - Method in class org.RDKit.RDProps
 
updateProps(RDProps) - Method in class org.RDKit.RDProps
 
use_count() - Method in class org.RDKit.Shared_Double_Array
 
use_count() - Method in class org.RDKit.Shared_Int_Array
 

V

ValenceList() - Method in class org.RDKit.atomicData
 
validate(SWIGTYPE_p_unsigned_int, SWIGTYPE_p_unsigned_int, boolean) - Method in class org.RDKit.ChemicalReaction
validates the reactants and products to make sure the reaction seems 'reasonable'
validate(SWIGTYPE_p_unsigned_int, SWIGTYPE_p_unsigned_int) - Method in class org.RDKit.ChemicalReaction
validates the reactants and products to make sure the reaction seems 'reasonable'
validate() - Method in class org.RDKit.ChemicalReaction
 
validateReaction(boolean) - Method in class org.RDKit.ChemicalReaction
 
validateReaction() - Method in class org.RDKit.ChemicalReaction
 
ValueErrorException - Class in org.RDKit
 
ValueErrorException(long, boolean) - Constructor for class org.RDKit.ValueErrorException
 
ValueErrorException(String) - Constructor for class org.RDKit.ValueErrorException
 
ValueErrorException_message(long, ValueErrorException) - Static method in class org.RDKit.RDKFuncsJNI
 
valueOf(String) - Static method in enum org.RDKit.AdjustQueryWhichFlags
Returns the enum constant of this type with the specified name.
valueOf(String) - Static method in enum org.RDKit.AromaticityModel
Returns the enum constant of this type with the specified name.
valueOf(String) - Static method in enum org.RDKit.Atom.ChiralType
Returns the enum constant of this type with the specified name.
valueOf(String) - Static method in enum org.RDKit.Atom.HybridizationType
Returns the enum constant of this type with the specified name.
valueOf(String) - Static method in enum org.RDKit.AtomColors
Returns the enum constant of this type with the specified name.
valueOf(String) - Static method in enum org.RDKit.AtomComparator
Returns the enum constant of this type with the specified name.
valueOf(String) - Static method in enum org.RDKit.AtomMonomerInfo.AtomMonomerType
Returns the enum constant of this type with the specified name.
valueOf(String) - Static method in enum org.RDKit.AxisType
Returns the enum constant of this type with the specified name.
valueOf(String) - Static method in enum org.RDKit.Bond.BondDir
Returns the enum constant of this type with the specified name.
valueOf(String) - Static method in enum org.RDKit.Bond.BondStereo
Returns the enum constant of this type with the specified name.
valueOf(String) - Static method in enum org.RDKit.Bond.BondType
Returns the enum constant of this type with the specified name.
valueOf(String) - Static method in enum org.RDKit.BondComparator
Returns the enum constant of this type with the specified name.
valueOf(String) - Static method in enum org.RDKit.CompositeQueryType
Returns the enum constant of this type with the specified name.
valueOf(String) - Static method in enum org.RDKit.FilterCatalogParams.FilterCatalogs
Returns the enum constant of this type with the specified name.
valueOf(String) - Static method in enum org.RDKit.FingerprintType
Returns the enum constant of this type with the specified name.
valueOf(String) - Static method in enum org.RDKit.HashFunction
Returns the enum constant of this type with the specified name.
valueOf(String) - Static method in enum org.RDKit.Mol2Type
Returns the enum constant of this type with the specified name.
valueOf(String) - Static method in enum org.RDKit.MolDraw2D.OrientType
Returns the enum constant of this type with the specified name.
valueOf(String) - Static method in enum org.RDKit.MolDraw2D.TextDrawType
Returns the enum constant of this type with the specified name.
valueOf(String) - Static method in enum org.RDKit.MolStackTypes
Returns the enum constant of this type with the specified name.
valueOf(String) - Static method in enum org.RDKit.NumRotatableBondsOptions
Returns the enum constant of this type with the specified name.
valueOf(String) - Static method in enum org.RDKit.ResonanceMolSupplier.ResonanceFlags
Returns the enum constant of this type with the specified name.
valueOf(String) - Static method in enum org.RDKit.RGroupCoreAlignment
Returns the enum constant of this type with the specified name.
valueOf(String) - Static method in enum org.RDKit.RGroupLabelling
Returns the enum constant of this type with the specified name.
valueOf(String) - Static method in enum org.RDKit.RGroupLabels
Returns the enum constant of this type with the specified name.
valueOf(String) - Static method in enum org.RDKit.RGroupMatching
Returns the enum constant of this type with the specified name.
valueOf(String) - Static method in enum org.RDKit.RingComparator
Returns the enum constant of this type with the specified name.
valueOf(String) - Static method in enum org.RDKit.SanitizeFlags
Returns the enum constant of this type with the specified name.
valueOf(String) - Static method in enum org.RDKit.StripType
Returns the enum constant of this type with the specified name.
values() - Static method in enum org.RDKit.AdjustQueryWhichFlags
Returns an array containing the constants of this enum type, in the order they are declared.
values() - Static method in enum org.RDKit.AromaticityModel
Returns an array containing the constants of this enum type, in the order they are declared.
values() - Static method in enum org.RDKit.Atom.ChiralType
Returns an array containing the constants of this enum type, in the order they are declared.
values() - Static method in enum org.RDKit.Atom.HybridizationType
Returns an array containing the constants of this enum type, in the order they are declared.
values() - Static method in enum org.RDKit.AtomColors
Returns an array containing the constants of this enum type, in the order they are declared.
values() - Static method in enum org.RDKit.AtomComparator
Returns an array containing the constants of this enum type, in the order they are declared.
values() - Static method in enum org.RDKit.AtomMonomerInfo.AtomMonomerType
Returns an array containing the constants of this enum type, in the order they are declared.
values() - Static method in enum org.RDKit.AxisType
Returns an array containing the constants of this enum type, in the order they are declared.
values() - Static method in enum org.RDKit.Bond.BondDir
Returns an array containing the constants of this enum type, in the order they are declared.
values() - Static method in enum org.RDKit.Bond.BondStereo
Returns an array containing the constants of this enum type, in the order they are declared.
values() - Static method in enum org.RDKit.Bond.BondType
Returns an array containing the constants of this enum type, in the order they are declared.
values() - Static method in enum org.RDKit.BondComparator
Returns an array containing the constants of this enum type, in the order they are declared.
values() - Static method in enum org.RDKit.CompositeQueryType
Returns an array containing the constants of this enum type, in the order they are declared.
values() - Static method in enum org.RDKit.FilterCatalogParams.FilterCatalogs
Returns an array containing the constants of this enum type, in the order they are declared.
values() - Static method in enum org.RDKit.FingerprintType
Returns an array containing the constants of this enum type, in the order they are declared.
values() - Static method in enum org.RDKit.HashFunction
Returns an array containing the constants of this enum type, in the order they are declared.
values() - Static method in enum org.RDKit.Mol2Type
Returns an array containing the constants of this enum type, in the order they are declared.
values() - Static method in enum org.RDKit.MolDraw2D.OrientType
Returns an array containing the constants of this enum type, in the order they are declared.
values() - Static method in enum org.RDKit.MolDraw2D.TextDrawType
Returns an array containing the constants of this enum type, in the order they are declared.
values() - Static method in enum org.RDKit.MolStackTypes
Returns an array containing the constants of this enum type, in the order they are declared.
values() - Static method in enum org.RDKit.NumRotatableBondsOptions
Returns an array containing the constants of this enum type, in the order they are declared.
values() - Static method in enum org.RDKit.ResonanceMolSupplier.ResonanceFlags
Returns an array containing the constants of this enum type, in the order they are declared.
values() - Static method in enum org.RDKit.RGroupCoreAlignment
Returns an array containing the constants of this enum type, in the order they are declared.
values() - Static method in enum org.RDKit.RGroupLabelling
Returns an array containing the constants of this enum type, in the order they are declared.
values() - Static method in enum org.RDKit.RGroupLabels
Returns an array containing the constants of this enum type, in the order they are declared.
values() - Static method in enum org.RDKit.RGroupMatching
Returns an array containing the constants of this enum type, in the order they are declared.
values() - Static method in enum org.RDKit.RingComparator
Returns an array containing the constants of this enum type, in the order they are declared.
values() - Static method in enum org.RDKit.SanitizeFlags
Returns an array containing the constants of this enum type, in the order they are declared.
values() - Static method in enum org.RDKit.StripType
Returns an array containing the constants of this enum type, in the order they are declared.
vdWContrib - Class in org.RDKit
 
vdWContrib(long, boolean) - Constructor for class org.RDKit.vdWContrib
 
vdWContrib() - Constructor for class org.RDKit.vdWContrib
 
vdWContrib(ForceField, long, long, AtomicParams, AtomicParams, double) - Constructor for class org.RDKit.vdWContrib
 
vdWContrib(ForceField, long, long, AtomicParams, AtomicParams) - Constructor for class org.RDKit.vdWContrib
 
vdWContrib_copy(long, vdWContrib) - Static method in class org.RDKit.RDKFuncsJNI
 
vdWContrib_getEnergy(long, vdWContrib, long) - Static method in class org.RDKit.RDKFuncsJNI
 
vdWContrib_getGrad(long, vdWContrib, long, long) - Static method in class org.RDKit.RDKFuncsJNI
 
vdWContrib_SWIGSmartPtrUpcast(long) - Static method in class org.RDKit.RDKFuncsJNI
 
versionMajor_get() - Static method in class org.RDKit.RDKFuncsJNI
 
versionMinor_get() - Static method in class org.RDKit.RDKFuncsJNI
 
versionPatch_get() - Static method in class org.RDKit.RDKFuncsJNI
 

W

WedgeMolBonds(Conformer) - Method in class org.RDKit.ROMol
 
WHITE_NODE_get() - Static method in class org.RDKit.RDKFuncsJNI
 
width() - Method in class org.RDKit.MolDraw2D
 
write(ROMol, int) - Method in class org.RDKit.MolWriter
 
write(ROMol) - Method in class org.RDKit.MolWriter
 
write(ROMol, int) - Method in class org.RDKit.PDBWriter
 
write(ROMol) - Method in class org.RDKit.PDBWriter
 
write(ROMol, int) - Method in class org.RDKit.SDWriter
 
write(ROMol) - Method in class org.RDKit.SDWriter
 
write(ROMol, int) - Method in class org.RDKit.SmilesWriter
 
write(ROMol) - Method in class org.RDKit.SmilesWriter
 
write(ROMol, int) - Method in class org.RDKit.TDTWriter
 
write(ROMol) - Method in class org.RDKit.TDTWriter
 

_

_2DConf_get() - Static method in class org.RDKit.RDKFuncsJNI
 
_3DConf_get() - Static method in class org.RDKit.RDKFuncsJNI
 
_AtomID_get() - Static method in class org.RDKit.RDKFuncsJNI
 
_BondsPotentialStereo_get() - Static method in class org.RDKit.RDKFuncsJNI
 
_brokenChirality_get() - Static method in class org.RDKit.RDKFuncsJNI
 
_ChiralityPossible_get() - Static method in class org.RDKit.RDKFuncsJNI
 
_CIPCode_get() - Static method in class org.RDKit.RDKFuncsJNI
 
_CIPRank_get() - Static method in class org.RDKit.RDKFuncsJNI
 
_connectivityHKDeltas_get() - Static method in class org.RDKit.RDKFuncsJNI
 
_connectivityNVals_get() - Static method in class org.RDKit.RDKFuncsJNI
 
_crippenLogP_get() - Static method in class org.RDKit.RDKFuncsJNI
 
_CrippenLogP_get() - Static method in class org.RDKit.RDKFuncsJNI
 
_crippenLogPContribs_get() - Static method in class org.RDKit.RDKFuncsJNI
 
_crippenMR_get() - Static method in class org.RDKit.RDKFuncsJNI
 
_CrippenMR_get() - Static method in class org.RDKit.RDKFuncsJNI
 
_crippenMRContribs_get() - Static method in class org.RDKit.RDKFuncsJNI
 
_doIsoSmiles_get() - Static method in class org.RDKit.RDKFuncsJNI
 
_fragSMARTS_get() - Static method in class org.RDKit.RDKFuncsJNI
 
_GasteigerCharge_get() - Static method in class org.RDKit.RDKFuncsJNI
 
_GasteigerHCharge_get() - Static method in class org.RDKit.RDKFuncsJNI
 
_GetStream() - Method in class org.RDKit.gzstream
 
_hasMassQuery_get() - Static method in class org.RDKit.RDKFuncsJNI
 
_internal_get_deleter(SWIGTYPE_p_boost__detail__sp_typeinfo) - Method in class org.RDKit.Shared_Double_Array
 
_internal_get_deleter(SWIGTYPE_p_boost__detail__sp_typeinfo) - Method in class org.RDKit.Shared_Int_Array
 
_labuteASA_get() - Static method in class org.RDKit.RDKFuncsJNI
 
_labuteAtomContribs_get() - Static method in class org.RDKit.RDKFuncsJNI
 
_labuteAtomHContrib_get() - Static method in class org.RDKit.RDKFuncsJNI
 
_MMFFSanitized_get() - Static method in class org.RDKit.RDKFuncsJNI
 
_MolFileAtomQuery_get() - Static method in class org.RDKit.RDKFuncsJNI
 
_MolFileBondAttach_get() - Static method in class org.RDKit.RDKFuncsJNI
 
_MolFileBondCfg_get() - Static method in class org.RDKit.RDKFuncsJNI
 
_MolFileBondEndPts_get() - Static method in class org.RDKit.RDKFuncsJNI
 
_MolFileBondQuery_get() - Static method in class org.RDKit.RDKFuncsJNI
 
_MolFileBondStereo_get() - Static method in class org.RDKit.RDKFuncsJNI
 
_MolFileBondType_get() - Static method in class org.RDKit.RDKFuncsJNI
 
_MolFileChiralFlag_get() - Static method in class org.RDKit.RDKFuncsJNI
 
_MolFileRLabel_get() - Static method in class org.RDKit.RDKFuncsJNI
 
_Name_get() - Static method in class org.RDKit.RDKFuncsJNI
 
_NeedsQueryScan_get() - Static method in class org.RDKit.RDKFuncsJNI
 
_protected_get() - Static method in class org.RDKit.RDKFuncsJNI
 
_QueryFormalCharge_get() - Static method in class org.RDKit.RDKFuncsJNI
 
_QueryHCount_get() - Static method in class org.RDKit.RDKFuncsJNI
 
_QueryIsotope_get() - Static method in class org.RDKit.RDKFuncsJNI
 
_QueryMass_get() - Static method in class org.RDKit.RDKFuncsJNI
 
_queryRootAtom_get() - Static method in class org.RDKit.RDKFuncsJNI
 
_ReactionDegreeChanged_get() - Static method in class org.RDKit.RDKFuncsJNI
 
_rgroupAtomMaps_get() - Static method in class org.RDKit.RDKFuncsJNI
 
_rgroupBonds_get() - Static method in class org.RDKit.RDKFuncsJNI
 
_RingClosures_get() - Static method in class org.RDKit.RDKFuncsJNI
 
_ringStereoAtoms_get() - Static method in class org.RDKit.RDKFuncsJNI
 
_ringStereochemCand_get() - Static method in class org.RDKit.RDKFuncsJNI
 
_ringStereoWarning_get() - Static method in class org.RDKit.RDKFuncsJNI
 
_SLN_s_get() - Static method in class org.RDKit.RDKFuncsJNI
 
_smilesAtomOutputOrder_get() - Static method in class org.RDKit.RDKFuncsJNI
 
_SmilesStart_get() - Static method in class org.RDKit.RDKFuncsJNI
 
_starred_get() - Static method in class org.RDKit.RDKFuncsJNI
 
_StereochemDone_get() - Static method in class org.RDKit.RDKFuncsJNI
 
_supplementalSmilesLabel_get() - Static method in class org.RDKit.RDKFuncsJNI
 
_tpsa_get() - Static method in class org.RDKit.RDKFuncsJNI
 
_tpsaAtomContribs_get() - Static method in class org.RDKit.RDKFuncsJNI
 
_TraversalBondIndexOrder_get() - Static method in class org.RDKit.RDKFuncsJNI
 
_TraversalRingClosureBond_get() - Static method in class org.RDKit.RDKFuncsJNI
 
_TraversalStartPoint_get() - Static method in class org.RDKit.RDKFuncsJNI
 
_TriposAtomType_get() - Static method in class org.RDKit.RDKFuncsJNI
 
_Unfinished_SLN__get() - Static method in class org.RDKit.RDKFuncsJNI
 
_UnknownStereo_get() - Static method in class org.RDKit.RDKFuncsJNI
 
_unspecifiedOrder_get() - Static method in class org.RDKit.RDKFuncsJNI
 
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