- 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
-
- 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
-