public class RDKFuncsJNI
extends java.lang.Object
Constructor and Description |
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RDKFuncsJNI() |
Modifier and Type | Method and Description |
---|---|
static java.lang.String |
_2DConf_get() |
static java.lang.String |
_3DConf_get() |
static java.lang.String |
_AtomID_get() |
static java.lang.String |
_BondsPotentialStereo_get() |
static java.lang.String |
_brokenChirality_get() |
static java.lang.String |
_ChiralityPossible_get() |
static java.lang.String |
_CIPCode_get() |
static java.lang.String |
_CIPRank_get() |
static java.lang.String |
_connectivityHKDeltas_get() |
static java.lang.String |
_connectivityNVals_get() |
static java.lang.String |
_crippenLogP_get() |
static java.lang.String |
_CrippenLogP_get() |
static java.lang.String |
_crippenLogPContribs_get() |
static java.lang.String |
_crippenMR_get() |
static java.lang.String |
_CrippenMR_get() |
static java.lang.String |
_crippenMRContribs_get() |
static java.lang.String |
_doIsoSmiles_get() |
static java.lang.String |
_fragSMARTS_get() |
static java.lang.String |
_GasteigerCharge_get() |
static java.lang.String |
_GasteigerHCharge_get() |
static java.lang.String |
_hasMassQuery_get() |
static java.lang.String |
_labuteASA_get() |
static java.lang.String |
_labuteAtomContribs_get() |
static java.lang.String |
_labuteAtomHContrib_get() |
static java.lang.String |
_MMFFSanitized_get() |
static java.lang.String |
_MolFileAtomQuery_get() |
static java.lang.String |
_MolFileBondAttach_get() |
static java.lang.String |
_MolFileBondCfg_get() |
static java.lang.String |
_MolFileBondEndPts_get() |
static java.lang.String |
_MolFileBondQuery_get() |
static java.lang.String |
_MolFileBondStereo_get() |
static java.lang.String |
_MolFileBondType_get() |
static java.lang.String |
_MolFileChiralFlag_get() |
static java.lang.String |
_MolFileRLabel_get() |
static java.lang.String |
_Name_get() |
static java.lang.String |
_NeedsQueryScan_get() |
static java.lang.String |
_protected_get() |
static java.lang.String |
_QueryFormalCharge_get() |
static java.lang.String |
_QueryHCount_get() |
static java.lang.String |
_QueryIsotope_get() |
static java.lang.String |
_QueryMass_get() |
static java.lang.String |
_queryRootAtom_get() |
static java.lang.String |
_ReactionDegreeChanged_get() |
static java.lang.String |
_rgroupAtomMaps_get() |
static java.lang.String |
_rgroupBonds_get() |
static java.lang.String |
_RingClosures_get() |
static java.lang.String |
_ringStereoAtoms_get() |
static java.lang.String |
_ringStereochemCand_get() |
static java.lang.String |
_ringStereoWarning_get() |
static java.lang.String |
_SLN_s_get() |
static java.lang.String |
_smilesAtomOutputOrder_get() |
static java.lang.String |
_SmilesStart_get() |
static java.lang.String |
_starred_get() |
static java.lang.String |
_StereochemDone_get() |
static java.lang.String |
_supplementalSmilesLabel_get() |
static java.lang.String |
_tpsa_get() |
static java.lang.String |
_tpsaAtomContribs_get() |
static java.lang.String |
_TraversalBondIndexOrder_get() |
static java.lang.String |
_TraversalRingClosureBond_get() |
static java.lang.String |
_TraversalStartPoint_get() |
static java.lang.String |
_TriposAtomType_get() |
static java.lang.String |
_Unfinished_SLN__get() |
static java.lang.String |
_UnknownStereo_get() |
static java.lang.String |
_unspecifiedOrder_get() |
static long |
addHs__SWIG_0(long jarg1,
ROMol jarg1_,
boolean jarg2,
boolean jarg3,
long jarg4,
UInt_Vect jarg4_,
boolean jarg5) |
static long |
addHs__SWIG_1(long jarg1,
ROMol jarg1_,
boolean jarg2,
boolean jarg3,
long jarg4,
UInt_Vect jarg4_) |
static long |
addHs__SWIG_2(long jarg1,
ROMol jarg1_,
boolean jarg2,
boolean jarg3) |
static long |
addHs__SWIG_3(long jarg1,
ROMol jarg1_,
boolean jarg2) |
static long |
addHs__SWIG_4(long jarg1,
ROMol jarg1_) |
static void |
addHs__SWIG_5(long jarg1,
RWMol jarg1_,
boolean jarg2,
boolean jarg3,
long jarg4,
UInt_Vect jarg4_,
boolean jarg5) |
static void |
addHs__SWIG_6(long jarg1,
RWMol jarg1_,
boolean jarg2,
boolean jarg3,
long jarg4,
UInt_Vect jarg4_) |
static void |
addHs__SWIG_7(long jarg1,
RWMol jarg1_,
boolean jarg2,
boolean jarg3) |
static void |
addHs__SWIG_8(long jarg1,
RWMol jarg1_,
boolean jarg2) |
static void |
addHs__SWIG_9(long jarg1,
RWMol jarg1_) |
static void |
addRecursiveQueries__SWIG_0(long jarg1,
ROMol jarg1_,
long jarg2,
StringMolMap jarg2_,
java.lang.String jarg3,
long jarg4) |
static void |
addRecursiveQueries__SWIG_1(long jarg1,
ROMol jarg1_,
long jarg2,
StringMolMap jarg2_,
java.lang.String jarg3) |
static void |
addRecursiveQueriesToReaction__SWIG_0(long jarg1,
ChemicalReaction jarg1_,
long jarg2,
StringMolMap jarg2_,
java.lang.String jarg3,
long jarg4) |
static void |
addRecursiveQueriesToReaction__SWIG_1(long jarg1,
ChemicalReaction jarg1_,
long jarg2,
StringMolMap jarg2_,
java.lang.String jarg3) |
static int |
ADJUST_IGNOREALL_get() |
static int |
ADJUST_IGNORECHAINS_get() |
static int |
ADJUST_IGNOREDUMMIES_get() |
static int |
ADJUST_IGNOREMAPPED_get() |
static int |
ADJUST_IGNORENONDUMMIES_get() |
static int |
ADJUST_IGNORENONE_get() |
static int |
ADJUST_IGNORERINGS_get() |
static void |
adjustHs(long jarg1,
RWMol jarg1_) |
static boolean |
AdjustQueryParameters_adjustDegree_get(long jarg1,
AdjustQueryParameters jarg1_) |
static void |
AdjustQueryParameters_adjustDegree_set(long jarg1,
AdjustQueryParameters jarg1_,
boolean jarg2) |
static long |
AdjustQueryParameters_adjustDegreeFlags_get(long jarg1,
AdjustQueryParameters jarg1_) |
static void |
AdjustQueryParameters_adjustDegreeFlags_set(long jarg1,
AdjustQueryParameters jarg1_,
long jarg2) |
static boolean |
AdjustQueryParameters_adjustHeavyDegree_get(long jarg1,
AdjustQueryParameters jarg1_) |
static void |
AdjustQueryParameters_adjustHeavyDegree_set(long jarg1,
AdjustQueryParameters jarg1_,
boolean jarg2) |
static long |
AdjustQueryParameters_adjustHeavyDegreeFlags_get(long jarg1,
AdjustQueryParameters jarg1_) |
static void |
AdjustQueryParameters_adjustHeavyDegreeFlags_set(long jarg1,
AdjustQueryParameters jarg1_,
long jarg2) |
static boolean |
AdjustQueryParameters_adjustRingChain_get(long jarg1,
AdjustQueryParameters jarg1_) |
static void |
AdjustQueryParameters_adjustRingChain_set(long jarg1,
AdjustQueryParameters jarg1_,
boolean jarg2) |
static long |
AdjustQueryParameters_adjustRingChainFlags_get(long jarg1,
AdjustQueryParameters jarg1_) |
static void |
AdjustQueryParameters_adjustRingChainFlags_set(long jarg1,
AdjustQueryParameters jarg1_,
long jarg2) |
static boolean |
AdjustQueryParameters_adjustRingCount_get(long jarg1,
AdjustQueryParameters jarg1_) |
static void |
AdjustQueryParameters_adjustRingCount_set(long jarg1,
AdjustQueryParameters jarg1_,
boolean jarg2) |
static long |
AdjustQueryParameters_adjustRingCountFlags_get(long jarg1,
AdjustQueryParameters jarg1_) |
static void |
AdjustQueryParameters_adjustRingCountFlags_set(long jarg1,
AdjustQueryParameters jarg1_,
long jarg2) |
static boolean |
AdjustQueryParameters_aromatizeIfPossible_get(long jarg1,
AdjustQueryParameters jarg1_) |
static void |
AdjustQueryParameters_aromatizeIfPossible_set(long jarg1,
AdjustQueryParameters jarg1_,
boolean jarg2) |
static boolean |
AdjustQueryParameters_makeAtomsGeneric_get(long jarg1,
AdjustQueryParameters jarg1_) |
static void |
AdjustQueryParameters_makeAtomsGeneric_set(long jarg1,
AdjustQueryParameters jarg1_,
boolean jarg2) |
static long |
AdjustQueryParameters_makeAtomsGenericFlags_get(long jarg1,
AdjustQueryParameters jarg1_) |
static void |
AdjustQueryParameters_makeAtomsGenericFlags_set(long jarg1,
AdjustQueryParameters jarg1_,
long jarg2) |
static boolean |
AdjustQueryParameters_makeBondsGeneric_get(long jarg1,
AdjustQueryParameters jarg1_) |
static void |
AdjustQueryParameters_makeBondsGeneric_set(long jarg1,
AdjustQueryParameters jarg1_,
boolean jarg2) |
static long |
AdjustQueryParameters_makeBondsGenericFlags_get(long jarg1,
AdjustQueryParameters jarg1_) |
static void |
AdjustQueryParameters_makeBondsGenericFlags_set(long jarg1,
AdjustQueryParameters jarg1_,
long jarg2) |
static boolean |
AdjustQueryParameters_makeDummiesQueries_get(long jarg1,
AdjustQueryParameters jarg1_) |
static void |
AdjustQueryParameters_makeDummiesQueries_set(long jarg1,
AdjustQueryParameters jarg1_,
boolean jarg2) |
static long |
adjustQueryProperties__SWIG_0(long jarg1,
ROMol jarg1_,
long jarg2,
AdjustQueryParameters jarg2_) |
static long |
adjustQueryProperties__SWIG_1(long jarg1,
ROMol jarg1_) |
static void |
adjustQueryProperties__SWIG_2(long jarg1,
RWMol jarg1_,
long jarg2,
AdjustQueryParameters jarg2_) |
static void |
adjustQueryProperties__SWIG_3(long jarg1,
RWMol jarg1_) |
static double |
AllBitSimilarity(long jarg1,
ExplicitBitVect jarg1_,
long jarg2,
ExplicitBitVect jarg2_) |
static boolean |
AllProbeBitsMatch__SWIG_0(java.lang.String jarg1,
java.lang.String jarg2) |
static boolean |
AllProbeBitsMatch__SWIG_2(long jarg1,
ExplicitBitVect jarg1_,
long jarg2,
ExplicitBitVect jarg2_) |
static boolean |
AllProbeBitsMatch__SWIG_5(long jarg1,
ExplicitBitVect jarg1_,
java.lang.String jarg2) |
static int |
AllProps_get() |
static double |
amideBondOrder_get() |
static java.lang.String |
amwVersion_get() |
static long |
AngleBendContrib_copy(long jarg1,
AngleBendContrib jarg1_) |
static double |
AngleBendContrib_getEnergy(long jarg1,
AngleBendContrib jarg1_,
long jarg2) |
static void |
AngleBendContrib_getGrad(long jarg1,
AngleBendContrib jarg1_,
long jarg2,
long jarg3) |
static long |
AngleBendContrib_SWIGSmartPtrUpcast(long jarg1) |
static boolean |
AromaticAtomIterator_eq(long jarg1,
AromaticAtomIterator jarg1_,
long jarg2,
AromaticAtomIterator jarg2_) |
static long |
AromaticAtomIterator_getAtom(long jarg1,
AromaticAtomIterator jarg1_) |
static boolean |
AromaticAtomIterator_ne(long jarg1,
AromaticAtomIterator jarg1_,
long jarg2,
AromaticAtomIterator jarg2_) |
static long |
AromaticAtomIterator_next__SWIG_0(long jarg1,
AromaticAtomIterator jarg1_) |
static long |
AromaticAtomIterator_next__SWIG_1(long jarg1,
AromaticAtomIterator jarg1_,
int jarg2) |
static long |
AromaticAtomIterator_prev__SWIG_0(long jarg1,
AromaticAtomIterator jarg1_) |
static long |
AromaticAtomIterator_prev__SWIG_1(long jarg1,
AromaticAtomIterator jarg1_,
int jarg2) |
static int |
AROMATICITY_CUSTOM_get() |
static int |
AROMATICITY_DEFAULT_get() |
static int |
AROMATICITY_MDL_get() |
static int |
AROMATICITY_RDKIT_get() |
static int |
AROMATICITY_SIMPLE_get() |
static void |
assignBWPalette(long jarg1,
ColourPalette jarg1_) |
static void |
assignChiralTypesFrom3D__SWIG_0(long jarg1,
ROMol jarg1_,
int jarg2,
boolean jarg3) |
static void |
assignChiralTypesFrom3D__SWIG_1(long jarg1,
ROMol jarg1_,
int jarg2) |
static void |
assignChiralTypesFrom3D__SWIG_2(long jarg1,
ROMol jarg1_) |
static void |
assignChiralTypesFromBondDirs__SWIG_0(long jarg1,
ROMol jarg1_,
int jarg2,
boolean jarg3) |
static void |
assignChiralTypesFromBondDirs__SWIG_1(long jarg1,
ROMol jarg1_,
int jarg2) |
static void |
assignChiralTypesFromBondDirs__SWIG_2(long jarg1,
ROMol jarg1_) |
static void |
assignDefaultPalette(long jarg1,
ColourPalette jarg1_) |
static void |
assignRadicals(long jarg1,
RWMol jarg1_) |
static void |
assignStereochemistry__SWIG_0(long jarg1,
ROMol jarg1_,
boolean jarg2,
boolean jarg3,
boolean jarg4) |
static void |
assignStereochemistry__SWIG_1(long jarg1,
ROMol jarg1_,
boolean jarg2,
boolean jarg3) |
static void |
assignStereochemistry__SWIG_2(long jarg1,
ROMol jarg1_,
boolean jarg2) |
static void |
assignStereochemistry__SWIG_3(long jarg1,
ROMol jarg1_) |
static void |
assignStereochemistryFrom3D__SWIG_0(long jarg1,
ROMol jarg1_,
int jarg2,
boolean jarg3) |
static void |
assignStereochemistryFrom3D__SWIG_1(long jarg1,
ROMol jarg1_,
int jarg2) |
static void |
assignStereochemistryFrom3D__SWIG_2(long jarg1,
ROMol jarg1_) |
static double |
AsymmetricSimilarity(long jarg1,
ExplicitBitVect jarg1_,
long jarg2,
ExplicitBitVect jarg2_) |
static boolean |
Atom_atomHasConjugatedBond(long jarg1,
Atom jarg1_) |
static int |
Atom_calcExplicitValence__SWIG_0(long jarg1,
Atom jarg1_,
boolean jarg2) |
static int |
Atom_calcExplicitValence__SWIG_1(long jarg1,
Atom jarg1_) |
static int |
Atom_calcImplicitValence__SWIG_0(long jarg1,
Atom jarg1_,
boolean jarg2) |
static int |
Atom_calcImplicitValence__SWIG_1(long jarg1,
Atom jarg1_) |
static int |
Atom_CHI_UNSPECIFIED_get() |
static long |
Atom_copy(long jarg1,
Atom jarg1_) |
static void |
Atom_expandQuery__SWIG_0(long jarg1,
Atom jarg1_,
long jarg2,
int jarg3,
boolean jarg4) |
static void |
Atom_expandQuery__SWIG_1(long jarg1,
Atom jarg1_,
long jarg2,
int jarg3) |
static void |
Atom_expandQuery__SWIG_2(long jarg1,
Atom jarg1_,
long jarg2) |
static int |
Atom_getAtomicNum(long jarg1,
Atom jarg1_) |
static int |
Atom_getAtomMapNum(long jarg1,
Atom jarg1_) |
static long |
Atom_getBonds(long jarg1,
Atom jarg1_) |
static int |
Atom_getChiralTag(long jarg1,
Atom jarg1_) |
static long |
Atom_getDegree(long jarg1,
Atom jarg1_) |
static int |
Atom_getExplicitValence(long jarg1,
Atom jarg1_) |
static int |
Atom_getFormalCharge(long jarg1,
Atom jarg1_) |
static int |
Atom_getHybridization(long jarg1,
Atom jarg1_) |
static long |
Atom_getIdx(long jarg1,
Atom jarg1_) |
static int |
Atom_getImplicitValence(long jarg1,
Atom jarg1_) |
static boolean |
Atom_getIsAromatic(long jarg1,
Atom jarg1_) |
static long |
Atom_getIsotope(long jarg1,
Atom jarg1_) |
static double |
Atom_getMass(long jarg1,
Atom jarg1_) |
static long |
Atom_getMonomerInfo__SWIG_0(long jarg1,
Atom jarg1_) |
static boolean |
Atom_getNoImplicit(long jarg1,
Atom jarg1_) |
static long |
Atom_getNumExplicitHs(long jarg1,
Atom jarg1_) |
static long |
Atom_getNumImplicitHs(long jarg1,
Atom jarg1_) |
static long |
Atom_getNumRadicalElectrons(long jarg1,
Atom jarg1_) |
static long |
Atom_getOwningMol(long jarg1,
Atom jarg1_) |
static int |
Atom_getPerturbationOrder(long jarg1,
Atom jarg1_,
long jarg2,
Int_List jarg2_) |
static java.lang.String |
Atom_getProp(long jarg1,
Atom jarg1_,
java.lang.String jarg2) |
static long |
Atom_getQuery(long jarg1,
Atom jarg1_) |
static java.lang.String |
Atom_getSymbol(long jarg1,
Atom jarg1_) |
static long |
Atom_getTotalDegree(long jarg1,
Atom jarg1_) |
static long |
Atom_getTotalNumHs__SWIG_0(long jarg1,
Atom jarg1_,
boolean jarg2) |
static long |
Atom_getTotalNumHs__SWIG_1(long jarg1,
Atom jarg1_) |
static long |
Atom_getTotalValence(long jarg1,
Atom jarg1_) |
static boolean |
Atom_hasOwningMol(long jarg1,
Atom jarg1_) |
static boolean |
Atom_hasQuery(long jarg1,
Atom jarg1_) |
static void |
Atom_invertChirality(long jarg1,
Atom jarg1_) |
static boolean |
Atom_IsInRing(long jarg1,
Atom jarg1_) |
static boolean |
Atom_IsInRingSize(long jarg1,
Atom jarg1_,
int jarg2) |
static void |
Atom_markConjAtomBonds(long jarg1,
Atom jarg1_) |
static boolean |
Atom_needsUpdatePropertyCache(long jarg1,
Atom jarg1_) |
static int |
Atom_numBondsPlusLonePairs(long jarg1,
Atom jarg1_) |
static void |
Atom_setAtomicNum(long jarg1,
Atom jarg1_,
int jarg2) |
static void |
Atom_setAtomMapNum__SWIG_0(long jarg1,
Atom jarg1_,
int jarg2,
boolean jarg3) |
static void |
Atom_setAtomMapNum__SWIG_1(long jarg1,
Atom jarg1_,
int jarg2) |
static void |
Atom_setChiralTag(long jarg1,
Atom jarg1_,
int jarg2) |
static void |
Atom_setFormalCharge(long jarg1,
Atom jarg1_,
int jarg2) |
static void |
Atom_setHybridization(long jarg1,
Atom jarg1_,
int jarg2) |
static void |
Atom_setIdx(long jarg1,
Atom jarg1_,
long jarg2) |
static void |
Atom_setIsAromatic(long jarg1,
Atom jarg1_,
boolean jarg2) |
static void |
Atom_setIsotope(long jarg1,
Atom jarg1_,
long jarg2) |
static void |
Atom_setMonomerInfo(long jarg1,
Atom jarg1_,
long jarg2,
AtomMonomerInfo jarg2_) |
static void |
Atom_setNoImplicit(long jarg1,
Atom jarg1_,
boolean jarg2) |
static void |
Atom_setNumExplicitHs(long jarg1,
Atom jarg1_,
long jarg2) |
static void |
Atom_setNumRadicalElectrons(long jarg1,
Atom jarg1_,
long jarg2) |
static void |
Atom_setQuery(long jarg1,
Atom jarg1_,
long jarg2) |
static long |
Atom_SWIGSmartPtrUpcast(long jarg1) |
static void |
Atom_transformAtom(long jarg1,
Atom jarg1_,
long jarg2,
Transform3D jarg2_) |
static int |
Atom_UNSPECIFIED_get() |
static void |
Atom_updatePropertyCache__SWIG_0(long jarg1,
Atom jarg1_,
boolean jarg2) |
static void |
Atom_updatePropertyCache__SWIG_1(long jarg1,
Atom jarg1_) |
static void |
Atom_Vect_add(long jarg1,
Atom_Vect jarg1_,
long jarg2,
Atom jarg2_) |
static long |
Atom_Vect_capacity(long jarg1,
Atom_Vect jarg1_) |
static void |
Atom_Vect_clear(long jarg1,
Atom_Vect jarg1_) |
static boolean |
Atom_Vect_equals(long jarg1,
Atom_Vect jarg1_,
long jarg2,
Atom_Vect jarg2_) |
static long |
Atom_Vect_get(long jarg1,
Atom_Vect jarg1_,
int jarg2) |
static boolean |
Atom_Vect_isEmpty(long jarg1,
Atom_Vect jarg1_) |
static void |
Atom_Vect_reserve(long jarg1,
Atom_Vect jarg1_,
long jarg2) |
static void |
Atom_Vect_set(long jarg1,
Atom_Vect jarg1_,
int jarg2,
long jarg3,
Atom jarg3_) |
static long |
Atom_Vect_size(long jarg1,
Atom_Vect jarg1_) |
static boolean |
atomHasConjugatedBond(long jarg1,
Atom jarg1_) |
static void |
Atomic_Params_Vect_add(long jarg1,
Atomic_Params_Vect jarg1_,
long jarg2,
AtomicParams jarg2_) |
static long |
Atomic_Params_Vect_capacity(long jarg1,
Atomic_Params_Vect jarg1_) |
static void |
Atomic_Params_Vect_clear(long jarg1,
Atomic_Params_Vect jarg1_) |
static boolean |
Atomic_Params_Vect_equals(long jarg1,
Atomic_Params_Vect jarg1_,
long jarg2,
Atomic_Params_Vect jarg2_) |
static long |
Atomic_Params_Vect_get(long jarg1,
Atomic_Params_Vect jarg1_,
int jarg2) |
static boolean |
Atomic_Params_Vect_isEmpty(long jarg1,
Atomic_Params_Vect jarg1_) |
static void |
Atomic_Params_Vect_reserve(long jarg1,
Atomic_Params_Vect jarg1_,
long jarg2) |
static void |
Atomic_Params_Vect_set(long jarg1,
Atomic_Params_Vect jarg1_,
int jarg2,
long jarg3,
AtomicParams jarg3_) |
static long |
Atomic_Params_Vect_size(long jarg1,
Atomic_Params_Vect jarg1_) |
static int |
atomicData_AtomicNum(long jarg1,
atomicData jarg1_) |
static long |
atomicData_d_isotopeInfoMap_get(long jarg1,
atomicData jarg1_) |
static void |
atomicData_d_isotopeInfoMap_set(long jarg1,
atomicData jarg1_,
long jarg2) |
static int |
atomicData_DefaultValence(long jarg1,
atomicData jarg1_) |
static double |
atomicData_Mass(long jarg1,
atomicData jarg1_) |
static int |
atomicData_MostCommonIsotope(long jarg1,
atomicData jarg1_) |
static double |
atomicData_MostCommonIsotopeMass(long jarg1,
atomicData jarg1_) |
static int |
atomicData_NumOuterShellElec(long jarg1,
atomicData jarg1_) |
static int |
atomicData_NumValence(long jarg1,
atomicData jarg1_) |
static double |
atomicData_Rb0(long jarg1,
atomicData jarg1_) |
static double |
atomicData_Rcov(long jarg1,
atomicData jarg1_) |
static double |
atomicData_Rvdw(long jarg1,
atomicData jarg1_) |
static java.lang.String |
atomicData_Symbol(long jarg1,
atomicData jarg1_) |
static long |
atomicData_ValenceList(long jarg1,
atomicData jarg1_) |
static double |
AtomicParams_D1_get(long jarg1,
AtomicParams jarg1_) |
static void |
AtomicParams_D1_set(long jarg1,
AtomicParams jarg1_,
double jarg2) |
static double |
AtomicParams_GMP_Hardness_get(long jarg1,
AtomicParams jarg1_) |
static void |
AtomicParams_GMP_Hardness_set(long jarg1,
AtomicParams jarg1_,
double jarg2) |
static double |
AtomicParams_GMP_Radius_get(long jarg1,
AtomicParams jarg1_) |
static void |
AtomicParams_GMP_Radius_set(long jarg1,
AtomicParams jarg1_,
double jarg2) |
static double |
AtomicParams_GMP_Xi_get(long jarg1,
AtomicParams jarg1_) |
static void |
AtomicParams_GMP_Xi_set(long jarg1,
AtomicParams jarg1_,
double jarg2) |
static double |
AtomicParams_r1_get(long jarg1,
AtomicParams jarg1_) |
static void |
AtomicParams_r1_set(long jarg1,
AtomicParams jarg1_,
double jarg2) |
static double |
AtomicParams_theta0_get(long jarg1,
AtomicParams jarg1_) |
static void |
AtomicParams_theta0_set(long jarg1,
AtomicParams jarg1_,
double jarg2) |
static double |
AtomicParams_U1_get(long jarg1,
AtomicParams jarg1_) |
static void |
AtomicParams_U1_set(long jarg1,
AtomicParams jarg1_,
double jarg2) |
static double |
AtomicParams_V1_get(long jarg1,
AtomicParams jarg1_) |
static void |
AtomicParams_V1_set(long jarg1,
AtomicParams jarg1_,
double jarg2) |
static double |
AtomicParams_x1_get(long jarg1,
AtomicParams jarg1_) |
static void |
AtomicParams_x1_set(long jarg1,
AtomicParams jarg1_,
double jarg2) |
static double |
AtomicParams_Z1_get(long jarg1,
AtomicParams jarg1_) |
static void |
AtomicParams_Z1_set(long jarg1,
AtomicParams jarg1_,
double jarg2) |
static double |
AtomicParams_zeta_get(long jarg1,
AtomicParams jarg1_) |
static void |
AtomicParams_zeta_set(long jarg1,
AtomicParams jarg1_,
double jarg2) |
static int |
AtomIndexLabels_get() |
static boolean |
AtomIterator_eq(long jarg1,
AtomIterator jarg1_,
long jarg2,
AtomIterator jarg2_) |
static long |
AtomIterator_getAtom(long jarg1,
AtomIterator jarg1_) |
static boolean |
AtomIterator_ne(long jarg1,
AtomIterator jarg1_,
long jarg2,
AtomIterator jarg2_) |
static long |
AtomIterator_next__SWIG_0(long jarg1,
AtomIterator jarg1_) |
static long |
AtomIterator_next__SWIG_1(long jarg1,
AtomIterator jarg1_,
int jarg2) |
static long |
AtomIterator_prev__SWIG_0(long jarg1,
AtomIterator jarg1_) |
static long |
AtomIterator_prev__SWIG_1(long jarg1,
AtomIterator jarg1_,
int jarg2) |
static long |
AtomKekulizeException_copy(long jarg1,
AtomKekulizeException jarg1_) |
static long |
AtomKekulizeException_dynamic_cast(long jarg1,
MolSanitizeException jarg1_) |
static java.lang.String |
AtomKekulizeException_getType(long jarg1,
AtomKekulizeException jarg1_) |
static long |
AtomKekulizeException_SWIGSmartPtrUpcast(long jarg1) |
static java.lang.String |
atomLabel_get() |
static int |
AtomMap_get() |
static int |
AtomMapLabels_get() |
static long |
AtomMonomerInfo_copy(long jarg1,
AtomMonomerInfo jarg1_) |
static int |
AtomMonomerInfo_getMonomerType(long jarg1,
AtomMonomerInfo jarg1_) |
static java.lang.String |
AtomMonomerInfo_getName(long jarg1,
AtomMonomerInfo jarg1_) |
static void |
AtomMonomerInfo_setMonomerType(long jarg1,
AtomMonomerInfo jarg1_,
int jarg2) |
static void |
AtomMonomerInfo_setName(long jarg1,
AtomMonomerInfo jarg1_,
java.lang.String jarg2) |
static int |
AtomMonomerInfo_UNKNOWN_get() |
static long |
atomNumberTypes_get() |
static int |
AtomPairFP_get() |
static java.lang.String |
atomPairsVersion_get() |
static long |
AtomPDBResidueInfo_copy(long jarg1,
AtomPDBResidueInfo jarg1_) |
static java.lang.String |
AtomPDBResidueInfo_getAltLoc(long jarg1,
AtomPDBResidueInfo jarg1_) |
static java.lang.String |
AtomPDBResidueInfo_getChainId(long jarg1,
AtomPDBResidueInfo jarg1_) |
static java.lang.String |
AtomPDBResidueInfo_getInsertionCode(long jarg1,
AtomPDBResidueInfo jarg1_) |
static boolean |
AtomPDBResidueInfo_getIsHeteroAtom(long jarg1,
AtomPDBResidueInfo jarg1_) |
static double |
AtomPDBResidueInfo_getOccupancy(long jarg1,
AtomPDBResidueInfo jarg1_) |
static java.lang.String |
AtomPDBResidueInfo_getResidueName(long jarg1,
AtomPDBResidueInfo jarg1_) |
static int |
AtomPDBResidueInfo_getResidueNumber(long jarg1,
AtomPDBResidueInfo jarg1_) |
static long |
AtomPDBResidueInfo_getSecondaryStructure(long jarg1,
AtomPDBResidueInfo jarg1_) |
static long |
AtomPDBResidueInfo_getSegmentNumber(long jarg1,
AtomPDBResidueInfo jarg1_) |
static int |
AtomPDBResidueInfo_getSerialNumber(long jarg1,
AtomPDBResidueInfo jarg1_) |
static double |
AtomPDBResidueInfo_getTempFactor(long jarg1,
AtomPDBResidueInfo jarg1_) |
static void |
AtomPDBResidueInfo_setAltLoc(long jarg1,
AtomPDBResidueInfo jarg1_,
java.lang.String jarg2) |
static void |
AtomPDBResidueInfo_setChainId(long jarg1,
AtomPDBResidueInfo jarg1_,
java.lang.String jarg2) |
static void |
AtomPDBResidueInfo_setInsertionCode(long jarg1,
AtomPDBResidueInfo jarg1_,
java.lang.String jarg2) |
static void |
AtomPDBResidueInfo_setIsHeteroAtom(long jarg1,
AtomPDBResidueInfo jarg1_,
boolean jarg2) |
static void |
AtomPDBResidueInfo_setOccupancy(long jarg1,
AtomPDBResidueInfo jarg1_,
double jarg2) |
static void |
AtomPDBResidueInfo_setResidueName(long jarg1,
AtomPDBResidueInfo jarg1_,
java.lang.String jarg2) |
static void |
AtomPDBResidueInfo_setResidueNumber(long jarg1,
AtomPDBResidueInfo jarg1_,
int jarg2) |
static void |
AtomPDBResidueInfo_setSecondaryStructure(long jarg1,
AtomPDBResidueInfo jarg1_,
long jarg2) |
static void |
AtomPDBResidueInfo_setSegmentNumber(long jarg1,
AtomPDBResidueInfo jarg1_,
long jarg2) |
static void |
AtomPDBResidueInfo_setSerialNumber(long jarg1,
AtomPDBResidueInfo jarg1_,
int jarg2) |
static void |
AtomPDBResidueInfo_setTempFactor(long jarg1,
AtomPDBResidueInfo jarg1_,
double jarg2) |
static long |
AtomPDBResidueInfo_SWIGUpcast(long jarg1) |
static int |
AtomProps_get() |
static long |
AtomRingQuery_copy(long jarg1,
AtomRingQuery jarg1_) |
static boolean |
AtomRingQuery_Match(long jarg1,
AtomRingQuery jarg1_,
long jarg2,
Atom jarg2_) |
static long |
AtomSanitizeException_copy(long jarg1,
AtomSanitizeException jarg1_) |
static long |
AtomSanitizeException_dynamic_cast(long jarg1,
MolSanitizeException jarg1_) |
static long |
AtomSanitizeException_getAtomIdx(long jarg1,
AtomSanitizeException jarg1_) |
static java.lang.String |
AtomSanitizeException_getType(long jarg1,
AtomSanitizeException jarg1_) |
static long |
AtomSanitizeException_SWIGSmartPtrUpcast(long jarg1) |
static long |
AtomValenceException_copy(long jarg1,
AtomValenceException jarg1_) |
static long |
AtomValenceException_dynamic_cast(long jarg1,
MolSanitizeException jarg1_) |
static java.lang.String |
AtomValenceException_getType(long jarg1,
AtomValenceException jarg1_) |
static long |
AtomValenceException_SWIGSmartPtrUpcast(long jarg1) |
static int |
AutoDetect_get() |
static int |
avalonSimilarityBits_get() |
static int |
avalonSSSBits_get() |
static java.lang.String |
BalabanJ_get() |
static java.lang.String |
BalanbanJ_get() |
static void |
BitInfoMap_clear(long jarg1,
BitInfoMap jarg1_) |
static void |
BitInfoMap_del(long jarg1,
BitInfoMap jarg1_,
long jarg2) |
static boolean |
BitInfoMap_empty(long jarg1,
BitInfoMap jarg1_) |
static long |
BitInfoMap_get(long jarg1,
BitInfoMap jarg1_,
long jarg2) |
static boolean |
BitInfoMap_has_key(long jarg1,
BitInfoMap jarg1_,
long jarg2) |
static void |
BitInfoMap_set(long jarg1,
BitInfoMap jarg1_,
long jarg2,
long jarg3,
UIntPairVect jarg3_) |
static long |
BitInfoMap_size(long jarg1,
BitInfoMap jarg1_) |
static void |
BitVect_clearBits(long jarg1,
BitVect jarg1_) |
static boolean |
BitVect_getBit(long jarg1,
BitVect jarg1_,
long jarg2) |
static long |
BitVect_getNumBits(long jarg1,
BitVect jarg1_) |
static long |
BitVect_getNumOffBits(long jarg1,
BitVect jarg1_) |
static long |
BitVect_getNumOnBits(long jarg1,
BitVect jarg1_) |
static void |
BitVect_getOnBits(long jarg1,
BitVect jarg1_,
long jarg2,
Int_Vect jarg2_) |
static void |
BitVect_initFromText__SWIG_0(long jarg1,
BitVect jarg1_,
java.lang.String jarg2,
long jarg3,
boolean jarg4,
boolean jarg5) |
static void |
BitVect_initFromText__SWIG_1(long jarg1,
BitVect jarg1_,
java.lang.String jarg2,
long jarg3,
boolean jarg4) |
static void |
BitVect_initFromText__SWIG_2(long jarg1,
BitVect jarg1_,
java.lang.String jarg2,
long jarg3) |
static boolean |
BitVect_setBit(long jarg1,
BitVect jarg1_,
long jarg2) |
static long |
BitVect_size(long jarg1,
BitVect jarg1_) |
static java.lang.String |
BitVect_toString(long jarg1,
BitVect jarg1_) |
static boolean |
BitVect_unsetBit(long jarg1,
BitVect jarg1_,
long jarg2) |
static java.lang.String |
BitVectToFPSText(long jarg1,
ExplicitBitVect jarg1_) |
static java.lang.String |
BitVectToText(long jarg1,
ExplicitBitVect jarg1_) |
static long |
Bond_copy(long jarg1,
Bond jarg1_) |
static int |
Bond_DetermineBondWedgeState(long jarg1,
Bond jarg1_,
long jarg2,
Int_Int_Map jarg2_,
long jarg3,
Conformer jarg3_) |
static void |
Bond_expandQuery__SWIG_0(long jarg1,
Bond jarg1_,
long jarg2,
int jarg3,
boolean jarg4) |
static void |
Bond_expandQuery__SWIG_1(long jarg1,
Bond jarg1_,
long jarg2,
int jarg3) |
static void |
Bond_expandQuery__SWIG_2(long jarg1,
Bond jarg1_,
long jarg2) |
static long |
Bond_getBeginAtom(long jarg1,
Bond jarg1_) |
static long |
Bond_getBeginAtomIdx(long jarg1,
Bond jarg1_) |
static int |
Bond_getBondDir(long jarg1,
Bond jarg1_) |
static int |
Bond_getBondType(long jarg1,
Bond jarg1_) |
static double |
Bond_getBondTypeAsDouble(long jarg1,
Bond jarg1_) |
static long |
Bond_getEndAtom(long jarg1,
Bond jarg1_) |
static long |
Bond_getEndAtomIdx(long jarg1,
Bond jarg1_) |
static long |
Bond_getIdx(long jarg1,
Bond jarg1_) |
static boolean |
Bond_getIsAromatic(long jarg1,
Bond jarg1_) |
static boolean |
Bond_getIsConjugated(long jarg1,
Bond jarg1_) |
static long |
Bond_getOtherAtom(long jarg1,
Bond jarg1_,
long jarg2,
Atom jarg2_) |
static long |
Bond_getOtherAtomIdx(long jarg1,
Bond jarg1_,
long jarg2) |
static long |
Bond_getOwningMol(long jarg1,
Bond jarg1_) |
static java.lang.String |
Bond_getProp(long jarg1,
Bond jarg1_,
java.lang.String jarg2) |
static long |
Bond_getQuery(long jarg1,
Bond jarg1_) |
static int |
Bond_getStereo(long jarg1,
Bond jarg1_) |
static long |
Bond_getStereoAtoms__SWIG_0(long jarg1,
Bond jarg1_) |
static boolean |
Bond_hasOwningMol(long jarg1,
Bond jarg1_) |
static boolean |
Bond_hasQuery(long jarg1,
Bond jarg1_) |
static boolean |
Bond_IsInRing(long jarg1,
Bond jarg1_) |
static boolean |
Bond_IsInRingSize(long jarg1,
Bond jarg1_,
int jarg2) |
static int |
Bond_NONE_get() |
static void |
Bond_setBeginAtomIdx(long jarg1,
Bond jarg1_,
long jarg2) |
static void |
Bond_setBondDir(long jarg1,
Bond jarg1_,
int jarg2) |
static void |
Bond_setBondType(long jarg1,
Bond jarg1_,
int jarg2) |
static void |
Bond_setEndAtomIdx(long jarg1,
Bond jarg1_,
long jarg2) |
static void |
Bond_setIdx(long jarg1,
Bond jarg1_,
long jarg2) |
static void |
Bond_setIsAromatic(long jarg1,
Bond jarg1_,
boolean jarg2) |
static void |
Bond_setIsConjugated(long jarg1,
Bond jarg1_,
boolean jarg2) |
static void |
Bond_setOwningMol__SWIG_0(long jarg1,
Bond jarg1_,
long jarg2,
ROMol jarg2_) |
static void |
Bond_setQuery(long jarg1,
Bond jarg1_,
long jarg2) |
static void |
Bond_setStereo(long jarg1,
Bond jarg1_,
int jarg2) |
static void |
Bond_setStereoAtoms(long jarg1,
Bond jarg1_,
long jarg2,
long jarg3) |
static int |
Bond_STEREONONE_get() |
static long |
Bond_SWIGSmartPtrUpcast(long jarg1) |
static int |
Bond_UNSPECIFIED_get() |
static void |
Bond_updatePropertyCache__SWIG_0(long jarg1,
Bond jarg1_,
boolean jarg2) |
static void |
Bond_updatePropertyCache__SWIG_1(long jarg1,
Bond jarg1_) |
static void |
Bond_Vect_add(long jarg1,
Bond_Vect jarg1_,
long jarg2,
Bond jarg2_) |
static long |
Bond_Vect_capacity(long jarg1,
Bond_Vect jarg1_) |
static void |
Bond_Vect_clear(long jarg1,
Bond_Vect jarg1_) |
static boolean |
Bond_Vect_equals(long jarg1,
Bond_Vect jarg1_,
long jarg2,
Bond_Vect jarg2_) |
static long |
Bond_Vect_get(long jarg1,
Bond_Vect jarg1_,
int jarg2) |
static boolean |
Bond_Vect_isEmpty(long jarg1,
Bond_Vect jarg1_) |
static void |
Bond_Vect_reserve(long jarg1,
Bond_Vect jarg1_,
long jarg2) |
static void |
Bond_Vect_set(long jarg1,
Bond_Vect jarg1_,
int jarg2,
long jarg3,
Bond jarg3_) |
static long |
Bond_Vect_size(long jarg1,
Bond_Vect jarg1_) |
static boolean |
BondIterator_eq(long jarg1,
BondIterator jarg1_,
long jarg2,
BondIterator jarg2_) |
static long |
BondIterator_getBond(long jarg1,
BondIterator jarg1_) |
static boolean |
BondIterator_ne(long jarg1,
BondIterator jarg1_,
long jarg2,
BondIterator jarg2_) |
static long |
BondIterator_next__SWIG_0(long jarg1,
BondIterator jarg1_) |
static long |
BondIterator_next__SWIG_1(long jarg1,
BondIterator jarg1_,
int jarg2) |
static long |
BondIterator_prev__SWIG_0(long jarg1,
BondIterator jarg1_) |
static long |
BondIterator_prev__SWIG_1(long jarg1,
BondIterator jarg1_,
int jarg2) |
static long |
bondListFromAtomList(long jarg1,
ROMol jarg1_,
long jarg2,
Int_Vect jarg2_) |
static int |
BondProps_get() |
static long |
BondStretchContrib_copy(long jarg1,
BondStretchContrib jarg1_) |
static double |
BondStretchContrib_getEnergy(long jarg1,
BondStretchContrib jarg1_,
long jarg2) |
static void |
BondStretchContrib_getGrad(long jarg1,
BondStretchContrib jarg1_,
long jarg2,
long jarg3) |
static long |
BondStretchContrib_SWIGSmartPtrUpcast(long jarg1) |
static java.lang.String |
boostVersion_get() |
static void |
boostVersion_set(java.lang.String jarg1) |
static boolean |
BoundsMatrix_checkValid(long jarg1,
BoundsMatrix jarg1_) |
static double |
BoundsMatrix_getLowerBound(long jarg1,
BoundsMatrix jarg1_,
long jarg2,
long jarg3) |
static double |
BoundsMatrix_getUpperBound(long jarg1,
BoundsMatrix jarg1_,
long jarg2,
long jarg3) |
static void |
BoundsMatrix_setLowerBound(long jarg1,
BoundsMatrix jarg1_,
long jarg2,
long jarg3,
double jarg4) |
static void |
BoundsMatrix_setLowerBoundIfBetter(long jarg1,
BoundsMatrix jarg1_,
long jarg2,
long jarg3,
double jarg4) |
static void |
BoundsMatrix_setUpperBound(long jarg1,
BoundsMatrix jarg1_,
long jarg2,
long jarg3,
double jarg4) |
static void |
BoundsMatrix_setUpperBoundIfBetter(long jarg1,
BoundsMatrix jarg1_,
long jarg2,
long jarg3,
double jarg4) |
static long |
BoundsMatrix_SWIGUpcast(long jarg1) |
static double |
BraunBlanquetSimilarity(long jarg1,
ExplicitBitVect jarg1_,
long jarg2,
ExplicitBitVect jarg2_) |
static void |
buildDefaultRDKitFingerprintAtomInvariants(long jarg1,
ROMol jarg1_,
long jarg2,
UInt_Vect jarg2_) |
static void |
Byte_Vect_add(long jarg1,
Byte_Vect jarg1_,
byte jarg2) |
static long |
Byte_Vect_capacity(long jarg1,
Byte_Vect jarg1_) |
static void |
Byte_Vect_clear(long jarg1,
Byte_Vect jarg1_) |
static boolean |
Byte_Vect_equals(long jarg1,
Byte_Vect jarg1_,
long jarg2,
Byte_Vect jarg2_) |
static byte |
Byte_Vect_get(long jarg1,
Byte_Vect jarg1_,
int jarg2) |
static boolean |
Byte_Vect_isEmpty(long jarg1,
Byte_Vect jarg1_) |
static void |
Byte_Vect_reserve(long jarg1,
Byte_Vect jarg1_,
long jarg2) |
static void |
Byte_Vect_set(long jarg1,
Byte_Vect jarg1_,
int jarg2,
byte jarg3) |
static long |
Byte_Vect_size(long jarg1,
Byte_Vect jarg1_) |
static long |
CachedMolHolder_addBinary(long jarg1,
CachedMolHolder jarg1_,
java.lang.String jarg2) |
static long |
CachedMolHolder_addMol(long jarg1,
CachedMolHolder jarg1_,
long jarg2,
ROMol jarg2_) |
static long |
CachedMolHolder_getMol(long jarg1,
CachedMolHolder jarg1_,
long jarg2) |
static long |
CachedMolHolder_getMols__SWIG_0(long jarg1,
CachedMolHolder jarg1_) |
static long |
CachedMolHolder_size(long jarg1,
CachedMolHolder jarg1_) |
static long |
CachedMolHolder_SWIGSmartPtrUpcast(long jarg1) |
static long |
CachedSmilesMolHolder_addMol(long jarg1,
CachedSmilesMolHolder jarg1_,
long jarg2,
ROMol jarg2_) |
static long |
CachedSmilesMolHolder_addSmiles(long jarg1,
CachedSmilesMolHolder jarg1_,
java.lang.String jarg2) |
static long |
CachedSmilesMolHolder_getMol(long jarg1,
CachedSmilesMolHolder jarg1_,
long jarg2) |
static long |
CachedSmilesMolHolder_getMols__SWIG_0(long jarg1,
CachedSmilesMolHolder jarg1_) |
static long |
CachedSmilesMolHolder_size(long jarg1,
CachedSmilesMolHolder jarg1_) |
static long |
CachedSmilesMolHolder_SWIGSmartPtrUpcast(long jarg1) |
static long |
CachedTrustedSmilesMolHolder_addMol(long jarg1,
CachedTrustedSmilesMolHolder jarg1_,
long jarg2,
ROMol jarg2_) |
static long |
CachedTrustedSmilesMolHolder_addSmiles(long jarg1,
CachedTrustedSmilesMolHolder jarg1_,
java.lang.String jarg2) |
static long |
CachedTrustedSmilesMolHolder_getMol(long jarg1,
CachedTrustedSmilesMolHolder jarg1_,
long jarg2) |
static long |
CachedTrustedSmilesMolHolder_getMols__SWIG_0(long jarg1,
CachedTrustedSmilesMolHolder jarg1_) |
static long |
CachedTrustedSmilesMolHolder_size(long jarg1,
CachedTrustedSmilesMolHolder jarg1_) |
static long |
CachedTrustedSmilesMolHolder_SWIGSmartPtrUpcast(long jarg1) |
static double |
calcAMW__SWIG_0(long jarg1,
ROMol jarg1_,
boolean jarg2) |
static double |
calcAMW__SWIG_1(long jarg1,
ROMol jarg1_) |
static void |
calcAngleBendGrad(long jarg1,
Point3D jarg1_,
long jarg2,
long jarg3,
long jarg4,
long jarg5,
long jarg6) |
static double |
calcAngleForceConstant(double jarg1,
double jarg2,
double jarg3,
long jarg4,
AtomicParams jarg4_,
long jarg5,
AtomicParams jarg5_,
long jarg6,
AtomicParams jarg6_) |
static boolean |
CalcBitmapAllProbeBitsMatch(long jarg1,
long jarg2,
long jarg3) |
static double |
CalcBitmapDice(long jarg1,
long jarg2,
long jarg3) |
static long |
CalcBitmapPopcount(long jarg1,
long jarg2) |
static double |
CalcBitmapTanimoto(long jarg1,
long jarg2,
long jarg3) |
static double |
CalcBitmapTversky(long jarg1,
long jarg2,
long jarg3,
double jarg4,
double jarg5) |
static double |
calcBondForceConstant(double jarg1,
long jarg2,
AtomicParams jarg2_,
long jarg3,
AtomicParams jarg3_) |
static double |
calcBondRestLength(double jarg1,
long jarg2,
AtomicParams jarg2_,
long jarg3,
AtomicParams jarg3_) |
static double |
calcChi0n__SWIG_0(long jarg1,
ROMol jarg1_,
boolean jarg2) |
static double |
calcChi0n__SWIG_1(long jarg1,
ROMol jarg1_) |
static double |
calcChi0v__SWIG_0(long jarg1,
ROMol jarg1_,
boolean jarg2) |
static double |
calcChi0v__SWIG_1(long jarg1,
ROMol jarg1_) |
static double |
calcChi1n__SWIG_0(long jarg1,
ROMol jarg1_,
boolean jarg2) |
static double |
calcChi1n__SWIG_1(long jarg1,
ROMol jarg1_) |
static double |
calcChi1v__SWIG_0(long jarg1,
ROMol jarg1_,
boolean jarg2) |
static double |
calcChi1v__SWIG_1(long jarg1,
ROMol jarg1_) |
static double |
calcChi2n__SWIG_0(long jarg1,
ROMol jarg1_,
boolean jarg2) |
static double |
calcChi2n__SWIG_1(long jarg1,
ROMol jarg1_) |
static double |
calcChi2v__SWIG_0(long jarg1,
ROMol jarg1_,
boolean jarg2) |
static double |
calcChi2v__SWIG_1(long jarg1,
ROMol jarg1_) |
static double |
calcChi3n__SWIG_0(long jarg1,
ROMol jarg1_,
boolean jarg2) |
static double |
calcChi3n__SWIG_1(long jarg1,
ROMol jarg1_) |
static double |
calcChi3v__SWIG_0(long jarg1,
ROMol jarg1_,
boolean jarg2) |
static double |
calcChi3v__SWIG_1(long jarg1,
ROMol jarg1_) |
static double |
calcChi4n__SWIG_0(long jarg1,
ROMol jarg1_,
boolean jarg2) |
static double |
calcChi4n__SWIG_1(long jarg1,
ROMol jarg1_) |
static double |
calcChi4v__SWIG_0(long jarg1,
ROMol jarg1_,
boolean jarg2) |
static double |
calcChi4v__SWIG_1(long jarg1,
ROMol jarg1_) |
static double |
calcChiNn__SWIG_0(long jarg1,
ROMol jarg1_,
long jarg2,
boolean jarg3) |
static double |
calcChiNn__SWIG_1(long jarg1,
ROMol jarg1_,
long jarg2) |
static double |
calcChiNv__SWIG_0(long jarg1,
ROMol jarg1_,
long jarg2,
boolean jarg3) |
static double |
calcChiNv__SWIG_1(long jarg1,
ROMol jarg1_,
long jarg2) |
static long |
calcCrippenDescriptors__SWIG_0(long jarg1,
ROMol jarg1_,
boolean jarg2,
boolean jarg3) |
static long |
calcCrippenDescriptors__SWIG_1(long jarg1,
ROMol jarg1_,
boolean jarg2) |
static long |
calcCrippenDescriptors__SWIG_2(long jarg1,
ROMol jarg1_) |
static long |
calcCustomProp_VSA__SWIG_0(long jarg1,
ROMol jarg1_,
java.lang.String jarg2,
long jarg3,
Double_Vect jarg3_,
boolean jarg4) |
static long |
calcCustomProp_VSA__SWIG_1(long jarg1,
ROMol jarg1_,
java.lang.String jarg2,
long jarg3,
Double_Vect jarg3_) |
static double |
calcExactMW__SWIG_0(long jarg1,
ROMol jarg1_,
boolean jarg2) |
static double |
calcExactMW__SWIG_1(long jarg1,
ROMol jarg1_) |
static double |
calcFractionCSP3(long jarg1,
ROMol jarg1_) |
static double |
calcHallKierAlpha__SWIG_0(long jarg1,
ROMol jarg1_,
long jarg2,
Double_Vect jarg2_) |
static double |
calcHallKierAlpha__SWIG_1(long jarg1,
ROMol jarg1_) |
static long |
calcInversionCoefficientsAndForceConstant(int jarg1,
boolean jarg2) |
static double |
calcKappa1(long jarg1,
ROMol jarg1_) |
static double |
calcKappa2(long jarg1,
ROMol jarg1_) |
static double |
calcKappa3(long jarg1,
ROMol jarg1_) |
static double |
calcLabuteASA__SWIG_0(long jarg1,
ROMol jarg1_,
boolean jarg2,
boolean jarg3) |
static double |
calcLabuteASA__SWIG_1(long jarg1,
ROMol jarg1_,
boolean jarg2) |
static double |
calcLabuteASA__SWIG_2(long jarg1,
ROMol jarg1_) |
static long |
calcLipinskiHBA(long jarg1,
ROMol jarg1_) |
static long |
calcLipinskiHBD(long jarg1,
ROMol jarg1_) |
static java.lang.String |
calcMolFormula__SWIG_0(long jarg1,
ROMol jarg1_,
boolean jarg2,
boolean jarg3) |
static java.lang.String |
calcMolFormula__SWIG_1(long jarg1,
ROMol jarg1_,
boolean jarg2) |
static java.lang.String |
calcMolFormula__SWIG_2(long jarg1,
ROMol jarg1_) |
static double |
calcMolLogP(long jarg1,
ROMol jarg1_) |
static double |
calcMolMR(long jarg1,
ROMol jarg1_) |
static long |
calcMQNs__SWIG_0(long jarg1,
ROMol jarg1_,
boolean jarg2) |
static long |
calcMQNs__SWIG_1(long jarg1,
ROMol jarg1_) |
static double |
calcNonbondedDepth(long jarg1,
AtomicParams jarg1_,
long jarg2,
AtomicParams jarg2_) |
static double |
calcNonbondedMinimum(long jarg1,
AtomicParams jarg1_,
long jarg2,
AtomicParams jarg2_) |
static long |
calcNumAliphaticCarbocycles(long jarg1,
ROMol jarg1_) |
static long |
calcNumAliphaticHeterocycles(long jarg1,
ROMol jarg1_) |
static long |
calcNumAliphaticRings(long jarg1,
ROMol jarg1_) |
static long |
calcNumAmideBonds(long jarg1,
ROMol jarg1_) |
static long |
calcNumAromaticCarbocycles(long jarg1,
ROMol jarg1_) |
static long |
calcNumAromaticHeterocycles(long jarg1,
ROMol jarg1_) |
static long |
calcNumAromaticRings(long jarg1,
ROMol jarg1_) |
static long |
calcNumBridgeheadAtoms__SWIG_0(long jarg1,
ROMol jarg1_,
long jarg2,
UInt_Vect jarg2_) |
static long |
calcNumBridgeheadAtoms__SWIG_1(long jarg1,
ROMol jarg1_) |
static long |
calcNumHBA(long jarg1,
ROMol jarg1_) |
static long |
calcNumHBD(long jarg1,
ROMol jarg1_) |
static long |
calcNumHeteroatoms(long jarg1,
ROMol jarg1_) |
static long |
calcNumHeterocycles(long jarg1,
ROMol jarg1_) |
static long |
calcNumRings(long jarg1,
ROMol jarg1_) |
static long |
calcNumRotatableBonds__SWIG_0(long jarg1,
ROMol jarg1_,
int jarg2) |
static long |
calcNumRotatableBonds__SWIG_1(long jarg1,
ROMol jarg1_) |
static long |
calcNumRotatableBonds__SWIG_2(long jarg1,
ROMol jarg1_,
boolean jarg2) |
static long |
calcNumSaturatedCarbocycles(long jarg1,
ROMol jarg1_) |
static long |
calcNumSaturatedHeterocycles(long jarg1,
ROMol jarg1_) |
static long |
calcNumSaturatedRings(long jarg1,
ROMol jarg1_) |
static long |
calcNumSpiroAtoms__SWIG_0(long jarg1,
ROMol jarg1_,
long jarg2,
UInt_Vect jarg2_) |
static long |
calcNumSpiroAtoms__SWIG_1(long jarg1,
ROMol jarg1_) |
static long |
calcPathDiscriminators(long jarg1,
ROMol jarg1_,
long jarg2,
Int_Vect jarg2_) |
static long |
calcPEOE_VSA__SWIG_0(long jarg1,
ROMol jarg1_,
long jarg2,
Double_Vect jarg2_,
boolean jarg3) |
static long |
calcPEOE_VSA__SWIG_1(long jarg1,
ROMol jarg1_,
long jarg2,
Double_Vect jarg2_) |
static long |
calcPEOE_VSA__SWIG_2(long jarg1,
ROMol jarg1_) |
static long |
calcSlogP_VSA__SWIG_0(long jarg1,
ROMol jarg1_,
long jarg2,
Double_Vect jarg2_,
boolean jarg3) |
static long |
calcSlogP_VSA__SWIG_1(long jarg1,
ROMol jarg1_,
long jarg2,
Double_Vect jarg2_) |
static long |
calcSlogP_VSA__SWIG_2(long jarg1,
ROMol jarg1_) |
static long |
calcSMR_VSA__SWIG_0(long jarg1,
ROMol jarg1_,
long jarg2,
Double_Vect jarg2_,
boolean jarg3) |
static long |
calcSMR_VSA__SWIG_1(long jarg1,
ROMol jarg1_,
long jarg2,
Double_Vect jarg2_) |
static long |
calcSMR_VSA__SWIG_2(long jarg1,
ROMol jarg1_) |
static void |
calcTorsionGrad(long jarg1,
Point3D jarg1_,
long jarg2,
Point3D jarg2_,
long jarg3,
long jarg4,
long jarg5,
long jarg6) |
static double |
calcTPSA__SWIG_0(long jarg1,
ROMol jarg1_,
boolean jarg2,
boolean jarg3) |
static double |
calcTPSA__SWIG_1(long jarg1,
ROMol jarg1_,
boolean jarg2) |
static double |
calcTPSA__SWIG_2(long jarg1,
ROMol jarg1_) |
static double |
calculateCosTorsion(long jarg1,
Point3D jarg1_,
long jarg2,
Point3D jarg2_,
long jarg3,
Point3D jarg3_,
long jarg4,
Point3D jarg4_) |
static double |
calculateCosY(long jarg1,
Point3D jarg1_,
long jarg2,
Point3D jarg2_,
long jarg3,
Point3D jarg3_,
long jarg4,
Point3D jarg4_) |
static void |
canonicalizeConformer__SWIG_0(long jarg1,
Conformer jarg1_,
long jarg2,
Point3D jarg2_,
boolean jarg3,
boolean jarg4) |
static void |
canonicalizeConformer__SWIG_1(long jarg1,
Conformer jarg1_,
long jarg2,
Point3D jarg2_,
boolean jarg3) |
static void |
canonicalizeConformer__SWIG_2(long jarg1,
Conformer jarg1_,
long jarg2,
Point3D jarg2_) |
static void |
canonicalizeConformer__SWIG_3(long jarg1,
Conformer jarg1_) |
static void |
canonicalizeFragment__SWIG_0(long jarg1,
ROMol jarg1_,
int jarg2,
long jarg3,
long jarg4,
UInt_Vect jarg4_,
long jarg5,
long jarg6,
long jarg7,
Str_Vect jarg7_,
boolean jarg8,
boolean jarg9) |
static void |
canonicalizeFragment__SWIG_1(long jarg1,
ROMol jarg1_,
int jarg2,
long jarg3,
long jarg4,
UInt_Vect jarg4_,
long jarg5,
long jarg6,
long jarg7,
Str_Vect jarg7_,
boolean jarg8) |
static void |
canonicalizeFragment__SWIG_2(long jarg1,
ROMol jarg1_,
int jarg2,
long jarg3,
long jarg4,
UInt_Vect jarg4_,
long jarg5,
long jarg6,
long jarg7,
Str_Vect jarg7_) |
static void |
canonicalizeFragment__SWIG_3(long jarg1,
ROMol jarg1_,
int jarg2,
long jarg3,
long jarg4,
UInt_Vect jarg4_,
long jarg5,
long jarg6) |
static void |
canonicalizeFragment__SWIG_4(long jarg1,
ROMol jarg1_,
int jarg2,
long jarg3,
long jarg4,
UInt_Vect jarg4_,
long jarg5) |
static void |
canonicalizeMol__SWIG_0(long jarg1,
ROMol jarg1_,
boolean jarg2,
boolean jarg3) |
static void |
canonicalizeMol__SWIG_1(long jarg1,
ROMol jarg1_,
boolean jarg2) |
static void |
canonicalizeMol__SWIG_2(long jarg1,
ROMol jarg1_) |
static java.lang.String |
CatalogParams_getTypeStr(long jarg1,
CatalogParams jarg1_) |
static void |
CatalogParams_initFromStream(long jarg1,
CatalogParams jarg1_,
long jarg2) |
static void |
CatalogParams_initFromString(long jarg1,
CatalogParams jarg1_,
java.lang.String jarg2) |
static java.lang.String |
CatalogParams_Serialize(long jarg1,
CatalogParams jarg1_) |
static void |
CatalogParams_setTypeStr(long jarg1,
CatalogParams jarg1_,
java.lang.String jarg2) |
static void |
CatalogParams_toStream(long jarg1,
CatalogParams jarg1_,
long jarg2) |
static long |
chargeParent__SWIG_0(long jarg1,
RWMol jarg1_,
long jarg2,
CleanupParameters jarg2_,
boolean jarg3) |
static long |
chargeParent__SWIG_1(long jarg1,
RWMol jarg1_,
long jarg2,
CleanupParameters jarg2_) |
static long |
chargeParent__SWIG_2(long jarg1,
RWMol jarg1_) |
static long |
checkMol__SWIG_0(long jarg1,
long jarg2,
ROMol jarg2_) |
static long |
checkMol__SWIG_1(long jarg1,
java.lang.String jarg2,
boolean jarg3) |
static long |
checkMolString(java.lang.String jarg1,
boolean jarg2) |
static long |
ChemicalReaction_addAgentTemplate(long jarg1,
ChemicalReaction jarg1_,
long jarg2,
ROMol jarg2_) |
static long |
ChemicalReaction_addProductTemplate(long jarg1,
ChemicalReaction jarg1_,
long jarg2,
ROMol jarg2_) |
static long |
ChemicalReaction_addReactantTemplate(long jarg1,
ChemicalReaction jarg1_,
long jarg2,
ROMol jarg2_) |
static long |
ChemicalReaction_beginAgentTemplates__SWIG_0(long jarg1,
ChemicalReaction jarg1_) |
static long |
ChemicalReaction_beginProductTemplates__SWIG_0(long jarg1,
ChemicalReaction jarg1_) |
static long |
ChemicalReaction_beginReactantTemplates__SWIG_0(long jarg1,
ChemicalReaction jarg1_) |
static void |
ChemicalReaction_compute2DCoordsForReaction(long jarg1,
ChemicalReaction jarg1_,
double jarg2,
boolean jarg3,
boolean jarg4,
long jarg5,
long jarg6,
int jarg7,
boolean jarg8) |
static long |
ChemicalReaction_endAgentTemplates__SWIG_0(long jarg1,
ChemicalReaction jarg1_) |
static long |
ChemicalReaction_endProductTemplates__SWIG_0(long jarg1,
ChemicalReaction jarg1_) |
static long |
ChemicalReaction_endReactantTemplates__SWIG_0(long jarg1,
ChemicalReaction jarg1_) |
static long |
ChemicalReaction_getAgents(long jarg1,
ChemicalReaction jarg1_) |
static boolean |
ChemicalReaction_getImplicitPropertiesFlag(long jarg1,
ChemicalReaction jarg1_) |
static long |
ChemicalReaction_getNumAgentTemplates(long jarg1,
ChemicalReaction jarg1_) |
static long |
ChemicalReaction_getNumProductTemplates(long jarg1,
ChemicalReaction jarg1_) |
static long |
ChemicalReaction_getNumReactantTemplates(long jarg1,
ChemicalReaction jarg1_) |
static long |
ChemicalReaction_getProducts(long jarg1,
ChemicalReaction jarg1_) |
static long |
ChemicalReaction_getReactants(long jarg1,
ChemicalReaction jarg1_) |
static void |
ChemicalReaction_initReactantMatchers(long jarg1,
ChemicalReaction jarg1_) |
static boolean |
ChemicalReaction_isInitialized(long jarg1,
ChemicalReaction jarg1_) |
static long |
ChemicalReaction_ReactionFromRxnBlock(java.lang.String jarg1) |
static long |
ChemicalReaction_ReactionFromRxnFile(java.lang.String jarg1) |
static long |
ChemicalReaction_ReactionFromSmarts__SWIG_0(java.lang.String jarg1,
boolean jarg2) |
static long |
ChemicalReaction_ReactionFromSmarts__SWIG_1(java.lang.String jarg1) |
static java.lang.String |
ChemicalReaction_ReactionToRxnBlock(long jarg1,
ChemicalReaction jarg1_) |
static java.lang.String |
ChemicalReaction_ReactionToSmarts(long jarg1,
ChemicalReaction jarg1_) |
static long |
ChemicalReaction_ReduceProductToSideChains__SWIG_0(long jarg1,
ROMol jarg1_,
boolean jarg2) |
static long |
ChemicalReaction_ReduceProductToSideChains__SWIG_1(long jarg1,
ROMol jarg1_) |
static void |
ChemicalReaction_removeAgentTemplates__SWIG_0(long jarg1,
ChemicalReaction jarg1_,
long jarg2,
ROMol_Vect jarg2_) |
static void |
ChemicalReaction_removeAgentTemplates__SWIG_1(long jarg1,
ChemicalReaction jarg1_) |
static void |
ChemicalReaction_removeUnmappedProductTemplates__SWIG_0(long jarg1,
ChemicalReaction jarg1_,
double jarg2,
boolean jarg3,
long jarg4,
ROMol_Vect jarg4_) |
static void |
ChemicalReaction_removeUnmappedProductTemplates__SWIG_1(long jarg1,
ChemicalReaction jarg1_,
double jarg2,
boolean jarg3) |
static void |
ChemicalReaction_removeUnmappedProductTemplates__SWIG_2(long jarg1,
ChemicalReaction jarg1_,
double jarg2) |
static void |
ChemicalReaction_removeUnmappedProductTemplates__SWIG_3(long jarg1,
ChemicalReaction jarg1_) |
static void |
ChemicalReaction_removeUnmappedReactantTemplates__SWIG_0(long jarg1,
ChemicalReaction jarg1_,
double jarg2,
boolean jarg3,
long jarg4,
ROMol_Vect jarg4_) |
static void |
ChemicalReaction_removeUnmappedReactantTemplates__SWIG_1(long jarg1,
ChemicalReaction jarg1_,
double jarg2,
boolean jarg3) |
static void |
ChemicalReaction_removeUnmappedReactantTemplates__SWIG_2(long jarg1,
ChemicalReaction jarg1_,
double jarg2) |
static void |
ChemicalReaction_removeUnmappedReactantTemplates__SWIG_3(long jarg1,
ChemicalReaction jarg1_) |
static long |
ChemicalReaction_runReactant(long jarg1,
ChemicalReaction jarg1_,
long jarg2,
ROMol jarg2_,
long jarg3) |
static long |
ChemicalReaction_runReactants__SWIG_0(long jarg1,
ChemicalReaction jarg1_,
long jarg2,
ROMol_Vect jarg2_,
long jarg3) |
static long |
ChemicalReaction_runReactants__SWIG_1(long jarg1,
ChemicalReaction jarg1_,
long jarg2,
ROMol_Vect jarg2_) |
static long |
ChemicalReaction_RxnFromBinary(long jarg1,
Int_Vect jarg1_) |
static void |
ChemicalReaction_setImplicitPropertiesFlag(long jarg1,
ChemicalReaction jarg1_,
boolean jarg2) |
static long |
ChemicalReaction_SWIGSmartPtrUpcast(long jarg1) |
static long |
ChemicalReaction_ToBinary(long jarg1,
ChemicalReaction jarg1_) |
static boolean |
ChemicalReaction_validate__SWIG_0(long jarg1,
ChemicalReaction jarg1_,
long jarg2,
long jarg3,
boolean jarg4) |
static boolean |
ChemicalReaction_validate__SWIG_1(long jarg1,
ChemicalReaction jarg1_,
long jarg2,
long jarg3) |
static boolean |
ChemicalReaction_validate__SWIG_2(long jarg1,
ChemicalReaction jarg1_) |
static long |
ChemicalReaction_validateReaction__SWIG_0(long jarg1,
ChemicalReaction jarg1_,
boolean jarg2) |
static long |
ChemicalReaction_validateReaction__SWIG_1(long jarg1,
ChemicalReaction jarg1_) |
static java.lang.String |
ChemicalReactionException_message(long jarg1,
ChemicalReactionException jarg1_) |
static java.lang.String |
ChemicalReactionParserException_message(long jarg1,
ChemicalReactionParserException jarg1_) |
static java.lang.String |
ChemicalReactionToRxnBlock__SWIG_0(long jarg1,
ChemicalReaction jarg1_,
boolean jarg2) |
static java.lang.String |
ChemicalReactionToRxnBlock__SWIG_1(long jarg1,
ChemicalReaction jarg1_) |
static long |
ChemicalReactionToRxnMol(long jarg1,
ChemicalReaction jarg1_) |
static java.lang.String |
ChemicalReactionToRxnSmarts(long jarg1,
ChemicalReaction jarg1_) |
static java.lang.String |
ChemicalReactionToRxnSmiles__SWIG_0(long jarg1,
ChemicalReaction jarg1_,
boolean jarg2) |
static java.lang.String |
ChemicalReactionToRxnSmiles__SWIG_1(long jarg1,
ChemicalReaction jarg1_) |
static java.lang.String |
chi0nVersion_get() |
static java.lang.String |
chi0vVersion_get() |
static java.lang.String |
chi1nVersion_get() |
static java.lang.String |
chi1vVersion_get() |
static java.lang.String |
chi2nVersion_get() |
static java.lang.String |
chi2vVersion_get() |
static java.lang.String |
chi3nVersion_get() |
static java.lang.String |
chi3vVersion_get() |
static java.lang.String |
chi4nVersion_get() |
static java.lang.String |
chi4vVersion_get() |
static java.lang.String |
chiNnVersion_get() |
static java.lang.String |
chiNvVersion_get() |
static boolean |
chiralAtomNeedsTagInversion(long jarg1,
ROMol jarg1_,
long jarg2,
Atom jarg2_,
boolean jarg3,
long jarg4) |
static long |
ChiralSet_d_idx0_get(long jarg1,
ChiralSet jarg1_) |
static void |
ChiralSet_d_idx0_set(long jarg1,
ChiralSet jarg1_,
long jarg2) |
static long |
ChiralSet_d_idx1_get(long jarg1,
ChiralSet jarg1_) |
static void |
ChiralSet_d_idx1_set(long jarg1,
ChiralSet jarg1_,
long jarg2) |
static long |
ChiralSet_d_idx2_get(long jarg1,
ChiralSet jarg1_) |
static void |
ChiralSet_d_idx2_set(long jarg1,
ChiralSet jarg1_,
long jarg2) |
static long |
ChiralSet_d_idx3_get(long jarg1,
ChiralSet jarg1_) |
static void |
ChiralSet_d_idx3_set(long jarg1,
ChiralSet jarg1_,
long jarg2) |
static long |
ChiralSet_d_idx4_get(long jarg1,
ChiralSet jarg1_) |
static void |
ChiralSet_d_idx4_set(long jarg1,
ChiralSet jarg1_,
long jarg2) |
static double |
ChiralSet_d_volumeLowerBound_get(long jarg1,
ChiralSet jarg1_) |
static void |
ChiralSet_d_volumeLowerBound_set(long jarg1,
ChiralSet jarg1_,
double jarg2) |
static double |
ChiralSet_d_volumeUpperBound_get(long jarg1,
ChiralSet jarg1_) |
static void |
ChiralSet_d_volumeUpperBound_set(long jarg1,
ChiralSet jarg1_,
double jarg2) |
static double |
ChiralSet_getLowerVolumeBound(long jarg1,
ChiralSet jarg1_) |
static double |
ChiralSet_getUpperVolumeBound(long jarg1,
ChiralSet jarg1_) |
static int |
ci_ATOM_HOLDER_get() |
static int |
ci_BITVECT_VERSION_get() |
static int |
ci_LEADING_BOND_get() |
static int |
ci_LOCAL_INF_get() |
static int |
ci_RIGHTMOST_ATOM_get() |
static int |
ci_SPARSEINTVECT_VERSION_get() |
static long |
cleanup__SWIG_0(long jarg1,
RWMol jarg1_,
long jarg2,
CleanupParameters jarg2_) |
static long |
cleanup__SWIG_1(long jarg1,
RWMol jarg1_) |
static void |
cleanUp(long jarg1,
RWMol jarg1_) |
static void |
cleanupChirality(long jarg1,
RWMol jarg1_) |
static java.lang.String |
CleanupParameters_acidbaseFile_get(long jarg1,
CleanupParameters jarg1_) |
static void |
CleanupParameters_acidbaseFile_set(long jarg1,
CleanupParameters jarg1_,
java.lang.String jarg2) |
static boolean |
CleanupParameters_doCanonical_get(long jarg1,
CleanupParameters jarg1_) |
static void |
CleanupParameters_doCanonical_set(long jarg1,
CleanupParameters jarg1_,
boolean jarg2) |
static java.lang.String |
CleanupParameters_fragmentFile_get(long jarg1,
CleanupParameters jarg1_) |
static void |
CleanupParameters_fragmentFile_set(long jarg1,
CleanupParameters jarg1_,
java.lang.String jarg2) |
static int |
CleanupParameters_maxRestarts_get(long jarg1,
CleanupParameters jarg1_) |
static void |
CleanupParameters_maxRestarts_set(long jarg1,
CleanupParameters jarg1_,
int jarg2) |
static int |
CleanupParameters_maxTautomers_get(long jarg1,
CleanupParameters jarg1_) |
static void |
CleanupParameters_maxTautomers_set(long jarg1,
CleanupParameters jarg1_,
int jarg2) |
static java.lang.String |
CleanupParameters_normalizations_get(long jarg1,
CleanupParameters jarg1_) |
static void |
CleanupParameters_normalizations_set(long jarg1,
CleanupParameters jarg1_,
java.lang.String jarg2) |
static boolean |
CleanupParameters_preferOrganic_get(long jarg1,
CleanupParameters jarg1_) |
static void |
CleanupParameters_preferOrganic_set(long jarg1,
CleanupParameters jarg1_,
boolean jarg2) |
static java.lang.String |
CleanupParameters_rdbase_get(long jarg1,
CleanupParameters jarg1_) |
static void |
CleanupParameters_rdbase_set(long jarg1,
CleanupParameters jarg1_,
java.lang.String jarg2) |
static java.lang.String |
CleanupParameters_tautomerTransforms_get(long jarg1,
CleanupParameters jarg1_) |
static void |
CleanupParameters_tautomerTransforms_set(long jarg1,
CleanupParameters jarg1_,
java.lang.String jarg2) |
static void |
clipToOne(long jarg1) |
static void |
closeCheckMolFiles() |
static long |
codeSize_get() |
static void |
collectBondsAndAngles(long jarg1,
ROMol jarg1_,
long jarg2,
Match_Vect jarg2_,
long jarg3,
Int_Vect_Vect jarg3_) |
static void |
ColourPalette_clear(long jarg1,
ColourPalette jarg1_) |
static void |
ColourPalette_del(long jarg1,
ColourPalette jarg1_,
int jarg2) |
static boolean |
ColourPalette_empty(long jarg1,
ColourPalette jarg1_) |
static long |
ColourPalette_get(long jarg1,
ColourPalette jarg1_,
int jarg2) |
static boolean |
ColourPalette_has_key(long jarg1,
ColourPalette jarg1_,
int jarg2) |
static void |
ColourPalette_set(long jarg1,
ColourPalette jarg1_,
int jarg2,
long jarg3,
DrawColour jarg3_) |
static long |
ColourPalette_size(long jarg1,
ColourPalette jarg1_) |
static long |
combineMols__SWIG_0(long jarg1,
ROMol jarg1_,
long jarg2,
ROMol jarg2_,
long jarg3,
Point3D jarg3_) |
static long |
combineMols__SWIG_1(long jarg1,
ROMol jarg1_,
long jarg2,
ROMol jarg2_) |
static void |
compute2DCoordsForReaction__SWIG_0(long jarg1,
ChemicalReaction jarg1_,
double jarg2,
boolean jarg3,
boolean jarg4,
long jarg5,
long jarg6,
int jarg7,
boolean jarg8) |
static void |
compute2DCoordsForReaction__SWIG_1(long jarg1,
ChemicalReaction jarg1_,
double jarg2,
boolean jarg3,
boolean jarg4,
long jarg5,
long jarg6,
int jarg7) |
static void |
compute2DCoordsForReaction__SWIG_2(long jarg1,
ChemicalReaction jarg1_,
double jarg2,
boolean jarg3,
boolean jarg4,
long jarg5,
long jarg6) |
static void |
compute2DCoordsForReaction__SWIG_3(long jarg1,
ChemicalReaction jarg1_,
double jarg2,
boolean jarg3,
boolean jarg4,
long jarg5) |
static void |
compute2DCoordsForReaction__SWIG_4(long jarg1,
ChemicalReaction jarg1_,
double jarg2,
boolean jarg3,
boolean jarg4) |
static void |
compute2DCoordsForReaction__SWIG_5(long jarg1,
ChemicalReaction jarg1_,
double jarg2,
boolean jarg3) |
static void |
compute2DCoordsForReaction__SWIG_6(long jarg1,
ChemicalReaction jarg1_,
double jarg2) |
static void |
compute2DCoordsForReaction__SWIG_7(long jarg1,
ChemicalReaction jarg1_) |
static double |
computeBalabanJ__SWIG_0(long jarg1,
ROMol jarg1_,
boolean jarg2,
boolean jarg3,
long jarg4,
Int_Vect jarg4_,
boolean jarg5) |
static double |
computeBalabanJ__SWIG_1(long jarg1,
ROMol jarg1_,
boolean jarg2,
boolean jarg3,
long jarg4,
Int_Vect jarg4_) |
static double |
computeBalabanJ__SWIG_2(long jarg1,
ROMol jarg1_,
boolean jarg2,
boolean jarg3) |
static double |
computeBalabanJ__SWIG_3(long jarg1,
ROMol jarg1_,
boolean jarg2) |
static double |
computeBalabanJ__SWIG_4(long jarg1,
ROMol jarg1_) |
static double |
computeBalabanJ__SWIG_5(long jarg1,
int jarg2,
int jarg3) |
static long |
computeCanonicalTransform__SWIG_0(long jarg1,
Conformer jarg1_,
long jarg2,
Point3D jarg2_,
boolean jarg3,
boolean jarg4) |
static long |
computeCanonicalTransform__SWIG_1(long jarg1,
Conformer jarg1_,
long jarg2,
Point3D jarg2_,
boolean jarg3) |
static long |
computeCanonicalTransform__SWIG_2(long jarg1,
Conformer jarg1_,
long jarg2,
Point3D jarg2_) |
static long |
computeCanonicalTransform__SWIG_3(long jarg1,
Conformer jarg1_) |
static long |
computeCentroid__SWIG_0(long jarg1,
Conformer jarg1_,
boolean jarg2) |
static long |
computeCentroid__SWIG_1(long jarg1,
Conformer jarg1_) |
static void |
computeDihedral__SWIG_0(long jarg1,
Point_Vect jarg1_,
long jarg2,
long jarg3,
long jarg4,
long jarg5,
long jarg6,
long jarg7,
long jarg8,
Point3D jarg8_,
long jarg9,
Point3D jarg9_,
long jarg10) |
static void |
computeDihedral__SWIG_1(long jarg1,
Point_Vect jarg1_,
long jarg2,
long jarg3,
long jarg4,
long jarg5,
long jarg6,
long jarg7,
long jarg8,
Point3D jarg8_,
long jarg9,
Point3D jarg9_) |
static void |
computeDihedral__SWIG_10(long jarg1,
long jarg2,
long jarg3,
long jarg4,
long jarg5,
long jarg6) |
static void |
computeDihedral__SWIG_11(long jarg1,
long jarg2,
long jarg3,
long jarg4,
long jarg5) |
static void |
computeDihedral__SWIG_12(long jarg1,
Point3D jarg1_,
long jarg2,
Point3D jarg2_,
long jarg3,
Point3D jarg3_,
long jarg4,
Point3D jarg4_,
long jarg5,
long jarg6,
long jarg7,
Point3D jarg7_,
long jarg8,
Point3D jarg8_,
long jarg9) |
static void |
computeDihedral__SWIG_13(long jarg1,
Point3D jarg1_,
long jarg2,
Point3D jarg2_,
long jarg3,
Point3D jarg3_,
long jarg4,
Point3D jarg4_,
long jarg5,
long jarg6,
long jarg7,
Point3D jarg7_,
long jarg8,
Point3D jarg8_) |
static void |
computeDihedral__SWIG_14(long jarg1,
Point3D jarg1_,
long jarg2,
Point3D jarg2_,
long jarg3,
Point3D jarg3_,
long jarg4,
Point3D jarg4_,
long jarg5,
long jarg6,
long jarg7,
Point3D jarg7_) |
static void |
computeDihedral__SWIG_15(long jarg1,
Point3D jarg1_,
long jarg2,
Point3D jarg2_,
long jarg3,
Point3D jarg3_,
long jarg4,
Point3D jarg4_,
long jarg5,
long jarg6) |
static void |
computeDihedral__SWIG_16(long jarg1,
Point3D jarg1_,
long jarg2,
Point3D jarg2_,
long jarg3,
Point3D jarg3_,
long jarg4,
Point3D jarg4_,
long jarg5) |
static void |
computeDihedral__SWIG_17(long jarg1,
Point3D jarg1_,
long jarg2,
Point3D jarg2_,
long jarg3,
Point3D jarg3_,
long jarg4,
Point3D jarg4_) |
static void |
computeDihedral__SWIG_2(long jarg1,
Point_Vect jarg1_,
long jarg2,
long jarg3,
long jarg4,
long jarg5,
long jarg6,
long jarg7,
long jarg8,
Point3D jarg8_) |
static void |
computeDihedral__SWIG_3(long jarg1,
Point_Vect jarg1_,
long jarg2,
long jarg3,
long jarg4,
long jarg5,
long jarg6,
long jarg7) |
static void |
computeDihedral__SWIG_4(long jarg1,
Point_Vect jarg1_,
long jarg2,
long jarg3,
long jarg4,
long jarg5,
long jarg6) |
static void |
computeDihedral__SWIG_5(long jarg1,
Point_Vect jarg1_,
long jarg2,
long jarg3,
long jarg4,
long jarg5) |
static void |
computeDihedral__SWIG_6(long jarg1,
long jarg2,
long jarg3,
long jarg4,
long jarg5,
long jarg6,
long jarg7,
long jarg8,
Point3D jarg8_,
long jarg9,
Point3D jarg9_,
long jarg10) |
static void |
computeDihedral__SWIG_7(long jarg1,
long jarg2,
long jarg3,
long jarg4,
long jarg5,
long jarg6,
long jarg7,
long jarg8,
Point3D jarg8_,
long jarg9,
Point3D jarg9_) |
static void |
computeDihedral__SWIG_8(long jarg1,
long jarg2,
long jarg3,
long jarg4,
long jarg5,
long jarg6,
long jarg7,
long jarg8,
Point3D jarg8_) |
static void |
computeDihedral__SWIG_9(long jarg1,
long jarg2,
long jarg3,
long jarg4,
long jarg5,
long jarg6,
long jarg7) |
static double |
computeDihedralAngle(long jarg1,
Point3D jarg1_,
long jarg2,
Point3D jarg2_,
long jarg3,
Point3D jarg3_,
long jarg4,
Point3D jarg4_) |
static java.lang.String |
computedPropName_get() |
static int |
ComputedProps_get() |
static boolean |
computeInitialCoords__SWIG_0(long jarg1,
DoubleSymmMatrix jarg1_,
long jarg2,
Point_Vect jarg2_,
boolean jarg3,
long jarg4,
int jarg5) |
static boolean |
computeInitialCoords__SWIG_1(long jarg1,
DoubleSymmMatrix jarg1_,
long jarg2,
Point_Vect jarg2_,
boolean jarg3,
long jarg4) |
static boolean |
computeInitialCoords__SWIG_2(long jarg1,
DoubleSymmMatrix jarg1_,
long jarg2,
Point_Vect jarg2_,
boolean jarg3) |
static boolean |
computeInitialCoords__SWIG_3(long jarg1,
DoubleSymmMatrix jarg1_,
long jarg2,
Point_Vect jarg2_) |
static boolean |
computeInitialCoords__SWIG_4(long jarg1,
DoubleSymmMatrix jarg1_,
long jarg2,
Point_Vect jarg2_,
long jarg3,
boolean jarg4,
long jarg5) |
static boolean |
computeInitialCoords__SWIG_5(long jarg1,
DoubleSymmMatrix jarg1_,
long jarg2,
Point_Vect jarg2_,
long jarg3,
boolean jarg4) |
static boolean |
computeInitialCoords__SWIG_6(long jarg1,
DoubleSymmMatrix jarg1_,
long jarg2,
Point_Vect jarg2_,
long jarg3) |
static boolean |
computeRandomCoords__SWIG_0(long jarg1,
Point_Vect jarg1_,
double jarg2,
int jarg3) |
static boolean |
computeRandomCoords__SWIG_1(long jarg1,
Point_Vect jarg1_,
double jarg2) |
static boolean |
computeRandomCoords__SWIG_2(long jarg1,
Point_Vect jarg1_,
double jarg2,
long jarg3) |
static double |
computeSignedDihedralAngle(long jarg1,
Point3D jarg1_,
long jarg2,
Point3D jarg2_,
long jarg3,
Point3D jarg3_,
long jarg4,
Point3D jarg4_) |
static void |
Conformer_canonicalizeConformer__SWIG_0(long jarg1,
Conformer jarg1_,
long jarg2,
Point3D jarg2_,
boolean jarg3,
boolean jarg4) |
static void |
Conformer_canonicalizeConformer__SWIG_1(long jarg1,
Conformer jarg1_,
long jarg2,
Point3D jarg2_,
boolean jarg3) |
static void |
Conformer_canonicalizeConformer__SWIG_2(long jarg1,
Conformer jarg1_,
long jarg2,
Point3D jarg2_) |
static void |
Conformer_canonicalizeConformer__SWIG_3(long jarg1,
Conformer jarg1_) |
static long |
Conformer_computeCanonicalTransform__SWIG_0(long jarg1,
Conformer jarg1_,
long jarg2,
Point3D jarg2_,
boolean jarg3,
boolean jarg4) |
static long |
Conformer_computeCanonicalTransform__SWIG_1(long jarg1,
Conformer jarg1_,
long jarg2,
Point3D jarg2_,
boolean jarg3) |
static long |
Conformer_computeCanonicalTransform__SWIG_2(long jarg1,
Conformer jarg1_,
long jarg2,
Point3D jarg2_) |
static long |
Conformer_computeCanonicalTransform__SWIG_3(long jarg1,
Conformer jarg1_) |
static long |
Conformer_computeCentroid__SWIG_0(long jarg1,
Conformer jarg1_,
boolean jarg2) |
static long |
Conformer_computeCentroid__SWIG_1(long jarg1,
Conformer jarg1_) |
static long |
Conformer_getAtomPos__SWIG_0(long jarg1,
Conformer jarg1_,
long jarg2) |
static long |
Conformer_getId(long jarg1,
Conformer jarg1_) |
static long |
Conformer_getNumAtoms(long jarg1,
Conformer jarg1_) |
static long |
Conformer_getOwningMol(long jarg1,
Conformer jarg1_) |
static long |
Conformer_getPositions__SWIG_0(long jarg1,
Conformer jarg1_) |
static boolean |
Conformer_hasOwningMol(long jarg1,
Conformer jarg1_) |
static boolean |
Conformer_is3D(long jarg1,
Conformer jarg1_) |
static void |
Conformer_reserve(long jarg1,
Conformer jarg1_,
long jarg2) |
static void |
Conformer_resize(long jarg1,
Conformer jarg1_,
long jarg2) |
static void |
Conformer_set3D(long jarg1,
Conformer jarg1_,
boolean jarg2) |
static void |
Conformer_setAtomPos(long jarg1,
Conformer jarg1_,
long jarg2,
long jarg3,
Point3D jarg3_) |
static void |
Conformer_setId(long jarg1,
Conformer jarg1_,
long jarg2) |
static void |
Conformer_transformConformer(long jarg1,
Conformer jarg1_,
long jarg2,
Transform3D jarg2_) |
static java.lang.String |
ConformerException_message(long jarg1,
ConformerException jarg1_) |
static boolean |
ConstBondIterator_eq(long jarg1,
ConstBondIterator jarg1_,
long jarg2,
ConstBondIterator jarg2_) |
static long |
ConstBondIterator_getBond(long jarg1,
ConstBondIterator jarg1_) |
static boolean |
ConstBondIterator_ne(long jarg1,
ConstBondIterator jarg1_,
long jarg2,
ConstBondIterator jarg2_) |
static long |
ConstBondIterator_next__SWIG_0(long jarg1,
ConstBondIterator jarg1_) |
static long |
ConstBondIterator_next__SWIG_1(long jarg1,
ConstBondIterator jarg1_,
int jarg2) |
static long |
ConstBondIterator_prev__SWIG_0(long jarg1,
ConstBondIterator jarg1_) |
static long |
ConstBondIterator_prev__SWIG_1(long jarg1,
ConstBondIterator jarg1_,
int jarg2) |
static long |
construct3DForceField(long jarg1,
BoundsMatrix jarg1_,
long jarg2,
Point3D_Vect jarg2_,
long jarg3) |
static long |
construct3DImproperForceField(long jarg1,
BoundsMatrix jarg1_,
long jarg2,
Point3D_Vect jarg2_,
long jarg3,
Int_Vect_Vect jarg3_,
long jarg4,
Int_Vect jarg4_) |
static long |
constructPlain3DForceField(long jarg1,
BoundsMatrix jarg1_,
long jarg2,
Point3D_Vect jarg2_,
long jarg3) |
static void |
contourAndDrawGaussians__SWIG_0(long jarg1,
MolDraw2D jarg1_,
long jarg2,
long jarg3,
Double_Vect jarg3_,
long jarg4,
Double_Vect jarg4_,
long jarg5,
long jarg6,
Double_Vect jarg6_,
long jarg7,
ContourParams jarg7_) |
static void |
contourAndDrawGaussians__SWIG_1(long jarg1,
MolDraw2D jarg1_,
long jarg2,
long jarg3,
Double_Vect jarg3_,
long jarg4,
Double_Vect jarg4_,
long jarg5,
long jarg6,
Double_Vect jarg6_) |
static void |
contourAndDrawGaussians__SWIG_2(long jarg1,
MolDraw2D jarg1_,
long jarg2,
long jarg3,
Double_Vect jarg3_,
long jarg4,
Double_Vect jarg4_,
long jarg5,
long jarg6,
ContourParams jarg6_) |
static void |
contourAndDrawGaussians__SWIG_3(long jarg1,
MolDraw2D jarg1_,
long jarg2,
long jarg3,
Double_Vect jarg3_,
long jarg4,
Double_Vect jarg4_,
long jarg5) |
static void |
contourAndDrawGaussians__SWIG_4(long jarg1,
MolDraw2D jarg1_,
long jarg2,
long jarg3,
Double_Vect jarg3_,
long jarg4,
Double_Vect jarg4_) |
static void |
contourAndDrawGrid__SWIG_0(long jarg1,
MolDraw2D jarg1_,
long jarg2,
long jarg3,
Double_Vect jarg3_,
long jarg4,
Double_Vect jarg4_,
long jarg5,
long jarg6,
Double_Vect jarg6_,
long jarg7,
ContourParams jarg7_) |
static void |
contourAndDrawGrid__SWIG_1(long jarg1,
MolDraw2D jarg1_,
long jarg2,
long jarg3,
Double_Vect jarg3_,
long jarg4,
Double_Vect jarg4_,
long jarg5,
long jarg6,
Double_Vect jarg6_) |
static void |
contourAndDrawGrid__SWIG_2(long jarg1,
MolDraw2D jarg1_,
long jarg2,
long jarg3,
Double_Vect jarg3_,
long jarg4,
Double_Vect jarg4_,
long jarg5,
long jarg6,
ContourParams jarg6_) |
static void |
contourAndDrawGrid__SWIG_3(long jarg1,
MolDraw2D jarg1_,
long jarg2,
long jarg3,
Double_Vect jarg3_,
long jarg4,
Double_Vect jarg4_,
long jarg5) |
static void |
contourAndDrawGrid__SWIG_4(long jarg1,
MolDraw2D jarg1_,
long jarg2,
long jarg3,
Double_Vect jarg3_,
long jarg4,
Double_Vect jarg4_) |
static long |
ContourParams_colourMap_get(long jarg1,
ContourParams jarg1_) |
static void |
ContourParams_colourMap_set(long jarg1,
ContourParams jarg1_,
long jarg2) |
static long |
ContourParams_contourColour_get(long jarg1,
ContourParams jarg1_) |
static void |
ContourParams_contourColour_set(long jarg1,
ContourParams jarg1_,
long jarg2,
DrawColour jarg2_) |
static double |
ContourParams_contourWidth_get(long jarg1,
ContourParams jarg1_) |
static void |
ContourParams_contourWidth_set(long jarg1,
ContourParams jarg1_,
double jarg2) |
static boolean |
ContourParams_dashNegative_get(long jarg1,
ContourParams jarg1_) |
static void |
ContourParams_dashNegative_set(long jarg1,
ContourParams jarg1_,
boolean jarg2) |
static double |
ContourParams_extraGridPadding_get(long jarg1,
ContourParams jarg1_) |
static void |
ContourParams_extraGridPadding_set(long jarg1,
ContourParams jarg1_,
double jarg2) |
static boolean |
ContourParams_fillGrid_get(long jarg1,
ContourParams jarg1_) |
static void |
ContourParams_fillGrid_set(long jarg1,
ContourParams jarg1_,
boolean jarg2) |
static double |
ContourParams_gridResolution_get(long jarg1,
ContourParams jarg1_) |
static void |
ContourParams_gridResolution_set(long jarg1,
ContourParams jarg1_,
double jarg2) |
static boolean |
ContourParams_setScale_get(long jarg1,
ContourParams jarg1_) |
static void |
ContourParams_setScale_set(long jarg1,
ContourParams jarg1_,
boolean jarg2) |
static void |
convertToBonds(long jarg1,
Int_Vect_Vect jarg1_,
long jarg2,
Int_Vect_Vect jarg2_,
long jarg3,
ROMol jarg3_) |
static long |
convertToExplicit(long jarg1) |
static int |
CORINA_get() |
static double |
CosineSimilarity(long jarg1,
ExplicitBitVect jarg1_,
long jarg2,
ExplicitBitVect jarg2_) |
static int |
countAtomElec(long jarg1,
Atom jarg1_) |
static java.lang.String |
DEFAULT_FILTERMATCHERBASE_NAME_get() |
static void |
DEFAULT_FILTERMATCHERBASE_NAME_set(java.lang.String jarg1) |
static int |
Default_get() |
static long |
defaultCleanupParameters_get() |
static int |
defaultConfId_get() |
static void |
defaultConfId_set(int jarg1) |
static long |
DefaultDifferenceFPParams_get() |
static long |
defaultFeatureSmarts_get() |
static void |
defaultFeatureSmarts_set(long jarg1,
Str_Vect jarg1_) |
static long |
DefaultStructuralFPParams_get() |
static double |
DEG2RAD_get() |
static void |
delete_AdjustQueryParameters(long jarg1) |
static void |
delete_AngleBendContrib(long jarg1) |
static void |
delete_AromaticAtomIterator(long jarg1) |
static void |
delete_Atom_Vect(long jarg1) |
static void |
delete_Atom(long jarg1) |
static void |
delete_Atomic_Params_Vect(long jarg1) |
static void |
delete_atomicData(long jarg1) |
static void |
delete_AtomicParams(long jarg1) |
static void |
delete_AtomIterator(long jarg1) |
static void |
delete_AtomKekulizeException(long jarg1) |
static void |
delete_AtomMonomerInfo(long jarg1) |
static void |
delete_AtomPDBResidueInfo(long jarg1) |
static void |
delete_AtomRingQuery(long jarg1) |
static void |
delete_AtomSanitizeException(long jarg1) |
static void |
delete_AtomValenceException(long jarg1) |
static void |
delete_BitInfoMap(long jarg1) |
static void |
delete_BitVect(long jarg1) |
static void |
delete_Bond_Vect(long jarg1) |
static void |
delete_Bond(long jarg1) |
static void |
delete_BondIterator(long jarg1) |
static void |
delete_BondStretchContrib(long jarg1) |
static void |
delete_BoundsMatrix(long jarg1) |
static void |
delete_Byte_Vect(long jarg1) |
static void |
delete_CachedMolHolder(long jarg1) |
static void |
delete_CachedSmilesMolHolder(long jarg1) |
static void |
delete_CachedTrustedSmilesMolHolder(long jarg1) |
static void |
delete_CatalogParams(long jarg1) |
static void |
delete_charptr_functor(long jarg1) |
static void |
delete_ChemicalReaction(long jarg1) |
static void |
delete_ChemicalReactionException(long jarg1) |
static void |
delete_ChemicalReactionParserException(long jarg1) |
static void |
delete_ChiralSet(long jarg1) |
static void |
delete_CleanupParameters(long jarg1) |
static void |
delete_ColourPalette(long jarg1) |
static void |
delete_Conformer(long jarg1) |
static void |
delete_ConformerException(long jarg1) |
static void |
delete_ConstBondIterator(long jarg1) |
static void |
delete_ContourParams(long jarg1) |
static void |
delete_Dict(long jarg1) |
static void |
delete_DistanceConstraintContrib(long jarg1) |
static void |
delete_DistanceGeom(long jarg1) |
static void |
delete_Double_Array(long jarg1) |
static void |
delete_Double_Pair(long jarg1) |
static void |
delete_Double_Vect(long jarg1) |
static void |
delete_DoubleMatrix(long jarg1) |
static void |
delete_DoubleSquareMatrix(long jarg1) |
static void |
delete_DoubleSymmMatrix(long jarg1) |
static void |
delete_DrawColour(long jarg1) |
static void |
delete_EBV_Vect(long jarg1) |
static void |
delete_EmbedParameters(long jarg1) |
static void |
delete_ExplicitBitVect(long jarg1) |
static void |
delete_ExtraInchiReturnValues(long jarg1) |
static void |
delete_FF_Contrib_Vect(long jarg1) |
static void |
delete_FilterCatalog(long jarg1) |
static void |
delete_FilterCatalogEntry_Vect(long jarg1) |
static void |
delete_FilterCatalogEntry_VectVect(long jarg1) |
static void |
delete_FilterCatalogEntry(long jarg1) |
static void |
delete_FilterCatalogEntryVect(long jarg1) |
static void |
delete_FilterCatalogParams(long jarg1) |
static void |
delete_FilterMatch_Vect(long jarg1) |
static void |
delete_FilterMatch(long jarg1) |
static void |
delete_FilterMatcherBase(long jarg1) |
static void |
delete_Flagged_Atomic_Params_Vect(long jarg1) |
static void |
delete_Float_Pair_Vect(long jarg1) |
static void |
delete_Float_Pair(long jarg1) |
static void |
delete_ForceField(long jarg1) |
static void |
delete_ForceFieldContrib(long jarg1) |
static void |
delete_ForwardSDMolSupplier(long jarg1) |
static void |
delete_FPHolderBase(long jarg1) |
static void |
delete_FragmenterBondType(long jarg1) |
static void |
delete_GenericRDKitException(long jarg1) |
static void |
delete_gzstream(long jarg1) |
static void |
delete_HeteroatomIterator(long jarg1) |
static void |
delete_IndexErrorException(long jarg1) |
static void |
delete_Int_Double_Map(long jarg1) |
static void |
delete_Int_Int_Map(long jarg1) |
static void |
delete_Int_Int_Vect_List_Map(long jarg1) |
static void |
delete_Int_Int_Vect_Map(long jarg1) |
static void |
delete_Int_List(long jarg1) |
static void |
delete_Int_Pair(long jarg1) |
static void |
delete_Int_Point2D_Map(long jarg1) |
static void |
delete_Int_Point3D_Map(long jarg1) |
static void |
delete_Int_String_Map(long jarg1) |
static void |
delete_Int_Vect_List(long jarg1) |
static void |
delete_Int_Vect_Vect(long jarg1) |
static void |
delete_Int_Vect(long jarg1) |
static void |
delete_IntMatrix(long jarg1) |
static void |
delete_IntSymmMatrix(long jarg1) |
static void |
delete_InversionContrib(long jarg1) |
static void |
delete_KekulizeException(long jarg1) |
static void |
delete_KeyErrorException(long jarg1) |
static void |
delete_Long_Pair_Vect(long jarg1) |
static void |
delete_Long_Pair(long jarg1) |
static void |
delete_ltDouble(long jarg1) |
static void |
delete_Match_Vect_Vect(long jarg1) |
static void |
delete_Match_Vect(long jarg1) |
static void |
delete_MCSAtomCompareParameters(long jarg1) |
static void |
delete_MCSBondCompareParameters(long jarg1) |
static void |
delete_MCSProgressData(long jarg1) |
static void |
delete_MCSResult(long jarg1) |
static void |
delete_MolDraw2D(long jarg1) |
static void |
delete_MolDraw2DSVG(long jarg1) |
static void |
delete_MolDrawOptions(long jarg1) |
static void |
delete_MolFileUnhandledFeatureException(long jarg1) |
static void |
delete_MolHolder(long jarg1) |
static void |
delete_MolHolderBase(long jarg1) |
static void |
delete_MolPicklerException(long jarg1) |
static void |
delete_MolSanitizeException_Vect(long jarg1) |
static void |
delete_MolSanitizeException(long jarg1) |
static void |
delete_MolStackElem(long jarg1) |
static void |
delete_MolStackUnion(long jarg1) |
static void |
delete_MolSupplier(long jarg1) |
static void |
delete_MolWriter(long jarg1) |
static void |
delete_ParamCollection(long jarg1) |
static void |
delete_PatternHolder(long jarg1) |
static void |
delete_PDBMolSupplier(long jarg1) |
static void |
delete_PDBWriter(long jarg1) |
static void |
delete_PeriodicTable(long jarg1) |
static void |
delete_Point_Vect(long jarg1) |
static void |
delete_Point(long jarg1) |
static void |
delete_Point2D_Vect(long jarg1) |
static void |
delete_Point2D(long jarg1) |
static void |
delete_Point3D_Vect(long jarg1) |
static void |
delete_Point3D(long jarg1) |
static void |
delete_PointND(long jarg1) |
static void |
delete_QueryAtom(long jarg1) |
static void |
delete_QueryAtomIterator(long jarg1) |
static void |
delete_QueryBond(long jarg1) |
static void |
delete_RDProps(long jarg1) |
static void |
delete_ReactionFingerprintParams(long jarg1) |
static void |
delete_RecursiveStructureQuery(long jarg1) |
static void |
delete_ResonanceMolSupplier(long jarg1) |
static void |
delete_RGroupDecomposition(long jarg1) |
static void |
delete_RGroupDecompositionParameters(long jarg1) |
static void |
delete_RingInfo(long jarg1) |
static void |
delete_ROMol_Vect_Vect(long jarg1) |
static void |
delete_ROMol_Vect(long jarg1) |
static void |
delete_ROMol(long jarg1) |
static void |
delete_RWMol(long jarg1) |
static void |
delete_SDMolSupplier(long jarg1) |
static void |
delete_SDWriter(long jarg1) |
static void |
delete_Shared_Double_Array(long jarg1) |
static void |
delete_Shared_Int_Array(long jarg1) |
static void |
delete_SmilesMolSupplier(long jarg1) |
static void |
delete_SmilesParseException(long jarg1) |
static void |
delete_SmilesParserParams(long jarg1) |
static void |
delete_SmilesWriter(long jarg1) |
static void |
delete_Snapshot(long jarg1) |
static void |
delete_SparseIntVect32(long jarg1) |
static void |
delete_SparseIntVect64(long jarg1) |
static void |
delete_SparseIntVectu32(long jarg1) |
static void |
delete_ss_matcher(long jarg1) |
static void |
delete_StereoGroup_Vect(long jarg1) |
static void |
delete_StereoGroup(long jarg1) |
static void |
delete_Str_Vect(long jarg1) |
static void |
delete_String_String_Map(long jarg1) |
static void |
delete_StringInt_Pair(long jarg1) |
static void |
delete_StringMolMap_Vect(long jarg1) |
static void |
delete_StringMolMap(long jarg1) |
static void |
delete_StringROMol_VectMap(long jarg1) |
static void |
delete_SubstructLibrary(long jarg1) |
static void |
delete_SubstructMatchParameters(long jarg1) |
static void |
delete_TDTMolSupplier(long jarg1) |
static void |
delete_TDTWriter(long jarg1) |
static void |
delete_TorsionAngleContrib(long jarg1) |
static void |
delete_Trajectory(long jarg1) |
static void |
delete_Transform2D(long jarg1) |
static void |
delete_Transform3D(long jarg1) |
static void |
delete_UChar_Vect(long jarg1) |
static void |
delete_UFFAngle(long jarg1) |
static void |
delete_UFFBond(long jarg1) |
static void |
delete_UFFInv(long jarg1) |
static void |
delete_UFFTor(long jarg1) |
static void |
delete_UFFVdW(long jarg1) |
static void |
delete_UInt_List(long jarg1) |
static void |
delete_UInt_Pair_Vect(long jarg1) |
static void |
delete_UInt_Pair(long jarg1) |
static void |
delete_UInt_Vect(long jarg1) |
static void |
delete_UIntMolMap(long jarg1) |
static void |
delete_UIntPair(long jarg1) |
static void |
delete_UIntPairVect(long jarg1) |
static void |
delete_ValueErrorException(long jarg1) |
static void |
delete_vdWContrib(long jarg1) |
static long |
deleteSubstructs__SWIG_0(long jarg1,
ROMol jarg1_,
long jarg2,
ROMol jarg2_,
boolean jarg3,
boolean jarg4) |
static long |
deleteSubstructs__SWIG_1(long jarg1,
ROMol jarg1_,
long jarg2,
ROMol jarg2_,
boolean jarg3) |
static long |
deleteSubstructs__SWIG_2(long jarg1,
ROMol jarg1_,
long jarg2,
ROMol jarg2_) |
static java.lang.String |
describeQuery__SWIG_0(long jarg1,
Atom jarg1_) |
static java.lang.String |
describeQuery__SWIG_1(long jarg1,
Bond jarg1_) |
static void |
detectBondStereochemistry__SWIG_0(long jarg1,
ROMol jarg1_,
int jarg2) |
static void |
detectBondStereochemistry__SWIG_1(long jarg1,
ROMol jarg1_) |
static long |
detectChemistryProblems__SWIG_0(long jarg1,
ROMol jarg1_,
int jarg2) |
static long |
detectChemistryProblems__SWIG_1(long jarg1,
ROMol jarg1_) |
static double |
DiceSimilarity__SWIG_10(long jarg1,
SparseIntVect64 jarg1_,
long jarg2,
SparseIntVect64 jarg2_,
boolean jarg3) |
static double |
DiceSimilarity__SWIG_11(long jarg1,
SparseIntVect64 jarg1_,
long jarg2,
SparseIntVect64 jarg2_) |
static double |
DiceSimilarity__SWIG_3(long jarg1,
SparseIntVectu32 jarg1_,
long jarg2,
SparseIntVectu32 jarg2_,
boolean jarg3,
double jarg4) |
static double |
DiceSimilarity__SWIG_4(long jarg1,
SparseIntVectu32 jarg1_,
long jarg2,
SparseIntVectu32 jarg2_,
boolean jarg3) |
static double |
DiceSimilarity__SWIG_5(long jarg1,
SparseIntVectu32 jarg1_,
long jarg2,
SparseIntVectu32 jarg2_) |
static double |
DiceSimilarity__SWIG_6(long jarg1,
SparseIntVect32 jarg1_,
long jarg2,
SparseIntVect32 jarg2_,
boolean jarg3,
double jarg4) |
static double |
DiceSimilarity__SWIG_7(long jarg1,
SparseIntVect32 jarg1_,
long jarg2,
SparseIntVect32 jarg2_,
boolean jarg3) |
static double |
DiceSimilarity__SWIG_8(long jarg1,
SparseIntVect32 jarg1_,
long jarg2,
SparseIntVect32 jarg2_) |
static double |
DiceSimilarity__SWIG_9(long jarg1,
SparseIntVect64 jarg1_,
long jarg2,
SparseIntVect64 jarg2_,
boolean jarg3,
double jarg4) |
static double |
DiceSimilarity(long jarg1,
ExplicitBitVect jarg1_,
long jarg2,
ExplicitBitVect jarg2_) |
static void |
Dict_clearVal(long jarg1,
Dict jarg1_,
java.lang.String jarg2) |
static long |
Dict_getData__SWIG_0(long jarg1,
Dict jarg1_) |
static long |
Dict_getNonPODStatus(long jarg1,
Dict jarg1_) |
static void |
Dict_getVal(long jarg1,
Dict jarg1_,
java.lang.String jarg2,
long jarg3) |
static boolean |
Dict_getValIfPresent(long jarg1,
Dict jarg1_,
java.lang.String jarg2,
long jarg3) |
static boolean |
Dict_hasVal(long jarg1,
Dict jarg1_,
java.lang.String jarg2) |
static long |
Dict_keys(long jarg1,
Dict jarg1_) |
static void |
Dict_reset(long jarg1,
Dict jarg1_) |
static void |
Dict_setVal__SWIG_1(long jarg1,
Dict jarg1_,
java.lang.String jarg2,
boolean jarg3) |
static void |
Dict_setVal__SWIG_2(long jarg1,
Dict jarg1_,
java.lang.String jarg2,
double jarg3) |
static void |
Dict_setVal__SWIG_3(long jarg1,
Dict jarg1_,
java.lang.String jarg2,
float jarg3) |
static void |
Dict_setVal__SWIG_4(long jarg1,
Dict jarg1_,
java.lang.String jarg2,
int jarg3) |
static void |
Dict_setVal__SWIG_5(long jarg1,
Dict jarg1_,
java.lang.String jarg2,
long jarg3) |
static void |
Dict_setVal__SWIG_6(long jarg1,
Dict jarg1_,
java.lang.String jarg2,
java.lang.String jarg3) |
static void |
Dict_update__SWIG_0(long jarg1,
Dict jarg1_,
long jarg2,
Dict jarg2_,
boolean jarg3) |
static void |
Dict_update__SWIG_1(long jarg1,
Dict jarg1_,
long jarg2,
Dict jarg2_) |
static long |
DifferenceFingerprintChemReaction__SWIG_0(long jarg1,
ChemicalReaction jarg1_,
long jarg2,
ReactionFingerprintParams jarg2_) |
static long |
DifferenceFingerprintChemReaction__SWIG_1(long jarg1,
ChemicalReaction jarg1_) |
static long |
DIM_2D_get() |
static long |
DIM_3D_get() |
static java.lang.String |
Discrims_get() |
static long |
DistanceConstraintContrib_copy(long jarg1,
DistanceConstraintContrib jarg1_) |
static double |
DistanceConstraintContrib_getEnergy(long jarg1,
DistanceConstraintContrib jarg1_,
long jarg2) |
static void |
DistanceConstraintContrib_getGrad(long jarg1,
DistanceConstraintContrib jarg1_,
long jarg2,
long jarg3) |
static long |
DistanceConstraintContrib_SWIGSmartPtrUpcast(long jarg1) |
static boolean |
DistanceGeom_ComputeInitialCoords__SWIG_0(long jarg1,
DoubleSymmMatrix jarg1_,
long jarg2,
Point3D_Vect jarg2_,
boolean jarg3,
long jarg4) |
static boolean |
DistanceGeom_ComputeInitialCoords__SWIG_1(long jarg1,
DoubleSymmMatrix jarg1_,
long jarg2,
Point3D_Vect jarg2_,
boolean jarg3) |
static boolean |
DistanceGeom_ComputeInitialCoords__SWIG_2(long jarg1,
DoubleSymmMatrix jarg1_,
long jarg2,
Point3D_Vect jarg2_) |
static long |
DistanceGeom_ConstructForceField__SWIG_0(long jarg1,
BoundsMatrix jarg1_,
long jarg2,
Point_Vect jarg2_,
long jarg3,
double jarg4,
double jarg5,
long jarg6,
double jarg7) |
static long |
DistanceGeom_ConstructForceField__SWIG_1(long jarg1,
BoundsMatrix jarg1_,
long jarg2,
Point_Vect jarg2_,
long jarg3,
double jarg4,
double jarg5,
long jarg6) |
static long |
DistanceGeom_ConstructForceField__SWIG_2(long jarg1,
BoundsMatrix jarg1_,
long jarg2,
Point_Vect jarg2_,
long jarg3,
double jarg4,
double jarg5) |
static long |
DistanceGeom_ConstructForceField__SWIG_3(long jarg1,
BoundsMatrix jarg1_,
long jarg2,
Point_Vect jarg2_,
long jarg3,
double jarg4) |
static long |
DistanceGeom_ConstructForceField__SWIG_4(long jarg1,
BoundsMatrix jarg1_,
long jarg2,
Point_Vect jarg2_,
long jarg3) |
static int |
DistanceGeom_EmbedMolecule__SWIG_0(long jarg1,
ROMol jarg1_,
long jarg2,
int jarg3,
boolean jarg4,
boolean jarg5,
double jarg6,
boolean jarg7,
long jarg8,
long jarg9,
Int_Point3D_Map jarg9_,
double jarg10,
boolean jarg11,
boolean jarg12,
boolean jarg13,
boolean jarg14,
boolean jarg15,
double jarg16) |
static int |
DistanceGeom_EmbedMolecule__SWIG_1(long jarg1,
ROMol jarg1_,
long jarg2,
int jarg3,
boolean jarg4,
boolean jarg5,
double jarg6,
boolean jarg7,
long jarg8,
long jarg9,
Int_Point3D_Map jarg9_,
double jarg10,
boolean jarg11,
boolean jarg12,
boolean jarg13,
boolean jarg14,
boolean jarg15) |
static int |
DistanceGeom_EmbedMolecule__SWIG_10(long jarg1,
ROMol jarg1_,
long jarg2,
int jarg3,
boolean jarg4,
boolean jarg5,
double jarg6) |
static int |
DistanceGeom_EmbedMolecule__SWIG_11(long jarg1,
ROMol jarg1_,
long jarg2,
int jarg3,
boolean jarg4,
boolean jarg5) |
static int |
DistanceGeom_EmbedMolecule__SWIG_12(long jarg1,
ROMol jarg1_,
long jarg2,
int jarg3,
boolean jarg4) |
static int |
DistanceGeom_EmbedMolecule__SWIG_13(long jarg1,
ROMol jarg1_,
long jarg2,
int jarg3) |
static int |
DistanceGeom_EmbedMolecule__SWIG_14(long jarg1,
ROMol jarg1_,
long jarg2) |
static int |
DistanceGeom_EmbedMolecule__SWIG_15(long jarg1,
ROMol jarg1_) |
static int |
DistanceGeom_EmbedMolecule__SWIG_16(long jarg1,
ROMol jarg1_,
long jarg2,
EmbedParameters jarg2_) |
static int |
DistanceGeom_EmbedMolecule__SWIG_2(long jarg1,
ROMol jarg1_,
long jarg2,
int jarg3,
boolean jarg4,
boolean jarg5,
double jarg6,
boolean jarg7,
long jarg8,
long jarg9,
Int_Point3D_Map jarg9_,
double jarg10,
boolean jarg11,
boolean jarg12,
boolean jarg13,
boolean jarg14) |
static int |
DistanceGeom_EmbedMolecule__SWIG_3(long jarg1,
ROMol jarg1_,
long jarg2,
int jarg3,
boolean jarg4,
boolean jarg5,
double jarg6,
boolean jarg7,
long jarg8,
long jarg9,
Int_Point3D_Map jarg9_,
double jarg10,
boolean jarg11,
boolean jarg12,
boolean jarg13) |
static int |
DistanceGeom_EmbedMolecule__SWIG_4(long jarg1,
ROMol jarg1_,
long jarg2,
int jarg3,
boolean jarg4,
boolean jarg5,
double jarg6,
boolean jarg7,
long jarg8,
long jarg9,
Int_Point3D_Map jarg9_,
double jarg10,
boolean jarg11,
boolean jarg12) |
static int |
DistanceGeom_EmbedMolecule__SWIG_5(long jarg1,
ROMol jarg1_,
long jarg2,
int jarg3,
boolean jarg4,
boolean jarg5,
double jarg6,
boolean jarg7,
long jarg8,
long jarg9,
Int_Point3D_Map jarg9_,
double jarg10,
boolean jarg11) |
static int |
DistanceGeom_EmbedMolecule__SWIG_6(long jarg1,
ROMol jarg1_,
long jarg2,
int jarg3,
boolean jarg4,
boolean jarg5,
double jarg6,
boolean jarg7,
long jarg8,
long jarg9,
Int_Point3D_Map jarg9_,
double jarg10) |
static int |
DistanceGeom_EmbedMolecule__SWIG_7(long jarg1,
ROMol jarg1_,
long jarg2,
int jarg3,
boolean jarg4,
boolean jarg5,
double jarg6,
boolean jarg7,
long jarg8,
long jarg9,
Int_Point3D_Map jarg9_) |
static int |
DistanceGeom_EmbedMolecule__SWIG_8(long jarg1,
ROMol jarg1_,
long jarg2,
int jarg3,
boolean jarg4,
boolean jarg5,
double jarg6,
boolean jarg7,
long jarg8) |
static int |
DistanceGeom_EmbedMolecule__SWIG_9(long jarg1,
ROMol jarg1_,
long jarg2,
int jarg3,
boolean jarg4,
boolean jarg5,
double jarg6,
boolean jarg7) |
static long |
DistanceGeom_EmbedMultipleConfs__SWIG_0(long jarg1,
ROMol jarg1_,
long jarg2,
long jarg3,
int jarg4,
boolean jarg5,
boolean jarg6,
double jarg7,
boolean jarg8,
long jarg9,
double jarg10,
long jarg11,
Int_Point3D_Map jarg11_,
double jarg12,
boolean jarg13,
boolean jarg14,
boolean jarg15,
boolean jarg16,
boolean jarg17,
double jarg18) |
static long |
DistanceGeom_EmbedMultipleConfs__SWIG_1(long jarg1,
ROMol jarg1_,
long jarg2,
long jarg3,
int jarg4,
boolean jarg5,
boolean jarg6,
double jarg7,
boolean jarg8,
long jarg9,
double jarg10,
long jarg11,
Int_Point3D_Map jarg11_,
double jarg12,
boolean jarg13,
boolean jarg14,
boolean jarg15,
boolean jarg16,
boolean jarg17) |
static long |
DistanceGeom_EmbedMultipleConfs__SWIG_10(long jarg1,
ROMol jarg1_,
long jarg2,
long jarg3,
int jarg4,
boolean jarg5,
boolean jarg6,
double jarg7,
boolean jarg8) |
static long |
DistanceGeom_EmbedMultipleConfs__SWIG_11(long jarg1,
ROMol jarg1_,
long jarg2,
long jarg3,
int jarg4,
boolean jarg5,
boolean jarg6,
double jarg7) |
static long |
DistanceGeom_EmbedMultipleConfs__SWIG_12(long jarg1,
ROMol jarg1_,
long jarg2,
long jarg3,
int jarg4,
boolean jarg5,
boolean jarg6) |
static long |
DistanceGeom_EmbedMultipleConfs__SWIG_13(long jarg1,
ROMol jarg1_,
long jarg2,
long jarg3,
int jarg4,
boolean jarg5) |
static long |
DistanceGeom_EmbedMultipleConfs__SWIG_14(long jarg1,
ROMol jarg1_,
long jarg2,
long jarg3,
int jarg4) |
static long |
DistanceGeom_EmbedMultipleConfs__SWIG_15(long jarg1,
ROMol jarg1_,
long jarg2,
long jarg3) |
static long |
DistanceGeom_EmbedMultipleConfs__SWIG_16(long jarg1,
ROMol jarg1_,
long jarg2) |
static long |
DistanceGeom_EmbedMultipleConfs__SWIG_17(long jarg1,
ROMol jarg1_) |
static long |
DistanceGeom_EmbedMultipleConfs__SWIG_18(long jarg1,
ROMol jarg1_,
long jarg2,
long jarg3,
EmbedParameters jarg3_) |
static long |
DistanceGeom_EmbedMultipleConfs__SWIG_2(long jarg1,
ROMol jarg1_,
long jarg2,
long jarg3,
int jarg4,
boolean jarg5,
boolean jarg6,
double jarg7,
boolean jarg8,
long jarg9,
double jarg10,
long jarg11,
Int_Point3D_Map jarg11_,
double jarg12,
boolean jarg13,
boolean jarg14,
boolean jarg15,
boolean jarg16) |
static long |
DistanceGeom_EmbedMultipleConfs__SWIG_3(long jarg1,
ROMol jarg1_,
long jarg2,
long jarg3,
int jarg4,
boolean jarg5,
boolean jarg6,
double jarg7,
boolean jarg8,
long jarg9,
double jarg10,
long jarg11,
Int_Point3D_Map jarg11_,
double jarg12,
boolean jarg13,
boolean jarg14,
boolean jarg15) |
static long |
DistanceGeom_EmbedMultipleConfs__SWIG_4(long jarg1,
ROMol jarg1_,
long jarg2,
long jarg3,
int jarg4,
boolean jarg5,
boolean jarg6,
double jarg7,
boolean jarg8,
long jarg9,
double jarg10,
long jarg11,
Int_Point3D_Map jarg11_,
double jarg12,
boolean jarg13,
boolean jarg14) |
static long |
DistanceGeom_EmbedMultipleConfs__SWIG_5(long jarg1,
ROMol jarg1_,
long jarg2,
long jarg3,
int jarg4,
boolean jarg5,
boolean jarg6,
double jarg7,
boolean jarg8,
long jarg9,
double jarg10,
long jarg11,
Int_Point3D_Map jarg11_,
double jarg12,
boolean jarg13) |
static long |
DistanceGeom_EmbedMultipleConfs__SWIG_6(long jarg1,
ROMol jarg1_,
long jarg2,
long jarg3,
int jarg4,
boolean jarg5,
boolean jarg6,
double jarg7,
boolean jarg8,
long jarg9,
double jarg10,
long jarg11,
Int_Point3D_Map jarg11_,
double jarg12) |
static long |
DistanceGeom_EmbedMultipleConfs__SWIG_7(long jarg1,
ROMol jarg1_,
long jarg2,
long jarg3,
int jarg4,
boolean jarg5,
boolean jarg6,
double jarg7,
boolean jarg8,
long jarg9,
double jarg10,
long jarg11,
Int_Point3D_Map jarg11_) |
static long |
DistanceGeom_EmbedMultipleConfs__SWIG_8(long jarg1,
ROMol jarg1_,
long jarg2,
long jarg3,
int jarg4,
boolean jarg5,
boolean jarg6,
double jarg7,
boolean jarg8,
long jarg9,
double jarg10) |
static long |
DistanceGeom_EmbedMultipleConfs__SWIG_9(long jarg1,
ROMol jarg1_,
long jarg2,
long jarg3,
int jarg4,
boolean jarg5,
boolean jarg6,
double jarg7,
boolean jarg8,
long jarg9) |
static void |
DistanceGeom_SetTopolBounds__SWIG_0(long jarg1,
ROMol jarg1_,
long jarg2,
BoundsMatrix jarg2_,
boolean jarg3,
boolean jarg4) |
static void |
DistanceGeom_SetTopolBounds__SWIG_1(long jarg1,
ROMol jarg1_,
long jarg2,
BoundsMatrix jarg2_,
boolean jarg3) |
static void |
DistanceGeom_SetTopolBounds__SWIG_2(long jarg1,
ROMol jarg1_,
long jarg2,
BoundsMatrix jarg2_) |
static java.lang.String |
DistanceMatrix_Paths_get() |
static long |
Double_Array_cast(long jarg1,
Double_Array jarg1_) |
static long |
Double_Array_frompointer(long jarg1) |
static double |
Double_Array_getitem(long jarg1,
Double_Array jarg1_,
int jarg2) |
static void |
Double_Array_setitem(long jarg1,
Double_Array jarg1_,
int jarg2,
double jarg3) |
static double |
Double_Pair_first_get(long jarg1,
Double_Pair jarg1_) |
static void |
Double_Pair_first_set(long jarg1,
Double_Pair jarg1_,
double jarg2) |
static double |
Double_Pair_second_get(long jarg1,
Double_Pair jarg1_) |
static void |
Double_Pair_second_set(long jarg1,
Double_Pair jarg1_,
double jarg2) |
static void |
Double_Vect_add(long jarg1,
Double_Vect jarg1_,
double jarg2) |
static long |
Double_Vect_capacity(long jarg1,
Double_Vect jarg1_) |
static void |
Double_Vect_clear(long jarg1,
Double_Vect jarg1_) |
static boolean |
Double_Vect_equals(long jarg1,
Double_Vect jarg1_,
long jarg2,
Double_Vect jarg2_) |
static double |
Double_Vect_get(long jarg1,
Double_Vect jarg1_,
int jarg2) |
static boolean |
Double_Vect_isEmpty(long jarg1,
Double_Vect jarg1_) |
static void |
Double_Vect_reserve(long jarg1,
Double_Vect jarg1_,
long jarg2) |
static void |
Double_Vect_set(long jarg1,
Double_Vect jarg1_,
int jarg2,
double jarg3) |
static long |
Double_Vect_size(long jarg1,
Double_Vect jarg1_) |
static long |
DoubleMatrix_assign(long jarg1,
DoubleMatrix jarg1_,
long jarg2,
DoubleMatrix jarg2_) |
static void |
DoubleMatrix_getCol(long jarg1,
DoubleMatrix jarg1_,
long jarg2,
long jarg3) |
static long |
DoubleMatrix_getData__SWIG_0(long jarg1,
DoubleMatrix jarg1_) |
static long |
DoubleMatrix_getDataSize(long jarg1,
DoubleMatrix jarg1_) |
static void |
DoubleMatrix_getRow(long jarg1,
DoubleMatrix jarg1_,
long jarg2,
long jarg3) |
static double |
DoubleMatrix_getVal(long jarg1,
DoubleMatrix jarg1_,
long jarg2,
long jarg3) |
static long |
DoubleMatrix_numCols(long jarg1,
DoubleMatrix jarg1_) |
static long |
DoubleMatrix_numRows(long jarg1,
DoubleMatrix jarg1_) |
static void |
DoubleMatrix_setVal(long jarg1,
DoubleMatrix jarg1_,
long jarg2,
long jarg3,
double jarg4) |
static long |
DoubleMatrix_transpose(long jarg1,
DoubleMatrix jarg1_,
long jarg2,
DoubleMatrix jarg2_) |
static long |
DoubleSquareMatrix_SWIGUpcast(long jarg1) |
static long |
DoubleSquareMatrix_transposeInplace(long jarg1,
DoubleSquareMatrix jarg1_) |
static void |
DoubleSymmMatrix_getCol(long jarg1,
DoubleSymmMatrix jarg1_,
long jarg2,
long jarg3) |
static long |
DoubleSymmMatrix_getData__SWIG_0(long jarg1,
DoubleSymmMatrix jarg1_) |
static long |
DoubleSymmMatrix_getDataSize(long jarg1,
DoubleSymmMatrix jarg1_) |
static void |
DoubleSymmMatrix_getRow(long jarg1,
DoubleSymmMatrix jarg1_,
long jarg2,
long jarg3) |
static double |
DoubleSymmMatrix_getVal(long jarg1,
DoubleSymmMatrix jarg1_,
long jarg2,
long jarg3) |
static long |
DoubleSymmMatrix_numCols(long jarg1,
DoubleSymmMatrix jarg1_) |
static long |
DoubleSymmMatrix_numRows(long jarg1,
DoubleSymmMatrix jarg1_) |
static void |
DoubleSymmMatrix_setToIdentity(long jarg1,
DoubleSymmMatrix jarg1_) |
static void |
DoubleSymmMatrix_setVal(long jarg1,
DoubleSymmMatrix jarg1_,
long jarg2,
long jarg3,
double jarg4) |
static long |
DoubleSymmMatrix_transpose(long jarg1,
DoubleSymmMatrix jarg1_,
long jarg2,
DoubleSymmMatrix jarg2_) |
static long |
DoubleSymmMatrix_transposeInplace(long jarg1,
DoubleSymmMatrix jarg1_) |
static double |
DrawColour_a_get(long jarg1,
DrawColour jarg1_) |
static void |
DrawColour_a_set(long jarg1,
DrawColour jarg1_,
double jarg2) |
static double |
DrawColour_b_get(long jarg1,
DrawColour jarg1_) |
static void |
DrawColour_b_set(long jarg1,
DrawColour jarg1_,
double jarg2) |
static boolean |
DrawColour_feq__SWIG_0(long jarg1,
DrawColour jarg1_,
long jarg2,
DrawColour jarg2_,
double jarg3,
boolean jarg4) |
static boolean |
DrawColour_feq__SWIG_1(long jarg1,
DrawColour jarg1_,
long jarg2,
DrawColour jarg2_,
double jarg3) |
static boolean |
DrawColour_feq__SWIG_2(long jarg1,
DrawColour jarg1_,
long jarg2,
DrawColour jarg2_) |
static double |
DrawColour_g_get(long jarg1,
DrawColour jarg1_) |
static void |
DrawColour_g_set(long jarg1,
DrawColour jarg1_,
double jarg2) |
static double |
DrawColour_r_get(long jarg1,
DrawColour jarg1_) |
static void |
DrawColour_r_set(long jarg1,
DrawColour jarg1_,
double jarg2) |
static int |
DummyAtomLabels_get() |
static java.lang.String |
dummyLabel_get() |
static void |
EBV_Vect_add(long jarg1,
EBV_Vect jarg1_,
long jarg2,
ExplicitBitVect jarg2_) |
static long |
EBV_Vect_capacity(long jarg1,
EBV_Vect jarg1_) |
static void |
EBV_Vect_clear(long jarg1,
EBV_Vect jarg1_) |
static boolean |
EBV_Vect_equals(long jarg1,
EBV_Vect jarg1_,
long jarg2,
EBV_Vect jarg2_) |
static long |
EBV_Vect_get(long jarg1,
EBV_Vect jarg1_,
int jarg2) |
static boolean |
EBV_Vect_isEmpty(long jarg1,
EBV_Vect jarg1_) |
static void |
EBV_Vect_reserve(long jarg1,
EBV_Vect jarg1_,
long jarg2) |
static void |
EBV_Vect_set(long jarg1,
EBV_Vect jarg1_,
int jarg2,
long jarg3,
ExplicitBitVect jarg3_) |
static long |
EBV_Vect_size(long jarg1,
EBV_Vect jarg1_) |
static double |
electronMass_get() |
static double |
EmbedParameters_basinThresh_get(long jarg1,
EmbedParameters jarg1_) |
static void |
EmbedParameters_basinThresh_set(long jarg1,
EmbedParameters jarg1_,
double jarg2) |
static long |
EmbedParameters_boundsMat_get(long jarg1,
EmbedParameters jarg1_) |
static void |
EmbedParameters_boundsMat_set(long jarg1,
EmbedParameters jarg1_,
long jarg2) |
static double |
EmbedParameters_boxSizeMult_get(long jarg1,
EmbedParameters jarg1_) |
static void |
EmbedParameters_boxSizeMult_set(long jarg1,
EmbedParameters jarg1_,
double jarg2) |
static boolean |
EmbedParameters_clearConfs_get(long jarg1,
EmbedParameters jarg1_) |
static void |
EmbedParameters_clearConfs_set(long jarg1,
EmbedParameters jarg1_,
boolean jarg2) |
static long |
EmbedParameters_coordMap_get(long jarg1,
EmbedParameters jarg1_) |
static void |
EmbedParameters_coordMap_set(long jarg1,
EmbedParameters jarg1_,
long jarg2,
Int_Point3D_Map jarg2_) |
static boolean |
EmbedParameters_embedFragmentsSeparately_get(long jarg1,
EmbedParameters jarg1_) |
static void |
EmbedParameters_embedFragmentsSeparately_set(long jarg1,
EmbedParameters jarg1_,
boolean jarg2) |
static boolean |
EmbedParameters_enforceChirality_get(long jarg1,
EmbedParameters jarg1_) |
static void |
EmbedParameters_enforceChirality_set(long jarg1,
EmbedParameters jarg1_,
boolean jarg2) |
static long |
EmbedParameters_ETversion_get(long jarg1,
EmbedParameters jarg1_) |
static void |
EmbedParameters_ETversion_set(long jarg1,
EmbedParameters jarg1_,
long jarg2) |
static boolean |
EmbedParameters_ignoreSmoothingFailures_get(long jarg1,
EmbedParameters jarg1_) |
static void |
EmbedParameters_ignoreSmoothingFailures_set(long jarg1,
EmbedParameters jarg1_,
boolean jarg2) |
static long |
EmbedParameters_maxIterations_get(long jarg1,
EmbedParameters jarg1_) |
static void |
EmbedParameters_maxIterations_set(long jarg1,
EmbedParameters jarg1_,
long jarg2) |
static int |
EmbedParameters_numThreads_get(long jarg1,
EmbedParameters jarg1_) |
static void |
EmbedParameters_numThreads_set(long jarg1,
EmbedParameters jarg1_,
int jarg2) |
static long |
EmbedParameters_numZeroFail_get(long jarg1,
EmbedParameters jarg1_) |
static void |
EmbedParameters_numZeroFail_set(long jarg1,
EmbedParameters jarg1_,
long jarg2) |
static boolean |
EmbedParameters_onlyHeavyAtomsForRMS_get(long jarg1,
EmbedParameters jarg1_) |
static void |
EmbedParameters_onlyHeavyAtomsForRMS_set(long jarg1,
EmbedParameters jarg1_,
boolean jarg2) |
static double |
EmbedParameters_optimizerForceTol_get(long jarg1,
EmbedParameters jarg1_) |
static void |
EmbedParameters_optimizerForceTol_set(long jarg1,
EmbedParameters jarg1_,
double jarg2) |
static double |
EmbedParameters_pruneRmsThresh_get(long jarg1,
EmbedParameters jarg1_) |
static void |
EmbedParameters_pruneRmsThresh_set(long jarg1,
EmbedParameters jarg1_,
double jarg2) |
static boolean |
EmbedParameters_randNegEig_get(long jarg1,
EmbedParameters jarg1_) |
static void |
EmbedParameters_randNegEig_set(long jarg1,
EmbedParameters jarg1_,
boolean jarg2) |
static int |
EmbedParameters_randomSeed_get(long jarg1,
EmbedParameters jarg1_) |
static void |
EmbedParameters_randomSeed_set(long jarg1,
EmbedParameters jarg1_,
int jarg2) |
static boolean |
EmbedParameters_useBasicKnowledge_get(long jarg1,
EmbedParameters jarg1_) |
static void |
EmbedParameters_useBasicKnowledge_set(long jarg1,
EmbedParameters jarg1_,
boolean jarg2) |
static boolean |
EmbedParameters_useExpTorsionAnglePrefs_get(long jarg1,
EmbedParameters jarg1_) |
static void |
EmbedParameters_useExpTorsionAnglePrefs_set(long jarg1,
EmbedParameters jarg1_,
boolean jarg2) |
static boolean |
EmbedParameters_useRandomCoords_get(long jarg1,
EmbedParameters jarg1_) |
static void |
EmbedParameters_useRandomCoords_set(long jarg1,
EmbedParameters jarg1_,
boolean jarg2) |
static boolean |
EmbedParameters_verbose_get(long jarg1,
EmbedParameters jarg1_) |
static void |
EmbedParameters_verbose_set(long jarg1,
EmbedParameters jarg1_,
boolean jarg2) |
static int |
endianId_get() |
static long |
enumerateTautomerSmiles__SWIG_0(java.lang.String jarg1,
long jarg2,
CleanupParameters jarg2_) |
static long |
enumerateTautomerSmiles__SWIG_1(java.lang.String jarg1) |
static double |
EPS_DOUBLE_get() |
static double |
equation17(double jarg1,
long jarg2,
AtomicParams jarg2_,
long jarg3,
AtomicParams jarg3_) |
static java.lang.String |
exactmwVersion_get() |
static int |
Exhaustive_get() |
static void |
ExplicitBitVect_clearBits(long jarg1,
ExplicitBitVect jarg1_) |
static boolean |
ExplicitBitVect_getBit(long jarg1,
ExplicitBitVect jarg1_,
long jarg2) |
static long |
ExplicitBitVect_getNumBits(long jarg1,
ExplicitBitVect jarg1_) |
static long |
ExplicitBitVect_getNumOffBits(long jarg1,
ExplicitBitVect jarg1_) |
static long |
ExplicitBitVect_getNumOnBits(long jarg1,
ExplicitBitVect jarg1_) |
static long |
ExplicitBitVect_getOnBits(long jarg1,
ExplicitBitVect jarg1_) |
static boolean |
ExplicitBitVect_setBit(long jarg1,
ExplicitBitVect jarg1_,
long jarg2) |
static long |
ExplicitBitVect_SWIGUpcast(long jarg1) |
static byte[] |
ExplicitBitVect_toByteArray(long jarg1,
ExplicitBitVect jarg1_) |
static java.lang.String |
ExplicitBitVect_toString(long jarg1,
ExplicitBitVect jarg1_) |
static boolean |
ExplicitBitVect_unsetBit(long jarg1,
ExplicitBitVect jarg1_,
long jarg2) |
static java.lang.String |
ExtraInchiReturnValues_auxInfoPtr_get(long jarg1,
ExtraInchiReturnValues jarg1_) |
static void |
ExtraInchiReturnValues_auxInfoPtr_set(long jarg1,
ExtraInchiReturnValues jarg1_,
java.lang.String jarg2) |
static java.lang.String |
ExtraInchiReturnValues_logPtr_get(long jarg1,
ExtraInchiReturnValues jarg1_) |
static void |
ExtraInchiReturnValues_logPtr_set(long jarg1,
ExtraInchiReturnValues jarg1_,
java.lang.String jarg2) |
static java.lang.String |
ExtraInchiReturnValues_messagePtr_get(long jarg1,
ExtraInchiReturnValues jarg1_) |
static void |
ExtraInchiReturnValues_messagePtr_set(long jarg1,
ExtraInchiReturnValues jarg1_,
java.lang.String jarg2) |
static int |
ExtraInchiReturnValues_returnCode_get(long jarg1,
ExtraInchiReturnValues jarg1_) |
static void |
ExtraInchiReturnValues_returnCode_set(long jarg1,
ExtraInchiReturnValues jarg1_,
int jarg2) |
static java.lang.String |
extraRings_get() |
static void |
fastFindRings(long jarg1,
ROMol jarg1_) |
static void |
FF_Contrib_Vect_add(long jarg1,
FF_Contrib_Vect jarg1_,
long jarg2,
ForceFieldContrib jarg2_) |
static long |
FF_Contrib_Vect_capacity(long jarg1,
FF_Contrib_Vect jarg1_) |
static void |
FF_Contrib_Vect_clear(long jarg1,
FF_Contrib_Vect jarg1_) |
static boolean |
FF_Contrib_Vect_equals(long jarg1,
FF_Contrib_Vect jarg1_,
long jarg2,
FF_Contrib_Vect jarg2_) |
static long |
FF_Contrib_Vect_get(long jarg1,
FF_Contrib_Vect jarg1_,
int jarg2) |
static boolean |
FF_Contrib_Vect_isEmpty(long jarg1,
FF_Contrib_Vect jarg1_) |
static void |
FF_Contrib_Vect_reserve(long jarg1,
FF_Contrib_Vect jarg1_,
long jarg2) |
static void |
FF_Contrib_Vect_set(long jarg1,
FF_Contrib_Vect jarg1_,
int jarg2,
long jarg3,
ForceFieldContrib jarg3_) |
static long |
FF_Contrib_Vect_size(long jarg1,
FF_Contrib_Vect jarg1_) |
static long |
FilterCatalog_addEntry(long jarg1,
FilterCatalog jarg1_,
long jarg2,
FilterCatalogEntry jarg2_) |
static boolean |
FilterCatalog_canSerialize(long jarg1,
FilterCatalog jarg1_) |
static long |
FilterCatalog_getEntry(long jarg1,
FilterCatalog jarg1_,
long jarg2) |
static long |
FilterCatalog_getFilterMatches(long jarg1,
FilterCatalog jarg1_,
long jarg2,
ROMol jarg2_) |
static long |
FilterCatalog_getFirstMatch(long jarg1,
FilterCatalog jarg1_,
long jarg2,
ROMol jarg2_) |
static long |
FilterCatalog_getIdxForEntry(long jarg1,
FilterCatalog jarg1_,
long jarg2,
FilterCatalogEntry jarg2_) |
static long |
FilterCatalog_getMatches(long jarg1,
FilterCatalog jarg1_,
long jarg2,
ROMol jarg2_) |
static long |
FilterCatalog_getNumEntries(long jarg1,
FilterCatalog jarg1_) |
static boolean |
FilterCatalog_hasMatch(long jarg1,
FilterCatalog jarg1_,
long jarg2,
ROMol jarg2_) |
static boolean |
FilterCatalog_removeEntry(long jarg1,
FilterCatalog jarg1_,
long jarg2,
FilterCatalogEntry jarg2_) |
static byte[] |
FilterCatalog_Serialize(long jarg1,
FilterCatalog jarg1_) |
static boolean |
FilterCatalogCanSerialize() |
static void |
FilterCatalogEntry_clearProp__SWIG_0(long jarg1,
FilterCatalogEntry jarg1_,
java.lang.String jarg2) |
static java.lang.String |
FilterCatalogEntry_getDescription(long jarg1,
FilterCatalogEntry jarg1_) |
static boolean |
FilterCatalogEntry_getFilterMatches__SWIG_0(long jarg1,
FilterCatalogEntry jarg1_,
long jarg2,
ROMol jarg2_,
long jarg3,
FilterMatch_Vect jarg3_) |
static long |
FilterCatalogEntry_getFilterMatches__SWIG_1(long jarg1,
FilterCatalogEntry jarg1_,
long jarg2,
ROMol jarg2_) |
static java.lang.String |
FilterCatalogEntry_getProp(long jarg1,
FilterCatalogEntry jarg1_,
java.lang.String jarg2) |
static long |
FilterCatalogEntry_getPropList(long jarg1,
FilterCatalogEntry jarg1_) |
static long |
FilterCatalogEntry_getProps__SWIG_0(long jarg1,
FilterCatalogEntry jarg1_) |
static boolean |
FilterCatalogEntry_hasFilterMatch(long jarg1,
FilterCatalogEntry jarg1_,
long jarg2,
ROMol jarg2_) |
static boolean |
FilterCatalogEntry_hasProp__SWIG_0(long jarg1,
FilterCatalogEntry jarg1_,
java.lang.String jarg2) |
static void |
FilterCatalogEntry_initFromStream(long jarg1,
FilterCatalogEntry jarg1_,
long jarg2) |
static void |
FilterCatalogEntry_initFromString(long jarg1,
FilterCatalogEntry jarg1_,
java.lang.String jarg2) |
static boolean |
FilterCatalogEntry_isValid(long jarg1,
FilterCatalogEntry jarg1_) |
static java.lang.String |
FilterCatalogEntry_Serialize(long jarg1,
FilterCatalogEntry jarg1_) |
static void |
FilterCatalogEntry_setDescription(long jarg1,
FilterCatalogEntry jarg1_,
java.lang.String jarg2) |
static void |
FilterCatalogEntry_setProps(long jarg1,
FilterCatalogEntry jarg1_,
long jarg2,
Dict jarg2_) |
static void |
FilterCatalogEntry_toStream(long jarg1,
FilterCatalogEntry jarg1_,
long jarg2) |
static void |
FilterCatalogEntry_Vect_add(long jarg1,
FilterCatalogEntry_Vect jarg1_,
long jarg2,
FilterCatalogEntry jarg2_) |
static long |
FilterCatalogEntry_Vect_capacity(long jarg1,
FilterCatalogEntry_Vect jarg1_) |
static void |
FilterCatalogEntry_Vect_clear(long jarg1,
FilterCatalogEntry_Vect jarg1_) |
static boolean |
FilterCatalogEntry_Vect_equals(long jarg1,
FilterCatalogEntry_Vect jarg1_,
long jarg2,
FilterCatalogEntry_Vect jarg2_) |
static long |
FilterCatalogEntry_Vect_get(long jarg1,
FilterCatalogEntry_Vect jarg1_,
int jarg2) |
static boolean |
FilterCatalogEntry_Vect_isEmpty(long jarg1,
FilterCatalogEntry_Vect jarg1_) |
static void |
FilterCatalogEntry_Vect_reserve(long jarg1,
FilterCatalogEntry_Vect jarg1_,
long jarg2) |
static void |
FilterCatalogEntry_Vect_set(long jarg1,
FilterCatalogEntry_Vect jarg1_,
int jarg2,
long jarg3,
FilterCatalogEntry jarg3_) |
static long |
FilterCatalogEntry_Vect_size(long jarg1,
FilterCatalogEntry_Vect jarg1_) |
static void |
FilterCatalogEntry_VectVect_add(long jarg1,
FilterCatalogEntry_VectVect jarg1_,
long jarg2) |
static long |
FilterCatalogEntry_VectVect_capacity(long jarg1,
FilterCatalogEntry_VectVect jarg1_) |
static void |
FilterCatalogEntry_VectVect_clear(long jarg1,
FilterCatalogEntry_VectVect jarg1_) |
static boolean |
FilterCatalogEntry_VectVect_equals(long jarg1,
FilterCatalogEntry_VectVect jarg1_,
long jarg2,
FilterCatalogEntry_VectVect jarg2_) |
static long |
FilterCatalogEntry_VectVect_get(long jarg1,
FilterCatalogEntry_VectVect jarg1_,
int jarg2) |
static boolean |
FilterCatalogEntry_VectVect_isEmpty(long jarg1,
FilterCatalogEntry_VectVect jarg1_) |
static void |
FilterCatalogEntry_VectVect_reserve(long jarg1,
FilterCatalogEntry_VectVect jarg1_,
long jarg2) |
static void |
FilterCatalogEntry_VectVect_set(long jarg1,
FilterCatalogEntry_VectVect jarg1_,
int jarg2,
long jarg3) |
static long |
FilterCatalogEntry_VectVect_size(long jarg1,
FilterCatalogEntry_VectVect jarg1_) |
static void |
FilterCatalogEntryVect_add(long jarg1,
FilterCatalogEntryVect jarg1_,
long jarg2,
FilterCatalogEntry jarg2_) |
static long |
FilterCatalogEntryVect_capacity(long jarg1,
FilterCatalogEntryVect jarg1_) |
static void |
FilterCatalogEntryVect_clear(long jarg1,
FilterCatalogEntryVect jarg1_) |
static boolean |
FilterCatalogEntryVect_equals(long jarg1,
FilterCatalogEntryVect jarg1_,
long jarg2,
FilterCatalogEntryVect jarg2_) |
static long |
FilterCatalogEntryVect_get(long jarg1,
FilterCatalogEntryVect jarg1_,
int jarg2) |
static boolean |
FilterCatalogEntryVect_isEmpty(long jarg1,
FilterCatalogEntryVect jarg1_) |
static void |
FilterCatalogEntryVect_reserve(long jarg1,
FilterCatalogEntryVect jarg1_,
long jarg2) |
static void |
FilterCatalogEntryVect_set(long jarg1,
FilterCatalogEntryVect jarg1_,
int jarg2,
long jarg3,
FilterCatalogEntry jarg3_) |
static long |
FilterCatalogEntryVect_size(long jarg1,
FilterCatalogEntryVect jarg1_) |
static boolean |
FilterCatalogParams_addCatalog(long jarg1,
FilterCatalogParams jarg1_,
int jarg2) |
static int |
FilterCatalogParams_ALL_get() |
static int |
FilterCatalogParams_BRENK_get() |
static void |
FilterCatalogParams_fillCatalog(long jarg1,
FilterCatalogParams jarg1_,
long jarg2,
FilterCatalog jarg2_) |
static long |
FilterCatalogParams_getCatalogs(long jarg1,
FilterCatalogParams jarg1_) |
static void |
FilterCatalogParams_initFromStream(long jarg1,
FilterCatalogParams jarg1_,
long jarg2) |
static void |
FilterCatalogParams_initFromString(long jarg1,
FilterCatalogParams jarg1_,
java.lang.String jarg2) |
static int |
FilterCatalogParams_NIH_get() |
static int |
FilterCatalogParams_PAINS_A_get() |
static int |
FilterCatalogParams_PAINS_B_get() |
static int |
FilterCatalogParams_PAINS_C_get() |
static int |
FilterCatalogParams_PAINS_get() |
static java.lang.String |
FilterCatalogParams_Serialize(long jarg1,
FilterCatalogParams jarg1_) |
static long |
FilterCatalogParams_SWIGUpcast(long jarg1) |
static void |
FilterCatalogParams_toStream(long jarg1,
FilterCatalogParams jarg1_,
long jarg2) |
static int |
FilterCatalogParams_ZINC_get() |
static long |
FilterMatch_atomPairs_get(long jarg1,
FilterMatch jarg1_) |
static void |
FilterMatch_atomPairs_set(long jarg1,
FilterMatch jarg1_,
long jarg2,
Match_Vect jarg2_) |
static long |
FilterMatch_filterMatch_get(long jarg1,
FilterMatch jarg1_) |
static void |
FilterMatch_filterMatch_set(long jarg1,
FilterMatch jarg1_,
long jarg2) |
static long |
FilterMatch_getAtomMatches(long jarg1,
FilterMatch jarg1_) |
static void |
FilterMatch_Vect_add(long jarg1,
FilterMatch_Vect jarg1_,
long jarg2,
FilterMatch jarg2_) |
static long |
FilterMatch_Vect_capacity(long jarg1,
FilterMatch_Vect jarg1_) |
static void |
FilterMatch_Vect_clear(long jarg1,
FilterMatch_Vect jarg1_) |
static boolean |
FilterMatch_Vect_equals(long jarg1,
FilterMatch_Vect jarg1_,
long jarg2,
FilterMatch_Vect jarg2_) |
static long |
FilterMatch_Vect_get(long jarg1,
FilterMatch_Vect jarg1_,
int jarg2) |
static boolean |
FilterMatch_Vect_isEmpty(long jarg1,
FilterMatch_Vect jarg1_) |
static void |
FilterMatch_Vect_reserve(long jarg1,
FilterMatch_Vect jarg1_,
long jarg2) |
static void |
FilterMatch_Vect_set(long jarg1,
FilterMatch_Vect jarg1_,
int jarg2,
long jarg3,
FilterMatch jarg3_) |
static long |
FilterMatch_Vect_size(long jarg1,
FilterMatch_Vect jarg1_) |
static long |
FilterMatcherBase_Clone(long jarg1,
FilterMatcherBase jarg1_) |
static long |
FilterMatcherBase_copy(long jarg1,
FilterMatcherBase jarg1_) |
static boolean |
FilterMatcherBase_getMatches(long jarg1,
FilterMatcherBase jarg1_,
long jarg2,
ROMol jarg2_,
long jarg3,
FilterMatch_Vect jarg3_) |
static java.lang.String |
FilterMatcherBase_getName(long jarg1,
FilterMatcherBase jarg1_) |
static boolean |
FilterMatcherBase_hasMatch(long jarg1,
FilterMatcherBase jarg1_,
long jarg2,
ROMol jarg2_) |
static boolean |
FilterMatcherBase_isValid(long jarg1,
FilterMatcherBase jarg1_) |
static long |
findAllPathsOfLengthN__SWIG_0(long jarg1,
ROMol jarg1_,
long jarg2,
boolean jarg3,
boolean jarg4,
int jarg5) |
static long |
findAllPathsOfLengthN__SWIG_1(long jarg1,
ROMol jarg1_,
long jarg2,
boolean jarg3,
boolean jarg4) |
static long |
findAllPathsOfLengthN__SWIG_2(long jarg1,
ROMol jarg1_,
long jarg2,
boolean jarg3) |
static long |
findAllPathsOfLengthN__SWIG_3(long jarg1,
ROMol jarg1_,
long jarg2) |
static long |
findAllPathsOfLengthsMtoN__SWIG_0(long jarg1,
ROMol jarg1_,
long jarg2,
long jarg3,
boolean jarg4,
boolean jarg5,
int jarg6) |
static long |
findAllPathsOfLengthsMtoN__SWIG_1(long jarg1,
ROMol jarg1_,
long jarg2,
long jarg3,
boolean jarg4,
boolean jarg5) |
static long |
findAllPathsOfLengthsMtoN__SWIG_2(long jarg1,
ROMol jarg1_,
long jarg2,
long jarg3,
boolean jarg4) |
static long |
findAllPathsOfLengthsMtoN__SWIG_3(long jarg1,
ROMol jarg1_,
long jarg2,
long jarg3) |
static long |
findAllSubgraphsOfLengthN__SWIG_0(long jarg1,
ROMol jarg1_,
long jarg2,
boolean jarg3,
int jarg4) |
static long |
findAllSubgraphsOfLengthN__SWIG_1(long jarg1,
ROMol jarg1_,
long jarg2,
boolean jarg3) |
static long |
findAllSubgraphsOfLengthN__SWIG_2(long jarg1,
ROMol jarg1_,
long jarg2) |
static long |
findAllSubgraphsOfLengthsMtoN__SWIG_0(long jarg1,
ROMol jarg1_,
long jarg2,
long jarg3,
boolean jarg4,
int jarg5) |
static long |
findAllSubgraphsOfLengthsMtoN__SWIG_1(long jarg1,
ROMol jarg1_,
long jarg2,
long jarg3,
boolean jarg4) |
static long |
findAllSubgraphsOfLengthsMtoN__SWIG_2(long jarg1,
ROMol jarg1_,
long jarg2,
long jarg3) |
static long |
findAtomEnvironmentOfRadiusN__SWIG_0(long jarg1,
ROMol jarg1_,
long jarg2,
long jarg3,
boolean jarg4) |
static long |
findAtomEnvironmentOfRadiusN__SWIG_1(long jarg1,
ROMol jarg1_,
long jarg2,
long jarg3) |
static long |
findMCS__SWIG_0(long jarg1,
ROMol_Vect jarg1_) |
static long |
findMCS__SWIG_1(long jarg1,
ROMol_Vect jarg1_,
boolean jarg2,
double jarg3,
long jarg4,
boolean jarg5,
boolean jarg6,
boolean jarg7,
boolean jarg8,
boolean jarg9,
int jarg10,
int jarg11,
int jarg12) |
static long |
findMCS__SWIG_10(long jarg1,
ROMol_Vect jarg1_,
boolean jarg2,
double jarg3) |
static long |
findMCS__SWIG_11(long jarg1,
ROMol_Vect jarg1_,
boolean jarg2) |
static long |
findMCS__SWIG_2(long jarg1,
ROMol_Vect jarg1_,
boolean jarg2,
double jarg3,
long jarg4,
boolean jarg5,
boolean jarg6,
boolean jarg7,
boolean jarg8,
boolean jarg9,
int jarg10,
int jarg11) |
static long |
findMCS__SWIG_3(long jarg1,
ROMol_Vect jarg1_,
boolean jarg2,
double jarg3,
long jarg4,
boolean jarg5,
boolean jarg6,
boolean jarg7,
boolean jarg8,
boolean jarg9,
int jarg10) |
static long |
findMCS__SWIG_4(long jarg1,
ROMol_Vect jarg1_,
boolean jarg2,
double jarg3,
long jarg4,
boolean jarg5,
boolean jarg6,
boolean jarg7,
boolean jarg8,
boolean jarg9) |
static long |
findMCS__SWIG_5(long jarg1,
ROMol_Vect jarg1_,
boolean jarg2,
double jarg3,
long jarg4,
boolean jarg5,
boolean jarg6,
boolean jarg7,
boolean jarg8) |
static long |
findMCS__SWIG_6(long jarg1,
ROMol_Vect jarg1_,
boolean jarg2,
double jarg3,
long jarg4,
boolean jarg5,
boolean jarg6,
boolean jarg7) |
static long |
findMCS__SWIG_7(long jarg1,
ROMol_Vect jarg1_,
boolean jarg2,
double jarg3,
long jarg4,
boolean jarg5,
boolean jarg6) |
static long |
findMCS__SWIG_8(long jarg1,
ROMol_Vect jarg1_,
boolean jarg2,
double jarg3,
long jarg4,
boolean jarg5) |
static long |
findMCS__SWIG_9(long jarg1,
ROMol_Vect jarg1_,
boolean jarg2,
double jarg3,
long jarg4) |
static long |
findMCS_P(long jarg1,
ROMol_Vect jarg1_,
java.lang.String jarg2) |
static void |
findPotentialStereoBonds__SWIG_0(long jarg1,
ROMol jarg1_,
boolean jarg2) |
static void |
findPotentialStereoBonds__SWIG_1(long jarg1,
ROMol jarg1_) |
static int |
findSSSR__SWIG_0(long jarg1,
ROMol jarg1_,
long jarg2,
Int_Vect_Vect jarg2_) |
static int |
findSSSR__SWIG_2(long jarg1,
ROMol jarg1_) |
static long |
findUniqueSubgraphsOfLengthN__SWIG_0(long jarg1,
ROMol jarg1_,
long jarg2,
boolean jarg3,
boolean jarg4,
int jarg5) |
static long |
findUniqueSubgraphsOfLengthN__SWIG_1(long jarg1,
ROMol jarg1_,
long jarg2,
boolean jarg3,
boolean jarg4) |
static long |
findUniqueSubgraphsOfLengthN__SWIG_2(long jarg1,
ROMol jarg1_,
long jarg2,
boolean jarg3) |
static long |
findUniqueSubgraphsOfLengthN__SWIG_3(long jarg1,
ROMol jarg1_,
long jarg2) |
static long |
Flagged_Atomic_Params_Vect_first_get(long jarg1,
Flagged_Atomic_Params_Vect jarg1_) |
static void |
Flagged_Atomic_Params_Vect_first_set(long jarg1,
Flagged_Atomic_Params_Vect jarg1_,
long jarg2,
Atomic_Params_Vect jarg2_) |
static boolean |
Flagged_Atomic_Params_Vect_second_get(long jarg1,
Flagged_Atomic_Params_Vect jarg1_) |
static void |
Flagged_Atomic_Params_Vect_second_set(long jarg1,
Flagged_Atomic_Params_Vect jarg1_,
boolean jarg2) |
static float |
Float_Pair_first_get(long jarg1,
Float_Pair jarg1_) |
static void |
Float_Pair_first_set(long jarg1,
Float_Pair jarg1_,
float jarg2) |
static float |
Float_Pair_second_get(long jarg1,
Float_Pair jarg1_) |
static void |
Float_Pair_second_set(long jarg1,
Float_Pair jarg1_,
float jarg2) |
static void |
Float_Pair_Vect_add(long jarg1,
Float_Pair_Vect jarg1_,
long jarg2,
Float_Pair jarg2_) |
static long |
Float_Pair_Vect_capacity(long jarg1,
Float_Pair_Vect jarg1_) |
static void |
Float_Pair_Vect_clear(long jarg1,
Float_Pair_Vect jarg1_) |
static boolean |
Float_Pair_Vect_equals(long jarg1,
Float_Pair_Vect jarg1_,
long jarg2,
Float_Pair_Vect jarg2_) |
static long |
Float_Pair_Vect_get(long jarg1,
Float_Pair_Vect jarg1_,
int jarg2) |
static boolean |
Float_Pair_Vect_isEmpty(long jarg1,
Float_Pair_Vect jarg1_) |
static void |
Float_Pair_Vect_reserve(long jarg1,
Float_Pair_Vect jarg1_,
long jarg2) |
static void |
Float_Pair_Vect_set(long jarg1,
Float_Pair_Vect jarg1_,
int jarg2,
long jarg3,
Float_Pair jarg3_) |
static long |
Float_Pair_Vect_size(long jarg1,
Float_Pair_Vect jarg1_) |
static long |
FoldFingerprint__SWIG_2(long jarg1,
ExplicitBitVect jarg1_,
long jarg2) |
static long |
FoldFingerprint__SWIG_3(long jarg1,
ExplicitBitVect jarg1_) |
static double |
ForceField_calcEnergy__SWIG_0(long jarg1,
ForceField jarg1_,
long jarg2,
Double_Vect jarg2_) |
static double |
ForceField_calcEnergy__SWIG_1(long jarg1,
ForceField jarg1_) |
static double |
ForceField_calcEnergy__SWIG_2(long jarg1,
ForceField jarg1_,
long jarg2) |
static void |
ForceField_calcGrad__SWIG_0(long jarg1,
ForceField jarg1_,
long jarg2) |
static void |
ForceField_calcGrad__SWIG_1(long jarg1,
ForceField jarg1_,
long jarg2,
long jarg3) |
static long |
ForceField_contribs__SWIG_0(long jarg1,
ForceField jarg1_) |
static long |
ForceField_dimension(long jarg1,
ForceField jarg1_) |
static double |
ForceField_distance__SWIG_0(long jarg1,
ForceField jarg1_,
long jarg2,
long jarg3,
long jarg4) |
static double |
ForceField_distance__SWIG_1(long jarg1,
ForceField jarg1_,
long jarg2,
long jarg3) |
static long |
ForceField_fixedPoints__SWIG_0(long jarg1,
ForceField jarg1_) |
static void |
ForceField_initialize(long jarg1,
ForceField jarg1_) |
static int |
ForceField_minimize__SWIG_0(long jarg1,
ForceField jarg1_,
long jarg2,
long jarg3,
long jarg4,
double jarg5,
double jarg6) |
static int |
ForceField_minimize__SWIG_1(long jarg1,
ForceField jarg1_,
long jarg2,
long jarg3,
long jarg4,
double jarg5) |
static int |
ForceField_minimize__SWIG_2(long jarg1,
ForceField jarg1_,
long jarg2,
long jarg3,
long jarg4) |
static int |
ForceField_minimize__SWIG_3(long jarg1,
ForceField jarg1_,
long jarg2,
long jarg3) |
static int |
ForceField_minimize__SWIG_4(long jarg1,
ForceField jarg1_,
long jarg2,
double jarg3,
double jarg4) |
static int |
ForceField_minimize__SWIG_5(long jarg1,
ForceField jarg1_,
long jarg2,
double jarg3) |
static int |
ForceField_minimize__SWIG_6(long jarg1,
ForceField jarg1_,
long jarg2) |
static int |
ForceField_minimize__SWIG_7(long jarg1,
ForceField jarg1_) |
static long |
ForceField_MMFFGetMoleculeForceField__SWIG_0(long jarg1,
ROMol jarg1_,
java.lang.String jarg2,
double jarg3,
int jarg4,
boolean jarg5) |
static long |
ForceField_MMFFGetMoleculeForceField__SWIG_1(long jarg1,
ROMol jarg1_,
java.lang.String jarg2,
double jarg3,
int jarg4) |
static long |
ForceField_MMFFGetMoleculeForceField__SWIG_2(long jarg1,
ROMol jarg1_,
java.lang.String jarg2,
double jarg3) |
static long |
ForceField_MMFFGetMoleculeForceField__SWIG_3(long jarg1,
ROMol jarg1_,
java.lang.String jarg2) |
static long |
ForceField_MMFFGetMoleculeForceField__SWIG_4(long jarg1,
ROMol jarg1_) |
static boolean |
ForceField_MMFFHasAllMoleculeParams(long jarg1,
ROMol jarg1_) |
static int |
ForceField_MMFFOptimizeMolecule__SWIG_0(long jarg1,
ROMol jarg1_,
java.lang.String jarg2,
int jarg3,
double jarg4,
int jarg5,
boolean jarg6) |
static int |
ForceField_MMFFOptimizeMolecule__SWIG_1(long jarg1,
ROMol jarg1_,
java.lang.String jarg2,
int jarg3,
double jarg4,
int jarg5) |
static int |
ForceField_MMFFOptimizeMolecule__SWIG_2(long jarg1,
ROMol jarg1_,
java.lang.String jarg2,
int jarg3,
double jarg4) |
static int |
ForceField_MMFFOptimizeMolecule__SWIG_3(long jarg1,
ROMol jarg1_,
java.lang.String jarg2,
int jarg3) |
static int |
ForceField_MMFFOptimizeMolecule__SWIG_4(long jarg1,
ROMol jarg1_,
java.lang.String jarg2) |
static int |
ForceField_MMFFOptimizeMolecule__SWIG_5(long jarg1,
ROMol jarg1_) |
static long |
ForceField_numPoints(long jarg1,
ForceField jarg1_) |
static long |
ForceField_positions3D(long jarg1,
ForceField jarg1_) |
static void |
ForceField_UFFAddAtomChargeFlags__SWIG_0(long jarg1,
Atom jarg1_,
long jarg2,
boolean jarg3) |
static void |
ForceField_UFFAddAtomChargeFlags__SWIG_1(long jarg1,
Atom jarg1_,
long jarg2) |
static java.lang.String |
ForceField_UFFGetAtomLabel(long jarg1,
Atom jarg1_) |
static long |
ForceField_UFFGetAtomTypes__SWIG_0(long jarg1,
ROMol jarg1_,
java.lang.String jarg2) |
static long |
ForceField_UFFGetAtomTypes__SWIG_1(long jarg1,
ROMol jarg1_) |
static long |
ForceField_UFFGetMoleculeForceField__SWIG_0(long jarg1,
ROMol jarg1_,
double jarg2,
int jarg3,
boolean jarg4) |
static long |
ForceField_UFFGetMoleculeForceField__SWIG_1(long jarg1,
ROMol jarg1_,
double jarg2,
int jarg3) |
static long |
ForceField_UFFGetMoleculeForceField__SWIG_2(long jarg1,
ROMol jarg1_,
double jarg2) |
static long |
ForceField_UFFGetMoleculeForceField__SWIG_3(long jarg1,
ROMol jarg1_) |
static boolean |
ForceField_UFFHasAllMoleculeParams(long jarg1,
ROMol jarg1_) |
static int |
ForceField_UFFOptimizeMolecule__SWIG_0(long jarg1,
ROMol jarg1_,
int jarg2,
double jarg3,
int jarg4,
boolean jarg5) |
static int |
ForceField_UFFOptimizeMolecule__SWIG_1(long jarg1,
ROMol jarg1_,
int jarg2,
double jarg3,
int jarg4) |
static int |
ForceField_UFFOptimizeMolecule__SWIG_2(long jarg1,
ROMol jarg1_,
int jarg2,
double jarg3) |
static int |
ForceField_UFFOptimizeMolecule__SWIG_3(long jarg1,
ROMol jarg1_,
int jarg2) |
static int |
ForceField_UFFOptimizeMolecule__SWIG_4(long jarg1,
ROMol jarg1_) |
static long |
ForceFieldContrib_copy(long jarg1,
ForceFieldContrib jarg1_) |
static double |
ForceFieldContrib_getEnergy(long jarg1,
ForceFieldContrib jarg1_,
long jarg2) |
static void |
ForceFieldContrib_getGrad(long jarg1,
ForceFieldContrib jarg1_,
long jarg2,
long jarg3) |
static boolean |
ForwardSDMolSupplier_atEnd(long jarg1,
ForwardSDMolSupplier jarg1_) |
static boolean |
ForwardSDMolSupplier_getEOFHitOnRead(long jarg1,
ForwardSDMolSupplier jarg1_) |
static boolean |
ForwardSDMolSupplier_getProcessPropertyLists(long jarg1,
ForwardSDMolSupplier jarg1_) |
static void |
ForwardSDMolSupplier_init(long jarg1,
ForwardSDMolSupplier jarg1_) |
static long |
ForwardSDMolSupplier_next(long jarg1,
ForwardSDMolSupplier jarg1_) |
static void |
ForwardSDMolSupplier_reset(long jarg1,
ForwardSDMolSupplier jarg1_) |
static void |
ForwardSDMolSupplier_setProcessPropertyLists(long jarg1,
ForwardSDMolSupplier jarg1_,
boolean jarg2) |
static long |
ForwardSDMolSupplier_SWIGUpcast(long jarg1) |
static long |
FPHolderBase_addFingerprint(long jarg1,
FPHolderBase jarg1_,
long jarg2,
ExplicitBitVect jarg2_) |
static long |
FPHolderBase_addMol(long jarg1,
FPHolderBase jarg1_,
long jarg2,
ROMol jarg2_) |
static long |
FPHolderBase_getFingerprint(long jarg1,
FPHolderBase jarg1_,
long jarg2) |
static long |
FPHolderBase_getFingerprints__SWIG_0(long jarg1,
FPHolderBase jarg1_) |
static long |
FPHolderBase_makeFingerprint(long jarg1,
FPHolderBase jarg1_,
long jarg2,
ROMol jarg2_) |
static boolean |
FPHolderBase_passesFilter(long jarg1,
FPHolderBase jarg1_,
long jarg2,
long jarg3,
ExplicitBitVect jarg3_) |
static java.lang.String |
FractionCSP3Version_get() |
static long |
FragmenterBondType_atom1Label_get(long jarg1,
FragmenterBondType jarg1_) |
static void |
FragmenterBondType_atom1Label_set(long jarg1,
FragmenterBondType jarg1_,
long jarg2) |
static long |
FragmenterBondType_atom1Type_get(long jarg1,
FragmenterBondType jarg1_) |
static void |
FragmenterBondType_atom1Type_set(long jarg1,
FragmenterBondType jarg1_,
long jarg2) |
static long |
FragmenterBondType_atom2Label_get(long jarg1,
FragmenterBondType jarg1_) |
static void |
FragmenterBondType_atom2Label_set(long jarg1,
FragmenterBondType jarg1_,
long jarg2) |
static long |
FragmenterBondType_atom2Type_get(long jarg1,
FragmenterBondType jarg1_) |
static void |
FragmenterBondType_atom2Type_set(long jarg1,
FragmenterBondType jarg1_,
long jarg2) |
static int |
FragmenterBondType_bondType_get(long jarg1,
FragmenterBondType jarg1_) |
static void |
FragmenterBondType_bondType_set(long jarg1,
FragmenterBondType jarg1_,
int jarg2) |
static long |
FragmenterBondType_query_get(long jarg1,
FragmenterBondType jarg1_) |
static void |
FragmenterBondType_query_set(long jarg1,
FragmenterBondType jarg1_,
long jarg2,
ROMol jarg2_) |
static long |
fragmentOnBRICSBonds(long jarg1,
ROMol jarg1_) |
static long |
fragmentParent__SWIG_0(long jarg1,
RWMol jarg1_,
long jarg2,
CleanupParameters jarg2_,
boolean jarg3) |
static long |
fragmentParent__SWIG_1(long jarg1,
RWMol jarg1_,
long jarg2,
CleanupParameters jarg2_) |
static long |
fragmentParent__SWIG_2(long jarg1,
RWMol jarg1_) |
static void |
FromBitString(long jarg1,
ExplicitBitVect jarg1_,
java.lang.String jarg2) |
static void |
FromDaylightString(long jarg1,
ExplicitBitVect jarg1_,
java.lang.String jarg2) |
static double |
G_get() |
static long |
generateBondHashes(long jarg1,
ROMol jarg1_,
long jarg2,
long jarg3,
long jarg4,
long jarg5,
Int_Vect jarg5_,
boolean jarg6,
long jarg7,
UInt_Vect jarg7_) |
static java.lang.String |
GenericRDKitException_message(long jarg1,
GenericRDKitException jarg1_) |
static long |
get3DDistanceMat__SWIG_0(long jarg1,
ROMol jarg1_,
int jarg2,
boolean jarg3,
boolean jarg4,
java.lang.String jarg5) |
static long |
get3DDistanceMat__SWIG_1(long jarg1,
ROMol jarg1_,
int jarg2,
boolean jarg3,
boolean jarg4) |
static long |
get3DDistanceMat__SWIG_2(long jarg1,
ROMol jarg1_,
int jarg2,
boolean jarg3) |
static long |
get3DDistanceMat__SWIG_3(long jarg1,
ROMol jarg1_,
int jarg2) |
static long |
get3DDistanceMat__SWIG_4(long jarg1,
ROMol jarg1_) |
static long |
getAdjacencyMatrix__SWIG_0(long jarg1,
ROMol jarg1_,
boolean jarg2,
int jarg3,
boolean jarg4,
java.lang.String jarg5,
long jarg6) |
static long |
getAdjacencyMatrix__SWIG_1(long jarg1,
ROMol jarg1_,
boolean jarg2,
int jarg3,
boolean jarg4,
java.lang.String jarg5) |
static long |
getAdjacencyMatrix__SWIG_2(long jarg1,
ROMol jarg1_,
boolean jarg2,
int jarg3,
boolean jarg4) |
static long |
getAdjacencyMatrix__SWIG_3(long jarg1,
ROMol jarg1_,
boolean jarg2,
int jarg3) |
static long |
getAdjacencyMatrix__SWIG_4(long jarg1,
ROMol jarg1_,
boolean jarg2) |
static long |
getAdjacencyMatrix__SWIG_5(long jarg1,
ROMol jarg1_) |
static double |
getAngleDeg(long jarg1,
Conformer jarg1_,
long jarg2,
long jarg3,
long jarg4) |
static double |
getAngleRad(long jarg1,
Conformer jarg1_,
long jarg2,
long jarg3,
long jarg4) |
static java.lang.String |
getAtomAlias(long jarg1,
Atom jarg1_) |
static long |
getAtomCode__SWIG_0(long jarg1,
Atom jarg1_,
long jarg2,
boolean jarg3) |
static long |
getAtomCode__SWIG_1(long jarg1,
Atom jarg1_,
long jarg2) |
static long |
getAtomCode__SWIG_2(long jarg1,
Atom jarg1_) |
static long |
getAtomPairCode__SWIG_0(long jarg1,
long jarg2,
long jarg3,
boolean jarg4) |
static long |
getAtomPairCode__SWIG_1(long jarg1,
long jarg2,
long jarg3) |
static long |
getAtomPairFingerprint__SWIG_0(long jarg1,
ROMol jarg1_,
long jarg2,
long jarg3,
long jarg4,
UInt_Vect jarg4_,
long jarg5,
UInt_Vect jarg5_,
long jarg6,
UInt_Vect jarg6_,
boolean jarg7,
boolean jarg8,
int jarg9) |
static long |
getAtomPairFingerprint__SWIG_1(long jarg1,
ROMol jarg1_,
long jarg2,
long jarg3,
long jarg4,
UInt_Vect jarg4_,
long jarg5,
UInt_Vect jarg5_,
long jarg6,
UInt_Vect jarg6_,
boolean jarg7,
boolean jarg8) |
static long |
getAtomPairFingerprint__SWIG_10(long jarg1,
ROMol jarg1_,
long jarg2,
UInt_Vect jarg2_,
long jarg3,
UInt_Vect jarg3_,
long jarg4,
UInt_Vect jarg4_) |
static long |
getAtomPairFingerprint__SWIG_11(long jarg1,
ROMol jarg1_,
long jarg2,
UInt_Vect jarg2_,
long jarg3,
UInt_Vect jarg3_) |
static long |
getAtomPairFingerprint__SWIG_12(long jarg1,
ROMol jarg1_,
long jarg2,
UInt_Vect jarg2_) |
static long |
getAtomPairFingerprint__SWIG_13(long jarg1,
ROMol jarg1_) |
static long |
getAtomPairFingerprint__SWIG_2(long jarg1,
ROMol jarg1_,
long jarg2,
long jarg3,
long jarg4,
UInt_Vect jarg4_,
long jarg5,
UInt_Vect jarg5_,
long jarg6,
UInt_Vect jarg6_,
boolean jarg7) |
static long |
getAtomPairFingerprint__SWIG_3(long jarg1,
ROMol jarg1_,
long jarg2,
long jarg3,
long jarg4,
UInt_Vect jarg4_,
long jarg5,
UInt_Vect jarg5_,
long jarg6,
UInt_Vect jarg6_) |
static long |
getAtomPairFingerprint__SWIG_4(long jarg1,
ROMol jarg1_,
long jarg2,
long jarg3,
long jarg4,
UInt_Vect jarg4_,
long jarg5,
UInt_Vect jarg5_) |
static long |
getAtomPairFingerprint__SWIG_5(long jarg1,
ROMol jarg1_,
long jarg2,
long jarg3,
long jarg4,
UInt_Vect jarg4_) |
static long |
getAtomPairFingerprint__SWIG_6(long jarg1,
ROMol jarg1_,
long jarg2,
long jarg3) |
static long |
getAtomPairFingerprint__SWIG_7(long jarg1,
ROMol jarg1_,
long jarg2,
UInt_Vect jarg2_,
long jarg3,
UInt_Vect jarg3_,
long jarg4,
UInt_Vect jarg4_,
boolean jarg5,
boolean jarg6,
int jarg7) |
static long |
getAtomPairFingerprint__SWIG_8(long jarg1,
ROMol jarg1_,
long jarg2,
UInt_Vect jarg2_,
long jarg3,
UInt_Vect jarg3_,
long jarg4,
UInt_Vect jarg4_,
boolean jarg5,
boolean jarg6) |
static long |
getAtomPairFingerprint__SWIG_9(long jarg1,
ROMol jarg1_,
long jarg2,
UInt_Vect jarg2_,
long jarg3,
UInt_Vect jarg3_,
long jarg4,
UInt_Vect jarg4_,
boolean jarg5) |
static int |
getAtomRLabel(long jarg1,
Atom jarg1_) |
static java.lang.String |
GetAtomSmarts(long jarg1,
QueryAtom jarg1_) |
static java.lang.String |
GetAtomSmiles__SWIG_0(long jarg1,
Atom jarg1_,
boolean jarg2,
long jarg3,
Bond jarg3_,
boolean jarg4,
boolean jarg5) |
static java.lang.String |
GetAtomSmiles__SWIG_1(long jarg1,
Atom jarg1_,
boolean jarg2,
long jarg3,
Bond jarg3_,
boolean jarg4) |
static java.lang.String |
GetAtomSmiles__SWIG_2(long jarg1,
Atom jarg1_,
boolean jarg2,
long jarg3,
Bond jarg3_) |
static java.lang.String |
GetAtomSmiles__SWIG_3(long jarg1,
Atom jarg1_,
boolean jarg2) |
static java.lang.String |
GetAtomSmiles__SWIG_4(long jarg1,
Atom jarg1_) |
static int |
getAtomTypeAtomicNum(int jarg1) |
static boolean |
getAtomTypeIsAromatic(int jarg1) |
static java.lang.String |
getAtomValue(long jarg1,
Atom jarg1_) |
static void |
getAvalonCountFP__SWIG_0(long jarg1,
ROMol jarg1_,
long jarg2,
SparseIntVectu32 jarg2_,
long jarg3,
boolean jarg4,
boolean jarg5,
long jarg6) |
static void |
getAvalonCountFP__SWIG_1(long jarg1,
ROMol jarg1_,
long jarg2,
SparseIntVectu32 jarg2_,
long jarg3,
boolean jarg4,
boolean jarg5) |
static void |
getAvalonCountFP__SWIG_2(long jarg1,
ROMol jarg1_,
long jarg2,
SparseIntVectu32 jarg2_,
long jarg3,
boolean jarg4) |
static void |
getAvalonCountFP__SWIG_3(long jarg1,
ROMol jarg1_,
long jarg2,
SparseIntVectu32 jarg2_,
long jarg3) |
static void |
getAvalonCountFP__SWIG_4(long jarg1,
ROMol jarg1_,
long jarg2,
SparseIntVectu32 jarg2_) |
static void |
getAvalonCountFP__SWIG_5(java.lang.String jarg1,
boolean jarg2,
long jarg3,
SparseIntVectu32 jarg3_,
long jarg4,
boolean jarg5,
long jarg6) |
static void |
getAvalonCountFP__SWIG_6(java.lang.String jarg1,
boolean jarg2,
long jarg3,
SparseIntVectu32 jarg3_,
long jarg4,
boolean jarg5) |
static void |
getAvalonCountFP__SWIG_7(java.lang.String jarg1,
boolean jarg2,
long jarg3,
SparseIntVectu32 jarg3_,
long jarg4) |
static void |
getAvalonCountFP__SWIG_8(java.lang.String jarg1,
boolean jarg2,
long jarg3,
SparseIntVectu32 jarg3_) |
static void |
getAvalonFP__SWIG_0(long jarg1,
ROMol jarg1_,
long jarg2,
ExplicitBitVect jarg2_,
long jarg3,
boolean jarg4,
boolean jarg5,
long jarg6) |
static void |
getAvalonFP__SWIG_1(long jarg1,
ROMol jarg1_,
long jarg2,
ExplicitBitVect jarg2_,
long jarg3,
boolean jarg4,
boolean jarg5) |
static void |
getAvalonFP__SWIG_10(java.lang.String jarg1,
boolean jarg2,
long jarg3,
ExplicitBitVect jarg3_,
long jarg4,
boolean jarg5,
boolean jarg6,
long jarg7) |
static void |
getAvalonFP__SWIG_11(java.lang.String jarg1,
boolean jarg2,
long jarg3,
ExplicitBitVect jarg3_,
long jarg4,
boolean jarg5,
boolean jarg6) |
static void |
getAvalonFP__SWIG_12(java.lang.String jarg1,
boolean jarg2,
long jarg3,
ExplicitBitVect jarg3_,
long jarg4,
boolean jarg5) |
static void |
getAvalonFP__SWIG_13(java.lang.String jarg1,
boolean jarg2,
long jarg3,
ExplicitBitVect jarg3_,
long jarg4) |
static void |
getAvalonFP__SWIG_14(java.lang.String jarg1,
boolean jarg2,
long jarg3,
ExplicitBitVect jarg3_) |
static void |
getAvalonFP__SWIG_15(java.lang.String jarg1,
boolean jarg2,
long jarg3,
UInt_Vect jarg3_,
long jarg4,
boolean jarg5,
boolean jarg6,
long jarg7) |
static void |
getAvalonFP__SWIG_16(java.lang.String jarg1,
boolean jarg2,
long jarg3,
UInt_Vect jarg3_,
long jarg4,
boolean jarg5,
boolean jarg6) |
static void |
getAvalonFP__SWIG_17(java.lang.String jarg1,
boolean jarg2,
long jarg3,
UInt_Vect jarg3_,
long jarg4,
boolean jarg5) |
static void |
getAvalonFP__SWIG_18(java.lang.String jarg1,
boolean jarg2,
long jarg3,
UInt_Vect jarg3_,
long jarg4) |
static void |
getAvalonFP__SWIG_19(java.lang.String jarg1,
boolean jarg2,
long jarg3,
UInt_Vect jarg3_) |
static void |
getAvalonFP__SWIG_2(long jarg1,
ROMol jarg1_,
long jarg2,
ExplicitBitVect jarg2_,
long jarg3,
boolean jarg4) |
static void |
getAvalonFP__SWIG_3(long jarg1,
ROMol jarg1_,
long jarg2,
ExplicitBitVect jarg2_,
long jarg3) |
static void |
getAvalonFP__SWIG_4(long jarg1,
ROMol jarg1_,
long jarg2,
ExplicitBitVect jarg2_) |
static void |
getAvalonFP__SWIG_5(long jarg1,
ROMol jarg1_,
long jarg2,
UInt_Vect jarg2_,
long jarg3,
boolean jarg4,
boolean jarg5,
long jarg6) |
static void |
getAvalonFP__SWIG_6(long jarg1,
ROMol jarg1_,
long jarg2,
UInt_Vect jarg2_,
long jarg3,
boolean jarg4,
boolean jarg5) |
static void |
getAvalonFP__SWIG_7(long jarg1,
ROMol jarg1_,
long jarg2,
UInt_Vect jarg2_,
long jarg3,
boolean jarg4) |
static void |
getAvalonFP__SWIG_8(long jarg1,
ROMol jarg1_,
long jarg2,
UInt_Vect jarg2_,
long jarg3) |
static void |
getAvalonFP__SWIG_9(long jarg1,
ROMol jarg1_,
long jarg2,
UInt_Vect jarg2_) |
static double |
getBondLength(long jarg1,
Conformer jarg1_,
long jarg2,
long jarg3) |
static java.lang.String |
GetBondSmarts__SWIG_0(long jarg1,
QueryBond jarg1_,
int jarg2) |
static java.lang.String |
GetBondSmarts__SWIG_1(long jarg1,
QueryBond jarg1_) |
static java.lang.String |
GetBondSmiles__SWIG_0(long jarg1,
Bond jarg1_,
int jarg2,
boolean jarg3,
boolean jarg4) |
static java.lang.String |
GetBondSmiles__SWIG_1(long jarg1,
Bond jarg1_,
int jarg2,
boolean jarg3) |
static java.lang.String |
GetBondSmiles__SWIG_2(long jarg1,
Bond jarg1_,
int jarg2) |
static java.lang.String |
GetBondSmiles__SWIG_3(long jarg1,
Bond jarg1_) |
static java.lang.String |
getCanonSmiles__SWIG_0(long jarg1,
ROMol jarg1_,
int jarg2) |
static java.lang.String |
getCanonSmiles__SWIG_1(long jarg1,
ROMol jarg1_) |
static java.lang.String |
getCanonSmiles__SWIG_2(java.lang.String jarg1,
boolean jarg2,
int jarg3) |
static java.lang.String |
getCanonSmiles__SWIG_3(java.lang.String jarg1,
boolean jarg2) |
static java.lang.String |
getCheckMolLog() |
static void |
getConnectivityInvariants__SWIG_0(long jarg1,
ROMol jarg1_,
long jarg2,
UInt_Vect jarg2_,
boolean jarg3) |
static void |
getConnectivityInvariants__SWIG_1(long jarg1,
ROMol jarg1_,
long jarg2,
UInt_Vect jarg2_) |
static java.lang.String |
getCXExtensions(long jarg1,
ROMol jarg1_) |
static double |
getDihedralDeg(long jarg1,
Conformer jarg1_,
long jarg2,
long jarg3,
long jarg4,
long jarg5) |
static double |
getDihedralRad(long jarg1,
Conformer jarg1_,
long jarg2,
long jarg3,
long jarg4,
long jarg5) |
static long |
getDistanceMat__SWIG_0(long jarg1,
ROMol jarg1_,
boolean jarg2,
boolean jarg3,
boolean jarg4,
java.lang.String jarg5) |
static long |
getDistanceMat__SWIG_1(long jarg1,
ROMol jarg1_,
boolean jarg2,
boolean jarg3,
boolean jarg4) |
static long |
getDistanceMat__SWIG_2(long jarg1,
ROMol jarg1_,
boolean jarg2,
boolean jarg3) |
static long |
getDistanceMat__SWIG_3(long jarg1,
ROMol jarg1_,
boolean jarg2) |
static long |
getDistanceMat__SWIG_4(long jarg1,
ROMol jarg1_) |
static long |
getDistanceMat__SWIG_5(long jarg1,
ROMol jarg1_,
long jarg2,
Int_Vect jarg2_,
long jarg3,
boolean jarg4,
boolean jarg5) |
static long |
getDistanceMat__SWIG_6(long jarg1,
ROMol jarg1_,
long jarg2,
Int_Vect jarg2_,
long jarg3,
boolean jarg4) |
static long |
getDistanceMat__SWIG_7(long jarg1,
ROMol jarg1_,
long jarg2,
Int_Vect jarg2_,
long jarg3) |
static long |
getETDG() |
static long |
getETKDG() |
static long |
getETKDGv2() |
static long |
getFeatureFingerprint__SWIG_0(long jarg1,
ROMol jarg1_,
long jarg2,
boolean jarg3,
boolean jarg4,
boolean jarg5) |
static long |
getFeatureFingerprint__SWIG_1(long jarg1,
ROMol jarg1_,
long jarg2,
boolean jarg3,
boolean jarg4) |
static long |
getFeatureFingerprint__SWIG_2(long jarg1,
ROMol jarg1_,
long jarg2,
boolean jarg3) |
static long |
getFeatureFingerprint__SWIG_3(long jarg1,
ROMol jarg1_,
long jarg2) |
static void |
getFeatureInvariants__SWIG_0(long jarg1,
ROMol jarg1_,
long jarg2,
UInt_Vect jarg2_,
long jarg3) |
static void |
getFeatureInvariants__SWIG_1(long jarg1,
ROMol jarg1_,
long jarg2,
UInt_Vect jarg2_) |
static int |
getFormalCharge(long jarg1,
ROMol jarg1_) |
static long |
getHashedAtomPairFingerprint__SWIG_0(long jarg1,
ROMol jarg1_,
long jarg2,
long jarg3,
long jarg4,
long jarg5,
UInt_Vect jarg5_,
long jarg6,
UInt_Vect jarg6_,
long jarg7,
UInt_Vect jarg7_,
boolean jarg8,
boolean jarg9,
int jarg10) |
static long |
getHashedAtomPairFingerprint__SWIG_1(long jarg1,
ROMol jarg1_,
long jarg2,
long jarg3,
long jarg4,
long jarg5,
UInt_Vect jarg5_,
long jarg6,
UInt_Vect jarg6_,
long jarg7,
UInt_Vect jarg7_,
boolean jarg8,
boolean jarg9) |
static long |
getHashedAtomPairFingerprint__SWIG_2(long jarg1,
ROMol jarg1_,
long jarg2,
long jarg3,
long jarg4,
long jarg5,
UInt_Vect jarg5_,
long jarg6,
UInt_Vect jarg6_,
long jarg7,
UInt_Vect jarg7_,
boolean jarg8) |
static long |
getHashedAtomPairFingerprint__SWIG_3(long jarg1,
ROMol jarg1_,
long jarg2,
long jarg3,
long jarg4,
long jarg5,
UInt_Vect jarg5_,
long jarg6,
UInt_Vect jarg6_,
long jarg7,
UInt_Vect jarg7_) |
static long |
getHashedAtomPairFingerprint__SWIG_4(long jarg1,
ROMol jarg1_,
long jarg2,
long jarg3,
long jarg4,
long jarg5,
UInt_Vect jarg5_,
long jarg6,
UInt_Vect jarg6_) |
static long |
getHashedAtomPairFingerprint__SWIG_5(long jarg1,
ROMol jarg1_,
long jarg2,
long jarg3,
long jarg4,
long jarg5,
UInt_Vect jarg5_) |
static long |
getHashedAtomPairFingerprint__SWIG_6(long jarg1,
ROMol jarg1_,
long jarg2,
long jarg3,
long jarg4) |
static long |
getHashedAtomPairFingerprint__SWIG_7(long jarg1,
ROMol jarg1_,
long jarg2,
long jarg3) |
static long |
getHashedAtomPairFingerprint__SWIG_8(long jarg1,
ROMol jarg1_,
long jarg2) |
static long |
getHashedAtomPairFingerprint__SWIG_9(long jarg1,
ROMol jarg1_) |
static long |
getHashedAtomPairFingerprintAsBitVect__SWIG_0(long jarg1,
ROMol jarg1_,
long jarg2,
long jarg3,
long jarg4,
long jarg5,
UInt_Vect jarg5_,
long jarg6,
UInt_Vect jarg6_,
long jarg7,
UInt_Vect jarg7_,
long jarg8,
boolean jarg9,
boolean jarg10,
int jarg11) |
static long |
getHashedAtomPairFingerprintAsBitVect__SWIG_1(long jarg1,
ROMol jarg1_,
long jarg2,
long jarg3,
long jarg4,
long jarg5,
UInt_Vect jarg5_,
long jarg6,
UInt_Vect jarg6_,
long jarg7,
UInt_Vect jarg7_,
long jarg8,
boolean jarg9,
boolean jarg10) |
static long |
getHashedAtomPairFingerprintAsBitVect__SWIG_10(long jarg1,
ROMol jarg1_) |
static long |
getHashedAtomPairFingerprintAsBitVect__SWIG_2(long jarg1,
ROMol jarg1_,
long jarg2,
long jarg3,
long jarg4,
long jarg5,
UInt_Vect jarg5_,
long jarg6,
UInt_Vect jarg6_,
long jarg7,
UInt_Vect jarg7_,
long jarg8,
boolean jarg9) |
static long |
getHashedAtomPairFingerprintAsBitVect__SWIG_3(long jarg1,
ROMol jarg1_,
long jarg2,
long jarg3,
long jarg4,
long jarg5,
UInt_Vect jarg5_,
long jarg6,
UInt_Vect jarg6_,
long jarg7,
UInt_Vect jarg7_,
long jarg8) |
static long |
getHashedAtomPairFingerprintAsBitVect__SWIG_4(long jarg1,
ROMol jarg1_,
long jarg2,
long jarg3,
long jarg4,
long jarg5,
UInt_Vect jarg5_,
long jarg6,
UInt_Vect jarg6_,
long jarg7,
UInt_Vect jarg7_) |
static long |
getHashedAtomPairFingerprintAsBitVect__SWIG_5(long jarg1,
ROMol jarg1_,
long jarg2,
long jarg3,
long jarg4,
long jarg5,
UInt_Vect jarg5_,
long jarg6,
UInt_Vect jarg6_) |
static long |
getHashedAtomPairFingerprintAsBitVect__SWIG_6(long jarg1,
ROMol jarg1_,
long jarg2,
long jarg3,
long jarg4,
long jarg5,
UInt_Vect jarg5_) |
static long |
getHashedAtomPairFingerprintAsBitVect__SWIG_7(long jarg1,
ROMol jarg1_,
long jarg2,
long jarg3,
long jarg4) |
static long |
getHashedAtomPairFingerprintAsBitVect__SWIG_8(long jarg1,
ROMol jarg1_,
long jarg2,
long jarg3) |
static long |
getHashedAtomPairFingerprintAsBitVect__SWIG_9(long jarg1,
ROMol jarg1_,
long jarg2) |
static long |
getHashedFingerprint__SWIG_0(long jarg1,
ROMol jarg1_,
long jarg2,
long jarg3,
long jarg4,
UInt_Vect jarg4_,
long jarg5,
UInt_Vect jarg5_,
boolean jarg6,
boolean jarg7,
boolean jarg8,
long jarg9,
BitInfoMap jarg9_) |
static long |
getHashedFingerprint__SWIG_1(long jarg1,
ROMol jarg1_,
long jarg2,
long jarg3,
long jarg4,
UInt_Vect jarg4_,
long jarg5,
UInt_Vect jarg5_,
boolean jarg6,
boolean jarg7,
boolean jarg8) |
static long |
getHashedFingerprint__SWIG_2(long jarg1,
ROMol jarg1_,
long jarg2,
long jarg3,
long jarg4,
UInt_Vect jarg4_,
long jarg5,
UInt_Vect jarg5_,
boolean jarg6,
boolean jarg7) |
static long |
getHashedFingerprint__SWIG_3(long jarg1,
ROMol jarg1_,
long jarg2,
long jarg3,
long jarg4,
UInt_Vect jarg4_,
long jarg5,
UInt_Vect jarg5_,
boolean jarg6) |
static long |
getHashedFingerprint__SWIG_4(long jarg1,
ROMol jarg1_,
long jarg2,
long jarg3,
long jarg4,
UInt_Vect jarg4_,
long jarg5,
UInt_Vect jarg5_) |
static long |
getHashedFingerprint__SWIG_5(long jarg1,
ROMol jarg1_,
long jarg2,
long jarg3,
long jarg4,
UInt_Vect jarg4_) |
static long |
getHashedFingerprint__SWIG_6(long jarg1,
ROMol jarg1_,
long jarg2,
long jarg3) |
static long |
getHashedFingerprint__SWIG_7(long jarg1,
ROMol jarg1_,
long jarg2) |
static long |
getHashedTopologicalTorsionFingerprint__SWIG_0(long jarg1,
ROMol jarg1_,
long jarg2,
long jarg3,
long jarg4,
UInt_Vect jarg4_,
long jarg5,
UInt_Vect jarg5_,
long jarg6,
UInt_Vect jarg6_,
boolean jarg7) |
static long |
getHashedTopologicalTorsionFingerprint__SWIG_1(long jarg1,
ROMol jarg1_,
long jarg2,
long jarg3,
long jarg4,
UInt_Vect jarg4_,
long jarg5,
UInt_Vect jarg5_,
long jarg6,
UInt_Vect jarg6_) |
static long |
getHashedTopologicalTorsionFingerprint__SWIG_2(long jarg1,
ROMol jarg1_,
long jarg2,
long jarg3,
long jarg4,
UInt_Vect jarg4_,
long jarg5,
UInt_Vect jarg5_) |
static long |
getHashedTopologicalTorsionFingerprint__SWIG_3(long jarg1,
ROMol jarg1_,
long jarg2,
long jarg3,
long jarg4,
UInt_Vect jarg4_) |
static long |
getHashedTopologicalTorsionFingerprint__SWIG_4(long jarg1,
ROMol jarg1_,
long jarg2,
long jarg3) |
static long |
getHashedTopologicalTorsionFingerprint__SWIG_5(long jarg1,
ROMol jarg1_,
long jarg2) |
static long |
getHashedTopologicalTorsionFingerprint__SWIG_6(long jarg1,
ROMol jarg1_) |
static long |
getHashedTopologicalTorsionFingerprintAsBitVect__SWIG_0(long jarg1,
ROMol jarg1_,
long jarg2,
long jarg3,
long jarg4,
UInt_Vect jarg4_,
long jarg5,
UInt_Vect jarg5_,
long jarg6,
UInt_Vect jarg6_,
long jarg7,
boolean jarg8) |
static long |
getHashedTopologicalTorsionFingerprintAsBitVect__SWIG_1(long jarg1,
ROMol jarg1_,
long jarg2,
long jarg3,
long jarg4,
UInt_Vect jarg4_,
long jarg5,
UInt_Vect jarg5_,
long jarg6,
UInt_Vect jarg6_,
long jarg7) |
static long |
getHashedTopologicalTorsionFingerprintAsBitVect__SWIG_2(long jarg1,
ROMol jarg1_,
long jarg2,
long jarg3,
long jarg4,
UInt_Vect jarg4_,
long jarg5,
UInt_Vect jarg5_,
long jarg6,
UInt_Vect jarg6_) |
static long |
getHashedTopologicalTorsionFingerprintAsBitVect__SWIG_3(long jarg1,
ROMol jarg1_,
long jarg2,
long jarg3,
long jarg4,
UInt_Vect jarg4_,
long jarg5,
UInt_Vect jarg5_) |
static long |
getHashedTopologicalTorsionFingerprintAsBitVect__SWIG_4(long jarg1,
ROMol jarg1_,
long jarg2,
long jarg3,
long jarg4,
UInt_Vect jarg4_) |
static long |
getHashedTopologicalTorsionFingerprintAsBitVect__SWIG_5(long jarg1,
ROMol jarg1_,
long jarg2,
long jarg3) |
static long |
getHashedTopologicalTorsionFingerprintAsBitVect__SWIG_6(long jarg1,
ROMol jarg1_,
long jarg2) |
static long |
getHashedTopologicalTorsionFingerprintAsBitVect__SWIG_7(long jarg1,
ROMol jarg1_) |
static long |
getKDG() |
static double |
getLabuteAtomContribs__SWIG_0(long jarg1,
ROMol jarg1_,
long jarg2,
Double_Vect jarg2_,
long jarg3,
boolean jarg4,
boolean jarg5) |
static double |
getLabuteAtomContribs__SWIG_1(long jarg1,
ROMol jarg1_,
long jarg2,
Double_Vect jarg2_,
long jarg3,
boolean jarg4) |
static double |
getLabuteAtomContribs__SWIG_2(long jarg1,
ROMol jarg1_,
long jarg2,
Double_Vect jarg2_,
long jarg3) |
static long |
getMolFrags__SWIG_0(long jarg1,
ROMol jarg1_,
long jarg2,
Int_Vect jarg2_) |
static long |
getMolFrags__SWIG_1(long jarg1,
ROMol jarg1_,
long jarg2,
Int_Vect_Vect jarg2_) |
static long |
getMolFrags__SWIG_2(long jarg1,
ROMol jarg1_,
boolean jarg2,
long jarg3,
Int_Vect jarg3_,
long jarg4,
Int_Vect_Vect jarg4_,
boolean jarg5) |
static long |
getMolFrags__SWIG_3(long jarg1,
ROMol jarg1_,
boolean jarg2,
long jarg3,
Int_Vect jarg3_,
long jarg4,
Int_Vect_Vect jarg4_) |
static long |
getMolFrags__SWIG_4(long jarg1,
ROMol jarg1_,
boolean jarg2,
long jarg3,
Int_Vect jarg3_) |
static long |
getMolFrags__SWIG_5(long jarg1,
ROMol jarg1_,
boolean jarg2) |
static long |
getMolFrags__SWIG_6(long jarg1,
ROMol jarg1_) |
static long |
getMorganFingerprintAsBitVect__SWIG_0(long jarg1,
ROMol jarg1_,
long jarg2,
long jarg3,
long jarg4,
UInt_Vect jarg4_,
long jarg5,
UInt_Vect jarg5_,
boolean jarg6,
boolean jarg7,
boolean jarg8,
long jarg9,
BitInfoMap jarg9_) |
static long |
getMorganFingerprintAsBitVect__SWIG_1(long jarg1,
ROMol jarg1_,
long jarg2,
long jarg3,
long jarg4,
UInt_Vect jarg4_,
long jarg5,
UInt_Vect jarg5_,
boolean jarg6,
boolean jarg7,
boolean jarg8) |
static long |
getMorganFingerprintAsBitVect__SWIG_2(long jarg1,
ROMol jarg1_,
long jarg2,
long jarg3,
long jarg4,
UInt_Vect jarg4_,
long jarg5,
UInt_Vect jarg5_,
boolean jarg6,
boolean jarg7) |
static long |
getMorganFingerprintAsBitVect__SWIG_3(long jarg1,
ROMol jarg1_,
long jarg2,
long jarg3,
long jarg4,
UInt_Vect jarg4_,
long jarg5,
UInt_Vect jarg5_,
boolean jarg6) |
static long |
getMorganFingerprintAsBitVect__SWIG_4(long jarg1,
ROMol jarg1_,
long jarg2,
long jarg3,
long jarg4,
UInt_Vect jarg4_,
long jarg5,
UInt_Vect jarg5_) |
static long |
getMorganFingerprintAsBitVect__SWIG_5(long jarg1,
ROMol jarg1_,
long jarg2,
long jarg3,
long jarg4,
UInt_Vect jarg4_) |
static long |
getMorganFingerprintAsBitVect__SWIG_6(long jarg1,
ROMol jarg1_,
long jarg2,
long jarg3) |
static long |
getNumAtomsWithDistinctProperty(long jarg1,
ROMol jarg1_,
java.lang.String jarg2) |
static boolean |
getPreferCoordGen() |
static long |
getReactingAtoms__SWIG_0(long jarg1,
ChemicalReaction jarg1_,
boolean jarg2) |
static long |
getReactingAtoms__SWIG_1(long jarg1,
ChemicalReaction jarg1_) |
static long |
getShortestPath(long jarg1,
ROMol jarg1_,
int jarg2,
int jarg3) |
static java.lang.String |
getSupplementalSmilesLabel(long jarg1,
Atom jarg1_) |
static java.math.BigInteger |
getTopologicalTorsionCode__SWIG_0(long jarg1,
UInt_Vect jarg1_,
boolean jarg2) |
static java.math.BigInteger |
getTopologicalTorsionCode__SWIG_1(long jarg1,
UInt_Vect jarg1_) |
static long |
getTopologicalTorsionFingerprint__SWIG_0(long jarg1,
ROMol jarg1_,
long jarg2,
long jarg3,
UInt_Vect jarg3_,
long jarg4,
UInt_Vect jarg4_,
long jarg5,
UInt_Vect jarg5_,
boolean jarg6) |
static long |
getTopologicalTorsionFingerprint__SWIG_1(long jarg1,
ROMol jarg1_,
long jarg2,
long jarg3,
UInt_Vect jarg3_,
long jarg4,
UInt_Vect jarg4_,
long jarg5,
UInt_Vect jarg5_) |
static long |
getTopologicalTorsionFingerprint__SWIG_2(long jarg1,
ROMol jarg1_,
long jarg2,
long jarg3,
UInt_Vect jarg3_,
long jarg4,
UInt_Vect jarg4_) |
static long |
getTopologicalTorsionFingerprint__SWIG_3(long jarg1,
ROMol jarg1_,
long jarg2,
long jarg3,
UInt_Vect jarg3_) |
static long |
getTopologicalTorsionFingerprint__SWIG_4(long jarg1,
ROMol jarg1_,
long jarg2) |
static long |
getTopologicalTorsionFingerprint__SWIG_5(long jarg1,
ROMol jarg1_) |
static long |
getTopologicalTorsionHash(long jarg1,
UInt_Vect jarg1_) |
static double |
getTPSAAtomContribs__SWIG_0(long jarg1,
ROMol jarg1_,
long jarg2,
Double_Vect jarg2_,
boolean jarg3,
boolean jarg4) |
static double |
getTPSAAtomContribs__SWIG_1(long jarg1,
ROMol jarg1_,
long jarg2,
Double_Vect jarg2_,
boolean jarg3) |
static double |
getTPSAAtomContribs__SWIG_2(long jarg1,
ROMol jarg1_,
long jarg2,
Double_Vect jarg2_) |
static long |
getUnfoldedRDKFingerprintMol__SWIG_0(long jarg1,
ROMol jarg1_,
long jarg2,
long jarg3,
boolean jarg4,
boolean jarg5,
boolean jarg6,
long jarg7,
UInt_Vect jarg7_,
long jarg8,
UInt_Vect jarg8_,
long jarg9,
long jarg10) |
static long |
getUnfoldedRDKFingerprintMol__SWIG_1(long jarg1,
ROMol jarg1_,
long jarg2,
long jarg3,
boolean jarg4,
boolean jarg5,
boolean jarg6,
long jarg7,
UInt_Vect jarg7_,
long jarg8,
UInt_Vect jarg8_,
long jarg9) |
static long |
getUnfoldedRDKFingerprintMol__SWIG_2(long jarg1,
ROMol jarg1_,
long jarg2,
long jarg3,
boolean jarg4,
boolean jarg5,
boolean jarg6,
long jarg7,
UInt_Vect jarg7_,
long jarg8,
UInt_Vect jarg8_) |
static long |
getUnfoldedRDKFingerprintMol__SWIG_3(long jarg1,
ROMol jarg1_,
long jarg2,
long jarg3,
boolean jarg4,
boolean jarg5,
boolean jarg6,
long jarg7,
UInt_Vect jarg7_) |
static long |
getUnfoldedRDKFingerprintMol__SWIG_4(long jarg1,
ROMol jarg1_,
long jarg2,
long jarg3,
boolean jarg4,
boolean jarg5,
boolean jarg6) |
static long |
getUnfoldedRDKFingerprintMol__SWIG_5(long jarg1,
ROMol jarg1_,
long jarg2,
long jarg3,
boolean jarg4,
boolean jarg5) |
static long |
getUnfoldedRDKFingerprintMol__SWIG_6(long jarg1,
ROMol jarg1_,
long jarg2,
long jarg3,
boolean jarg4) |
static long |
getUnfoldedRDKFingerprintMol__SWIG_7(long jarg1,
ROMol jarg1_,
long jarg2,
long jarg3) |
static long |
getUnfoldedRDKFingerprintMol__SWIG_8(long jarg1,
ROMol jarg1_,
long jarg2) |
static long |
getUnfoldedRDKFingerprintMol__SWIG_9(long jarg1,
ROMol jarg1_) |
static int |
Greedy_get() |
static int |
GreedyChunks_get() |
static long |
gzstream__GetStream(long jarg1,
gzstream jarg1_) |
static java.lang.String |
gzstream_Dump(long jarg1,
gzstream jarg1_) |
static java.lang.String |
hallKierAlphaVersion_get() |
static int |
HashFunction_AnonymousGraph_get() |
static int |
HashFunction_ArthorSubstructureOrder_get() |
static int |
HashFunction_AtomBondCounts_get() |
static int |
HashFunction_CanonicalSmiles_get() |
static int |
HashFunction_DegreeVector_get() |
static int |
HashFunction_ElementGraph_get() |
static int |
HashFunction_ExtendedMurcko_get() |
static int |
HashFunction_HetAtomProtomer_get() |
static int |
HashFunction_HetAtomTautomer_get() |
static int |
HashFunction_Mesomer_get() |
static int |
HashFunction_MolFormula_get() |
static int |
HashFunction_MurckoScaffold_get() |
static int |
HashFunction_NetCharge_get() |
static int |
HashFunction_RedoxPair_get() |
static int |
HashFunction_Regioisomer_get() |
static int |
HashFunction_SmallWorldIndexBR_get() |
static int |
HashFunction_SmallWorldIndexBRL_get() |
static boolean |
hasNonZeroZCoords(long jarg1,
Conformer jarg1_) |
static boolean |
HeteroatomIterator_eq(long jarg1,
HeteroatomIterator jarg1_,
long jarg2,
HeteroatomIterator jarg2_) |
static long |
HeteroatomIterator_getAtom(long jarg1,
HeteroatomIterator jarg1_) |
static boolean |
HeteroatomIterator_ne(long jarg1,
HeteroatomIterator jarg1_,
long jarg2,
HeteroatomIterator jarg2_) |
static long |
HeteroatomIterator_next__SWIG_0(long jarg1,
HeteroatomIterator jarg1_) |
static long |
HeteroatomIterator_next__SWIG_1(long jarg1,
HeteroatomIterator jarg1_,
int jarg2) |
static long |
HeteroatomIterator_prev__SWIG_0(long jarg1,
HeteroatomIterator jarg1_) |
static long |
HeteroatomIterator_prev__SWIG_1(long jarg1,
HeteroatomIterator jarg1_,
int jarg2) |
static void |
hkDeltas(long jarg1,
ROMol jarg1_,
long jarg2,
Double_Vect jarg2_,
boolean jarg3) |
static void |
identifyQueryBonds(long jarg1,
ROMol jarg1_,
long jarg2,
long jarg3) |
static java.lang.String |
InchiToInchiKey(java.lang.String jarg1) |
static long |
InchiToMol__SWIG_0(java.lang.String jarg1,
long jarg2,
ExtraInchiReturnValues jarg2_,
boolean jarg3,
boolean jarg4) |
static long |
InchiToMol__SWIG_1(java.lang.String jarg1,
long jarg2,
ExtraInchiReturnValues jarg2_,
boolean jarg3) |
static long |
InchiToMol__SWIG_2(java.lang.String jarg1,
long jarg2,
ExtraInchiReturnValues jarg2_) |
static int |
IndexErrorException_index(long jarg1,
IndexErrorException jarg1_) |
static void |
initBoundsMat__SWIG_0(long jarg1,
BoundsMatrix jarg1_,
double jarg2,
double jarg3) |
static void |
initBoundsMat__SWIG_1(long jarg1,
BoundsMatrix jarg1_,
double jarg2) |
static void |
initBoundsMat__SWIG_2(long jarg1,
BoundsMatrix jarg1_) |
static int |
initCheckMol(java.lang.String jarg1) |
static boolean |
inOrganicSubset(int jarg1) |
static void |
Int_Double_Map_clear(long jarg1,
Int_Double_Map jarg1_) |
static void |
Int_Double_Map_del(long jarg1,
Int_Double_Map jarg1_,
int jarg2) |
static boolean |
Int_Double_Map_empty(long jarg1,
Int_Double_Map jarg1_) |
static double |
Int_Double_Map_get(long jarg1,
Int_Double_Map jarg1_,
int jarg2) |
static boolean |
Int_Double_Map_has_key(long jarg1,
Int_Double_Map jarg1_,
int jarg2) |
static void |
Int_Double_Map_set(long jarg1,
Int_Double_Map jarg1_,
int jarg2,
double jarg3) |
static long |
Int_Double_Map_size(long jarg1,
Int_Double_Map jarg1_) |
static void |
Int_Int_Map_clear(long jarg1,
Int_Int_Map jarg1_) |
static void |
Int_Int_Map_del(long jarg1,
Int_Int_Map jarg1_,
int jarg2) |
static boolean |
Int_Int_Map_empty(long jarg1,
Int_Int_Map jarg1_) |
static int |
Int_Int_Map_get(long jarg1,
Int_Int_Map jarg1_,
int jarg2) |
static boolean |
Int_Int_Map_has_key(long jarg1,
Int_Int_Map jarg1_,
int jarg2) |
static void |
Int_Int_Map_set(long jarg1,
Int_Int_Map jarg1_,
int jarg2,
int jarg3) |
static long |
Int_Int_Map_size(long jarg1,
Int_Int_Map jarg1_) |
static void |
Int_Int_Vect_List_Map_clear(long jarg1,
Int_Int_Vect_List_Map jarg1_) |
static void |
Int_Int_Vect_List_Map_del(long jarg1,
Int_Int_Vect_List_Map jarg1_,
int jarg2) |
static boolean |
Int_Int_Vect_List_Map_empty(long jarg1,
Int_Int_Vect_List_Map jarg1_) |
static long |
Int_Int_Vect_List_Map_get(long jarg1,
Int_Int_Vect_List_Map jarg1_,
int jarg2) |
static boolean |
Int_Int_Vect_List_Map_has_key(long jarg1,
Int_Int_Vect_List_Map jarg1_,
int jarg2) |
static void |
Int_Int_Vect_List_Map_set(long jarg1,
Int_Int_Vect_List_Map jarg1_,
int jarg2,
long jarg3,
Int_Vect_List jarg3_) |
static long |
Int_Int_Vect_List_Map_size(long jarg1,
Int_Int_Vect_List_Map jarg1_) |
static void |
Int_Int_Vect_Map_clear(long jarg1,
Int_Int_Vect_Map jarg1_) |
static void |
Int_Int_Vect_Map_del(long jarg1,
Int_Int_Vect_Map jarg1_,
int jarg2) |
static boolean |
Int_Int_Vect_Map_empty(long jarg1,
Int_Int_Vect_Map jarg1_) |
static long |
Int_Int_Vect_Map_get(long jarg1,
Int_Int_Vect_Map jarg1_,
int jarg2) |
static boolean |
Int_Int_Vect_Map_has_key(long jarg1,
Int_Int_Vect_Map jarg1_,
int jarg2) |
static void |
Int_Int_Vect_Map_set(long jarg1,
Int_Int_Vect_Map jarg1_,
int jarg2,
long jarg3,
Int_Vect jarg3_) |
static long |
Int_Int_Vect_Map_size(long jarg1,
Int_Int_Vect_Map jarg1_) |
static void |
Int_List_add(long jarg1,
Int_List jarg1_,
int jarg2) |
static void |
Int_List_clear(long jarg1,
Int_List jarg1_) |
static boolean |
Int_List_equals(long jarg1,
Int_List jarg1_,
long jarg2,
Int_List jarg2_) |
static int |
Int_List_get(long jarg1,
Int_List jarg1_,
int jarg2) |
static boolean |
Int_List_isEmpty(long jarg1,
Int_List jarg1_) |
static long |
Int_List_size(long jarg1,
Int_List jarg1_) |
static int |
Int_Pair_first_get(long jarg1,
Int_Pair jarg1_) |
static void |
Int_Pair_first_set(long jarg1,
Int_Pair jarg1_,
int jarg2) |
static int |
Int_Pair_second_get(long jarg1,
Int_Pair jarg1_) |
static void |
Int_Pair_second_set(long jarg1,
Int_Pair jarg1_,
int jarg2) |
static void |
Int_Point2D_Map_clear(long jarg1,
Int_Point2D_Map jarg1_) |
static void |
Int_Point2D_Map_del(long jarg1,
Int_Point2D_Map jarg1_,
int jarg2) |
static boolean |
Int_Point2D_Map_empty(long jarg1,
Int_Point2D_Map jarg1_) |
static long |
Int_Point2D_Map_get(long jarg1,
Int_Point2D_Map jarg1_,
int jarg2) |
static boolean |
Int_Point2D_Map_has_key(long jarg1,
Int_Point2D_Map jarg1_,
int jarg2) |
static void |
Int_Point2D_Map_set(long jarg1,
Int_Point2D_Map jarg1_,
int jarg2,
long jarg3,
Point2D jarg3_) |
static long |
Int_Point2D_Map_size(long jarg1,
Int_Point2D_Map jarg1_) |
static void |
Int_Point3D_Map_clear(long jarg1,
Int_Point3D_Map jarg1_) |
static void |
Int_Point3D_Map_del(long jarg1,
Int_Point3D_Map jarg1_,
int jarg2) |
static boolean |
Int_Point3D_Map_empty(long jarg1,
Int_Point3D_Map jarg1_) |
static long |
Int_Point3D_Map_get(long jarg1,
Int_Point3D_Map jarg1_,
int jarg2) |
static boolean |
Int_Point3D_Map_has_key(long jarg1,
Int_Point3D_Map jarg1_,
int jarg2) |
static void |
Int_Point3D_Map_set(long jarg1,
Int_Point3D_Map jarg1_,
int jarg2,
long jarg3,
Point3D jarg3_) |
static long |
Int_Point3D_Map_size(long jarg1,
Int_Point3D_Map jarg1_) |
static void |
Int_String_Map_clear(long jarg1,
Int_String_Map jarg1_) |
static void |
Int_String_Map_del(long jarg1,
Int_String_Map jarg1_,
int jarg2) |
static boolean |
Int_String_Map_empty(long jarg1,
Int_String_Map jarg1_) |
static java.lang.String |
Int_String_Map_get(long jarg1,
Int_String_Map jarg1_,
int jarg2) |
static boolean |
Int_String_Map_has_key(long jarg1,
Int_String_Map jarg1_,
int jarg2) |
static void |
Int_String_Map_set(long jarg1,
Int_String_Map jarg1_,
int jarg2,
java.lang.String jarg3) |
static long |
Int_String_Map_size(long jarg1,
Int_String_Map jarg1_) |
static void |
Int_Vect_add(long jarg1,
Int_Vect jarg1_,
int jarg2) |
static long |
Int_Vect_capacity(long jarg1,
Int_Vect jarg1_) |
static void |
Int_Vect_clear(long jarg1,
Int_Vect jarg1_) |
static boolean |
Int_Vect_equals(long jarg1,
Int_Vect jarg1_,
long jarg2,
Int_Vect jarg2_) |
static int |
Int_Vect_get(long jarg1,
Int_Vect jarg1_,
int jarg2) |
static boolean |
Int_Vect_isEmpty(long jarg1,
Int_Vect jarg1_) |
static void |
Int_Vect_List_add(long jarg1,
Int_Vect_List jarg1_,
long jarg2,
Int_Vect jarg2_) |
static void |
Int_Vect_List_clear(long jarg1,
Int_Vect_List jarg1_) |
static boolean |
Int_Vect_List_equals(long jarg1,
Int_Vect_List jarg1_,
long jarg2,
Int_Vect_List jarg2_) |
static long |
Int_Vect_List_get(long jarg1,
Int_Vect_List jarg1_,
int jarg2) |
static boolean |
Int_Vect_List_isEmpty(long jarg1,
Int_Vect_List jarg1_) |
static long |
Int_Vect_List_size(long jarg1,
Int_Vect_List jarg1_) |
static void |
Int_Vect_reserve(long jarg1,
Int_Vect jarg1_,
long jarg2) |
static void |
Int_Vect_set(long jarg1,
Int_Vect jarg1_,
int jarg2,
int jarg3) |
static long |
Int_Vect_size(long jarg1,
Int_Vect jarg1_) |
static void |
Int_Vect_Vect_add(long jarg1,
Int_Vect_Vect jarg1_,
long jarg2,
Int_Vect jarg2_) |
static long |
Int_Vect_Vect_capacity(long jarg1,
Int_Vect_Vect jarg1_) |
static void |
Int_Vect_Vect_clear(long jarg1,
Int_Vect_Vect jarg1_) |
static boolean |
Int_Vect_Vect_equals(long jarg1,
Int_Vect_Vect jarg1_,
long jarg2,
Int_Vect_Vect jarg2_) |
static long |
Int_Vect_Vect_get(long jarg1,
Int_Vect_Vect jarg1_,
int jarg2) |
static boolean |
Int_Vect_Vect_isEmpty(long jarg1,
Int_Vect_Vect jarg1_) |
static void |
Int_Vect_Vect_reserve(long jarg1,
Int_Vect_Vect jarg1_,
long jarg2) |
static void |
Int_Vect_Vect_set(long jarg1,
Int_Vect_Vect jarg1_,
int jarg2,
long jarg3,
Int_Vect jarg3_) |
static long |
Int_Vect_Vect_size(long jarg1,
Int_Vect_Vect jarg1_) |
static java.lang.String |
internalRgroupSmiles_get() |
static void |
Intersect(long jarg1,
Int_Vect jarg1_,
long jarg2,
Int_Vect jarg2_,
long jarg3,
Int_Vect jarg3_) |
static long |
IntMatrix_assign(long jarg1,
IntMatrix jarg1_,
long jarg2,
IntMatrix jarg2_) |
static void |
IntMatrix_getCol(long jarg1,
IntMatrix jarg1_,
long jarg2,
long jarg3) |
static long |
IntMatrix_getData__SWIG_0(long jarg1,
IntMatrix jarg1_) |
static long |
IntMatrix_getDataSize(long jarg1,
IntMatrix jarg1_) |
static void |
IntMatrix_getRow(long jarg1,
IntMatrix jarg1_,
long jarg2,
long jarg3) |
static int |
IntMatrix_getVal(long jarg1,
IntMatrix jarg1_,
long jarg2,
long jarg3) |
static long |
IntMatrix_numCols(long jarg1,
IntMatrix jarg1_) |
static long |
IntMatrix_numRows(long jarg1,
IntMatrix jarg1_) |
static void |
IntMatrix_setVal(long jarg1,
IntMatrix jarg1_,
long jarg2,
long jarg3,
int jarg4) |
static long |
IntMatrix_transpose(long jarg1,
IntMatrix jarg1_,
long jarg2,
IntMatrix jarg2_) |
static void |
IntSymmMatrix_getCol(long jarg1,
IntSymmMatrix jarg1_,
long jarg2,
long jarg3) |
static long |
IntSymmMatrix_getData__SWIG_0(long jarg1,
IntSymmMatrix jarg1_) |
static long |
IntSymmMatrix_getDataSize(long jarg1,
IntSymmMatrix jarg1_) |
static void |
IntSymmMatrix_getRow(long jarg1,
IntSymmMatrix jarg1_,
long jarg2,
long jarg3) |
static int |
IntSymmMatrix_getVal(long jarg1,
IntSymmMatrix jarg1_,
long jarg2,
long jarg3) |
static long |
IntSymmMatrix_numCols(long jarg1,
IntSymmMatrix jarg1_) |
static long |
IntSymmMatrix_numRows(long jarg1,
IntSymmMatrix jarg1_) |
static void |
IntSymmMatrix_setToIdentity(long jarg1,
IntSymmMatrix jarg1_) |
static void |
IntSymmMatrix_setVal(long jarg1,
IntSymmMatrix jarg1_,
long jarg2,
long jarg3,
int jarg4) |
static long |
IntSymmMatrix_transpose(long jarg1,
IntSymmMatrix jarg1_,
long jarg2,
IntSymmMatrix jarg2_) |
static long |
IntSymmMatrix_transposeInplace(long jarg1,
IntSymmMatrix jarg1_) |
static long |
InversionContrib_copy(long jarg1,
InversionContrib jarg1_) |
static double |
InversionContrib_getEnergy(long jarg1,
InversionContrib jarg1_,
long jarg2) |
static void |
InversionContrib_getGrad(long jarg1,
InversionContrib jarg1_,
long jarg2,
long jarg3) |
static long |
InversionContrib_SWIGSmartPtrUpcast(long jarg1) |
static boolean |
isAtomAromatic(long jarg1,
Atom jarg1_) |
static boolean |
isComplexQuery__SWIG_0(long jarg1,
Bond jarg1_) |
static boolean |
isComplexQuery__SWIG_1(long jarg1,
Atom jarg1_) |
static boolean |
isDoubleZero(double jarg1) |
static boolean |
isEarlyAtom(int jarg1) |
static java.lang.String |
isImplicit_get() |
static boolean |
isInGroup6(int jarg1) |
static boolean |
isMoleculeAgentOfReaction__SWIG_0(long jarg1,
ChemicalReaction jarg1_,
long jarg2,
ROMol jarg2_,
long jarg3) |
static boolean |
isMoleculeAgentOfReaction__SWIG_1(long jarg1,
ChemicalReaction jarg1_,
long jarg2,
ROMol jarg2_) |
static boolean |
isMoleculeProductOfReaction__SWIG_0(long jarg1,
ChemicalReaction jarg1_,
long jarg2,
ROMol jarg2_,
long jarg3) |
static boolean |
isMoleculeProductOfReaction__SWIG_1(long jarg1,
ChemicalReaction jarg1_,
long jarg2,
ROMol jarg2_) |
static boolean |
isMoleculeReactantOfReaction__SWIG_0(long jarg1,
ChemicalReaction jarg1_,
long jarg2,
ROMol jarg2_,
long jarg3) |
static boolean |
isMoleculeReactantOfReaction__SWIG_1(long jarg1,
ChemicalReaction jarg1_,
long jarg2,
ROMol jarg2_) |
static int |
Isotope_get() |
static int |
IsotopeLabels_get() |
static void |
isotopeParent__SWIG_0(long jarg1,
RWMol jarg1_,
long jarg2,
CleanupParameters jarg2_) |
static void |
isotopeParent__SWIG_1(long jarg1,
RWMol jarg1_) |
static long |
isotopesAtomData_get() |
static java.lang.String |
kappa1Version_get() |
static java.lang.String |
kappa2Version_get() |
static java.lang.String |
kappa3Version_get() |
static void |
Kekulize__SWIG_0(long jarg1,
RWMol jarg1_,
boolean jarg2,
long jarg3) |
static void |
Kekulize__SWIG_1(long jarg1,
RWMol jarg1_,
boolean jarg2) |
static void |
Kekulize__SWIG_2(long jarg1,
RWMol jarg1_) |
static long |
KekulizeException_copy(long jarg1,
KekulizeException jarg1_) |
static long |
KekulizeException_dynamic_cast(long jarg1,
MolSanitizeException jarg1_) |
static long |
KekulizeException_getAtomIndices(long jarg1,
KekulizeException jarg1_) |
static java.lang.String |
KekulizeException_getType(long jarg1,
KekulizeException jarg1_) |
static long |
KekulizeException_SWIGSmartPtrUpcast(long jarg1) |
static java.lang.String |
KeyErrorException_key(long jarg1,
KeyErrorException jarg1_) |
static java.lang.String |
KeyErrorException_message(long jarg1,
KeyErrorException jarg1_) |
static double |
KulczynskiSimilarity(long jarg1,
ExplicitBitVect jarg1_,
long jarg2,
ExplicitBitVect jarg2_) |
static java.lang.String |
labuteASAVersion_get() |
static double |
lambda_get() |
static long |
LayeredFingerprintMol__SWIG_0(long jarg1,
ROMol jarg1_,
long jarg2,
long jarg3,
long jarg4,
long jarg5,
long jarg6,
UInt_Vect jarg6_,
long jarg7,
ExplicitBitVect jarg7_,
boolean jarg8,
long jarg9,
UInt_Vect jarg9_) |
static long |
LayeredFingerprintMol__SWIG_1(long jarg1,
ROMol jarg1_,
long jarg2,
long jarg3,
long jarg4,
long jarg5,
long jarg6,
UInt_Vect jarg6_,
long jarg7,
ExplicitBitVect jarg7_,
boolean jarg8) |
static long |
LayeredFingerprintMol__SWIG_2(long jarg1,
ROMol jarg1_,
long jarg2,
long jarg3,
long jarg4,
long jarg5,
long jarg6,
UInt_Vect jarg6_,
long jarg7,
ExplicitBitVect jarg7_) |
static long |
LayeredFingerprintMol__SWIG_3(long jarg1,
ROMol jarg1_,
long jarg2,
long jarg3,
long jarg4,
long jarg5,
long jarg6,
UInt_Vect jarg6_) |
static long |
LayeredFingerprintMol__SWIG_4(long jarg1,
ROMol jarg1_,
long jarg2,
long jarg3,
long jarg4,
long jarg5) |
static long |
LayeredFingerprintMol__SWIG_5(long jarg1,
ROMol jarg1_,
long jarg2,
long jarg3,
long jarg4) |
static long |
LayeredFingerprintMol__SWIG_6(long jarg1,
ROMol jarg1_,
long jarg2,
long jarg3) |
static long |
LayeredFingerprintMol__SWIG_7(long jarg1,
ROMol jarg1_,
long jarg2) |
static long |
LayeredFingerprintMol__SWIG_8(long jarg1,
ROMol jarg1_) |
static java.lang.String |
LayeredFingerprintMolVersion_get() |
static java.lang.String |
lipinskiHBAVersion_get() |
static java.lang.String |
lipinskiHBDVersion_get() |
static long |
Long_Pair_first_get(long jarg1,
Long_Pair jarg1_) |
static void |
Long_Pair_first_set(long jarg1,
Long_Pair jarg1_,
long jarg2) |
static int |
Long_Pair_second_get(long jarg1,
Long_Pair jarg1_) |
static void |
Long_Pair_second_set(long jarg1,
Long_Pair jarg1_,
int jarg2) |
static void |
Long_Pair_Vect_add(long jarg1,
Long_Pair_Vect jarg1_,
long jarg2,
Long_Pair jarg2_) |
static long |
Long_Pair_Vect_capacity(long jarg1,
Long_Pair_Vect jarg1_) |
static void |
Long_Pair_Vect_clear(long jarg1,
Long_Pair_Vect jarg1_) |
static boolean |
Long_Pair_Vect_equals(long jarg1,
Long_Pair_Vect jarg1_,
long jarg2,
Long_Pair_Vect jarg2_) |
static long |
Long_Pair_Vect_get(long jarg1,
Long_Pair_Vect jarg1_,
int jarg2) |
static boolean |
Long_Pair_Vect_isEmpty(long jarg1,
Long_Pair_Vect jarg1_) |
static void |
Long_Pair_Vect_reserve(long jarg1,
Long_Pair_Vect jarg1_,
long jarg2) |
static void |
Long_Pair_Vect_set(long jarg1,
Long_Pair_Vect jarg1_,
int jarg2,
long jarg3,
Long_Pair jarg3_) |
static long |
Long_Pair_Vect_size(long jarg1,
Long_Pair_Vect jarg1_) |
static double |
M_PI_get() |
static long |
MACCSFingerprintMol(long jarg1,
ROMol jarg1_) |
static java.lang.String |
maccsFingerprintVersion_get() |
static long |
makeAAtomQuery() |
static long |
makeAHAtomQuery() |
static long |
makeAtomAliphaticQuery() |
static long |
makeAtomAromaticQuery() |
static long |
makeAtomExplicitDegreeQuery(int jarg1) |
static long |
makeAtomExplicitValenceQuery(int jarg1) |
static long |
makeAtomFormalChargeQuery(int jarg1) |
static long |
makeAtomHasAliphaticHeteroatomNbrsQuery() |
static long |
makeAtomHasChiralTagQuery() |
static long |
makeAtomHasHeteroatomNbrsQuery() |
static long |
makeAtomHasImplicitHQuery() |
static long |
makeAtomHasRingBondQuery() |
static long |
makeAtomHCountQuery(int jarg1) |
static long |
makeAtomHeavyAtomDegreeQuery(int jarg1) |
static long |
makeAtomHybridizationQuery(int jarg1) |
static long |
makeAtomImplicitHCountQuery(int jarg1) |
static long |
makeAtomImplicitValenceQuery(int jarg1) |
static long |
makeAtomInNRingsQuery(int jarg1) |
static long |
makeAtomInRingOfSizeQuery(int jarg1) |
static long |
makeAtomInRingQuery() |
static long |
makeAtomIsotopeQuery(int jarg1) |
static long |
makeAtomMassQuery(int jarg1) |
static long |
makeAtomMinRingSizeQuery(int jarg1) |
static long |
makeAtomMissingChiralTagQuery() |
static long |
makeAtomNegativeFormalChargeQuery(int jarg1) |
static long |
makeAtomNullQuery() |
static long |
makeAtomNumAliphaticHeteroatomNbrsQuery(int jarg1) |
static long |
makeAtomNumHeteroatomNbrsQuery(int jarg1) |
static long |
makeAtomNumQuery(int jarg1) |
static long |
makeAtomNumRadicalElectronsQuery(int jarg1) |
static long |
makeAtomRangeQuery__SWIG_0(int jarg1,
int jarg2,
boolean jarg3,
boolean jarg4,
long jarg5,
java.lang.String jarg6) |
static long |
makeAtomRangeQuery__SWIG_1(int jarg1,
int jarg2,
boolean jarg3,
boolean jarg4,
long jarg5) |
static long |
makeAtomRingBondCountQuery(int jarg1) |
static long |
makeAtomTotalDegreeQuery(int jarg1) |
static long |
makeAtomTotalValenceQuery(int jarg1) |
static int |
makeAtomType(int jarg1,
boolean jarg2) |
static long |
makeAtomTypeQuery(int jarg1,
int jarg2) |
static long |
makeAtomUnsaturatedQuery() |
static long |
makeBondDirEqualsQuery(int jarg1) |
static long |
makeBondHasStereoQuery() |
static long |
makeBondInNRingsQuery(int jarg1) |
static long |
makeBondInRingOfSizeQuery(int jarg1) |
static long |
makeBondIsInRingQuery() |
static long |
makeBondMinRingSizeQuery(int jarg1) |
static long |
makeBondNullQuery() |
static long |
makeBondOrderEqualsQuery(int jarg1) |
static long |
makeMAtomQuery() |
static long |
makeMHAtomQuery() |
static long |
makeQAtomQuery() |
static long |
makeQHAtomQuery() |
static void |
makeRingNeighborMap__SWIG_0(long jarg1,
Int_Vect_Vect jarg1_,
long jarg2,
Int_Int_Vect_Map jarg2_,
long jarg3,
long jarg4) |
static void |
makeRingNeighborMap__SWIG_1(long jarg1,
Int_Vect_Vect jarg1_,
long jarg2,
Int_Int_Vect_Map jarg2_,
long jarg3) |
static void |
makeRingNeighborMap__SWIG_2(long jarg1,
Int_Vect_Vect jarg1_,
long jarg2,
Int_Int_Vect_Map jarg2_) |
static long |
makeSingleOrAromaticBondQuery() |
static long |
makeXAtomQuery() |
static long |
makeXHAtomQuery() |
static int |
massIntegerConversionFactor_get() |
static void |
Match_Vect_add(long jarg1,
Match_Vect jarg1_,
long jarg2,
Int_Pair jarg2_) |
static long |
Match_Vect_capacity(long jarg1,
Match_Vect jarg1_) |
static void |
Match_Vect_clear(long jarg1,
Match_Vect jarg1_) |
static boolean |
Match_Vect_equals(long jarg1,
Match_Vect jarg1_,
long jarg2,
Match_Vect jarg2_) |
static long |
Match_Vect_get(long jarg1,
Match_Vect jarg1_,
int jarg2) |
static boolean |
Match_Vect_isEmpty(long jarg1,
Match_Vect jarg1_) |
static void |
Match_Vect_reserve(long jarg1,
Match_Vect jarg1_,
long jarg2) |
static void |
Match_Vect_set(long jarg1,
Match_Vect jarg1_,
int jarg2,
long jarg3,
Int_Pair jarg3_) |
static long |
Match_Vect_size(long jarg1,
Match_Vect jarg1_) |
static void |
Match_Vect_Vect_add(long jarg1,
Match_Vect_Vect jarg1_,
long jarg2,
Match_Vect jarg2_) |
static long |
Match_Vect_Vect_capacity(long jarg1,
Match_Vect_Vect jarg1_) |
static void |
Match_Vect_Vect_clear(long jarg1,
Match_Vect_Vect jarg1_) |
static boolean |
Match_Vect_Vect_equals(long jarg1,
Match_Vect_Vect jarg1_,
long jarg2,
Match_Vect_Vect jarg2_) |
static long |
Match_Vect_Vect_get(long jarg1,
Match_Vect_Vect jarg1_,
int jarg2) |
static boolean |
Match_Vect_Vect_isEmpty(long jarg1,
Match_Vect_Vect jarg1_) |
static void |
Match_Vect_Vect_reserve(long jarg1,
Match_Vect_Vect jarg1_,
long jarg2) |
static void |
Match_Vect_Vect_set(long jarg1,
Match_Vect_Vect jarg1_,
int jarg2,
long jarg3,
Match_Vect jarg3_) |
static long |
Match_Vect_Vect_size(long jarg1,
Match_Vect_Vect jarg1_) |
static int |
MAX_BONDTYPE_get() |
static int |
MAX_CYCLES_get() |
static double |
MAX_DOUBLE_get() |
static double |
MAX_INT_get() |
static double |
MAX_LONGINT_get() |
static int |
MAX_NATOMS_get() |
static java.lang.String |
maxAttachIdx_get() |
static long |
maxFingerprintLayers_get() |
static long |
maxNumBranches_get() |
static long |
maxNumPi_get() |
static long |
maxPathLen_get() |
static double |
McConnaugheySimilarity(long jarg1,
ExplicitBitVect jarg1_,
long jarg2,
ExplicitBitVect jarg2_) |
static int |
MCS_get() |
static boolean |
MCSAtomCompareAny(long jarg1,
MCSAtomCompareParameters jarg1_,
long jarg2,
ROMol jarg2_,
long jarg3,
long jarg4,
ROMol jarg4_,
long jarg5,
long jarg6) |
static boolean |
MCSAtomCompareAnyHeavyAtom(long jarg1,
MCSAtomCompareParameters jarg1_,
long jarg2,
ROMol jarg2_,
long jarg3,
long jarg4,
ROMol jarg4_,
long jarg5,
long jarg6) |
static boolean |
MCSAtomCompareElements(long jarg1,
MCSAtomCompareParameters jarg1_,
long jarg2,
ROMol jarg2_,
long jarg3,
long jarg4,
ROMol jarg4_,
long jarg5,
long jarg6) |
static boolean |
MCSAtomCompareIsotopes(long jarg1,
MCSAtomCompareParameters jarg1_,
long jarg2,
ROMol jarg2_,
long jarg3,
long jarg4,
ROMol jarg4_,
long jarg5,
long jarg6) |
static boolean |
MCSAtomCompareParameters_MatchChiralTag_get(long jarg1,
MCSAtomCompareParameters jarg1_) |
static void |
MCSAtomCompareParameters_MatchChiralTag_set(long jarg1,
MCSAtomCompareParameters jarg1_,
boolean jarg2) |
static boolean |
MCSAtomCompareParameters_MatchFormalCharge_get(long jarg1,
MCSAtomCompareParameters jarg1_) |
static void |
MCSAtomCompareParameters_MatchFormalCharge_set(long jarg1,
MCSAtomCompareParameters jarg1_,
boolean jarg2) |
static boolean |
MCSAtomCompareParameters_MatchValences_get(long jarg1,
MCSAtomCompareParameters jarg1_) |
static void |
MCSAtomCompareParameters_MatchValences_set(long jarg1,
MCSAtomCompareParameters jarg1_,
boolean jarg2) |
static boolean |
MCSAtomCompareParameters_RingMatchesRingOnly_get(long jarg1,
MCSAtomCompareParameters jarg1_) |
static void |
MCSAtomCompareParameters_RingMatchesRingOnly_set(long jarg1,
MCSAtomCompareParameters jarg1_,
boolean jarg2) |
static boolean |
MCSBondCompareAny(long jarg1,
MCSBondCompareParameters jarg1_,
long jarg2,
ROMol jarg2_,
long jarg3,
long jarg4,
ROMol jarg4_,
long jarg5,
long jarg6) |
static boolean |
MCSBondCompareOrder(long jarg1,
MCSBondCompareParameters jarg1_,
long jarg2,
ROMol jarg2_,
long jarg3,
long jarg4,
ROMol jarg4_,
long jarg5,
long jarg6) |
static boolean |
MCSBondCompareOrderExact(long jarg1,
MCSBondCompareParameters jarg1_,
long jarg2,
ROMol jarg2_,
long jarg3,
long jarg4,
ROMol jarg4_,
long jarg5,
long jarg6) |
static boolean |
MCSBondCompareParameters_CompleteRingsOnly_get(long jarg1,
MCSBondCompareParameters jarg1_) |
static void |
MCSBondCompareParameters_CompleteRingsOnly_set(long jarg1,
MCSBondCompareParameters jarg1_,
boolean jarg2) |
static boolean |
MCSBondCompareParameters_MatchFusedRings_get(long jarg1,
MCSBondCompareParameters jarg1_) |
static void |
MCSBondCompareParameters_MatchFusedRings_set(long jarg1,
MCSBondCompareParameters jarg1_,
boolean jarg2) |
static boolean |
MCSBondCompareParameters_MatchFusedRingsStrict_get(long jarg1,
MCSBondCompareParameters jarg1_) |
static void |
MCSBondCompareParameters_MatchFusedRingsStrict_set(long jarg1,
MCSBondCompareParameters jarg1_,
boolean jarg2) |
static boolean |
MCSBondCompareParameters_MatchStereo_get(long jarg1,
MCSBondCompareParameters jarg1_) |
static void |
MCSBondCompareParameters_MatchStereo_set(long jarg1,
MCSBondCompareParameters jarg1_,
boolean jarg2) |
static boolean |
MCSBondCompareParameters_RingMatchesRingOnly_get(long jarg1,
MCSBondCompareParameters jarg1_) |
static void |
MCSBondCompareParameters_RingMatchesRingOnly_set(long jarg1,
MCSBondCompareParameters jarg1_,
boolean jarg2) |
static boolean |
MCSProgressCallbackTimeout(long jarg1,
MCSProgressData jarg1_,
long jarg2,
long jarg3) |
static long |
MCSProgressData_NumAtoms_get(long jarg1,
MCSProgressData jarg1_) |
static void |
MCSProgressData_NumAtoms_set(long jarg1,
MCSProgressData jarg1_,
long jarg2) |
static long |
MCSProgressData_NumBonds_get(long jarg1,
MCSProgressData jarg1_) |
static void |
MCSProgressData_NumBonds_set(long jarg1,
MCSProgressData jarg1_,
long jarg2) |
static long |
MCSProgressData_SeedProcessed_get(long jarg1,
MCSProgressData jarg1_) |
static void |
MCSProgressData_SeedProcessed_set(long jarg1,
MCSProgressData jarg1_,
long jarg2) |
static boolean |
MCSResult_Canceled_get(long jarg1,
MCSResult jarg1_) |
static void |
MCSResult_Canceled_set(long jarg1,
MCSResult jarg1_,
boolean jarg2) |
static boolean |
MCSResult_isCompleted(long jarg1,
MCSResult jarg1_) |
static long |
MCSResult_NumAtoms_get(long jarg1,
MCSResult jarg1_) |
static void |
MCSResult_NumAtoms_set(long jarg1,
MCSResult jarg1_,
long jarg2) |
static long |
MCSResult_NumBonds_get(long jarg1,
MCSResult jarg1_) |
static void |
MCSResult_NumBonds_set(long jarg1,
MCSResult jarg1_,
long jarg2) |
static java.lang.String |
MCSResult_SmartsString_get(long jarg1,
MCSResult jarg1_) |
static void |
MCSResult_SmartsString_set(long jarg1,
MCSResult jarg1_,
java.lang.String jarg2) |
static int |
MDLRGroup_get() |
static int |
MDLRGroupLabels_get() |
static long |
mergeQueryHs__SWIG_0(long jarg1,
ROMol jarg1_,
boolean jarg2) |
static long |
mergeQueryHs__SWIG_1(long jarg1,
ROMol jarg1_) |
static void |
mergeQueryHs__SWIG_2(long jarg1,
RWMol jarg1_,
boolean jarg2) |
static void |
mergeQueryHs__SWIG_3(long jarg1,
RWMol jarg1_) |
static int |
MOL_STACK_ATOM_get() |
static long |
Mol2BlockToMol__SWIG_0(java.lang.String jarg1,
boolean jarg2,
boolean jarg3,
int jarg4,
boolean jarg5) |
static long |
Mol2BlockToMol__SWIG_1(java.lang.String jarg1,
boolean jarg2,
boolean jarg3,
int jarg4) |
static long |
Mol2BlockToMol__SWIG_2(java.lang.String jarg1,
boolean jarg2,
boolean jarg3) |
static long |
Mol2BlockToMol__SWIG_3(java.lang.String jarg1,
boolean jarg2) |
static long |
Mol2BlockToMol__SWIG_4(java.lang.String jarg1) |
static long |
Mol2DataStreamToMol__SWIG_0(long jarg1,
boolean jarg2,
boolean jarg3,
int jarg4,
boolean jarg5) |
static long |
Mol2DataStreamToMol__SWIG_1(long jarg1,
boolean jarg2,
boolean jarg3,
int jarg4) |
static long |
Mol2DataStreamToMol__SWIG_2(long jarg1,
boolean jarg2,
boolean jarg3) |
static long |
Mol2DataStreamToMol__SWIG_3(long jarg1,
boolean jarg2) |
static long |
Mol2DataStreamToMol__SWIG_4(long jarg1) |
static long |
Mol2FileToMol__SWIG_0(java.lang.String jarg1,
boolean jarg2,
boolean jarg3,
int jarg4,
boolean jarg5) |
static long |
Mol2FileToMol__SWIG_1(java.lang.String jarg1,
boolean jarg2,
boolean jarg3,
int jarg4) |
static long |
Mol2FileToMol__SWIG_2(java.lang.String jarg1,
boolean jarg2,
boolean jarg3) |
static long |
Mol2FileToMol__SWIG_3(java.lang.String jarg1,
boolean jarg2) |
static long |
Mol2FileToMol__SWIG_4(java.lang.String jarg1) |
static java.lang.String |
molAtomMapNumber_get() |
static java.lang.String |
MolBlockToInchi__SWIG_0(java.lang.String jarg1,
long jarg2,
ExtraInchiReturnValues jarg2_,
java.lang.String jarg3) |
static java.lang.String |
MolBlockToInchi__SWIG_1(java.lang.String jarg1,
long jarg2,
ExtraInchiReturnValues jarg2_) |
static long |
MolBlockToMol__SWIG_0(java.lang.String jarg1,
boolean jarg2,
boolean jarg3,
boolean jarg4) |
static long |
MolBlockToMol__SWIG_1(java.lang.String jarg1,
boolean jarg2,
boolean jarg3) |
static long |
MolBlockToMol__SWIG_2(java.lang.String jarg1,
boolean jarg2) |
static long |
MolBlockToMol__SWIG_3(java.lang.String jarg1) |
static long |
MolDataStreamToMol__SWIG_0(long jarg1,
long jarg2,
boolean jarg3,
boolean jarg4,
boolean jarg5) |
static long |
MolDataStreamToMol__SWIG_1(long jarg1,
long jarg2,
boolean jarg3,
boolean jarg4) |
static long |
MolDataStreamToMol__SWIG_2(long jarg1,
long jarg2,
boolean jarg3) |
static long |
MolDataStreamToMol__SWIG_3(long jarg1,
long jarg2) |
static long |
MolDraw2D_atomCoords(long jarg1,
MolDraw2D jarg1_) |
static long |
MolDraw2D_atomSyms(long jarg1,
MolDraw2D jarg1_) |
static int |
MolDraw2D_C_get() |
static void |
MolDraw2D_calculateScale__SWIG_0(long jarg1,
MolDraw2D jarg1_,
int jarg2,
int jarg3,
long jarg4,
Int_Vect jarg4_,
long jarg5,
Int_Double_Map jarg5_) |
static void |
MolDraw2D_calculateScale__SWIG_1(long jarg1,
MolDraw2D jarg1_,
int jarg2,
int jarg3,
long jarg4,
Int_Vect jarg4_) |
static void |
MolDraw2D_calculateScale__SWIG_2(long jarg1,
MolDraw2D jarg1_,
int jarg2,
int jarg3) |
static void |
MolDraw2D_calculateScale__SWIG_3(long jarg1,
MolDraw2D jarg1_) |
static void |
MolDraw2D_clearDrawing(long jarg1,
MolDraw2D jarg1_) |
static long |
MolDraw2D_colour(long jarg1,
MolDraw2D jarg1_) |
static long |
MolDraw2D_dash(long jarg1,
MolDraw2D jarg1_) |
static void |
MolDraw2D_drawArrow__SWIG_0(long jarg1,
MolDraw2D jarg1_,
long jarg2,
Point2D jarg2_,
long jarg3,
Point2D jarg3_,
boolean jarg4,
double jarg5,
double jarg6) |
static void |
MolDraw2D_drawArrow__SWIG_1(long jarg1,
MolDraw2D jarg1_,
long jarg2,
Point2D jarg2_,
long jarg3,
Point2D jarg3_,
boolean jarg4,
double jarg5) |
static void |
MolDraw2D_drawArrow__SWIG_2(long jarg1,
MolDraw2D jarg1_,
long jarg2,
Point2D jarg2_,
long jarg3,
Point2D jarg3_,
boolean jarg4) |
static void |
MolDraw2D_drawArrow__SWIG_3(long jarg1,
MolDraw2D jarg1_,
long jarg2,
Point2D jarg2_,
long jarg3,
Point2D jarg3_) |
static void |
MolDraw2D_drawAttachmentLine__SWIG_0(long jarg1,
MolDraw2D jarg1_,
long jarg2,
Point2D jarg2_,
long jarg3,
Point2D jarg3_,
long jarg4,
DrawColour jarg4_,
double jarg5,
long jarg6) |
static void |
MolDraw2D_drawAttachmentLine__SWIG_1(long jarg1,
MolDraw2D jarg1_,
long jarg2,
Point2D jarg2_,
long jarg3,
Point2D jarg3_,
long jarg4,
DrawColour jarg4_,
double jarg5) |
static void |
MolDraw2D_drawAttachmentLine__SWIG_2(long jarg1,
MolDraw2D jarg1_,
long jarg2,
Point2D jarg2_,
long jarg3,
Point2D jarg3_,
long jarg4,
DrawColour jarg4_) |
static void |
MolDraw2D_drawEllipse(long jarg1,
MolDraw2D jarg1_,
long jarg2,
Point2D jarg2_,
long jarg3,
Point2D jarg3_) |
static void |
MolDraw2D_drawLine(long jarg1,
MolDraw2D jarg1_,
long jarg2,
Point2D jarg2_,
long jarg3,
Point2D jarg3_) |
static void |
MolDraw2D_drawMolecule__SWIG_0(long jarg1,
MolDraw2D jarg1_,
long jarg2,
ROMol jarg2_,
java.lang.String jarg3,
long jarg4,
Int_Vect jarg4_,
long jarg5,
Int_Vect jarg5_,
long jarg6,
ColourPalette jarg6_,
long jarg7,
ColourPalette jarg7_,
long jarg8,
Int_Double_Map jarg8_,
int jarg9) |
static void |
MolDraw2D_drawMolecule__SWIG_1(long jarg1,
MolDraw2D jarg1_,
long jarg2,
ROMol jarg2_,
java.lang.String jarg3,
long jarg4,
Int_Vect jarg4_,
long jarg5,
Int_Vect jarg5_,
long jarg6,
ColourPalette jarg6_,
long jarg7,
ColourPalette jarg7_,
long jarg8,
Int_Double_Map jarg8_) |
static void |
MolDraw2D_drawMolecule__SWIG_10(long jarg1,
MolDraw2D jarg1_,
long jarg2,
ROMol jarg2_,
java.lang.String jarg3,
long jarg4,
Int_Vect jarg4_,
long jarg5,
ColourPalette jarg5_,
long jarg6,
Int_Double_Map jarg6_,
int jarg7) |
static void |
MolDraw2D_drawMolecule__SWIG_11(long jarg1,
MolDraw2D jarg1_,
long jarg2,
ROMol jarg2_,
java.lang.String jarg3,
long jarg4,
Int_Vect jarg4_,
long jarg5,
ColourPalette jarg5_,
long jarg6,
Int_Double_Map jarg6_) |
static void |
MolDraw2D_drawMolecule__SWIG_12(long jarg1,
MolDraw2D jarg1_,
long jarg2,
ROMol jarg2_,
java.lang.String jarg3,
long jarg4,
Int_Vect jarg4_,
long jarg5,
ColourPalette jarg5_) |
static void |
MolDraw2D_drawMolecule__SWIG_13(long jarg1,
MolDraw2D jarg1_,
long jarg2,
ROMol jarg2_,
java.lang.String jarg3,
long jarg4,
Int_Vect jarg4_) |
static void |
MolDraw2D_drawMolecule__SWIG_14(long jarg1,
MolDraw2D jarg1_,
long jarg2,
ROMol jarg2_,
java.lang.String jarg3) |
static void |
MolDraw2D_drawMolecule__SWIG_15(long jarg1,
MolDraw2D jarg1_,
long jarg2,
ROMol jarg2_,
long jarg3,
Int_Vect jarg3_,
long jarg4,
Int_Vect jarg4_,
long jarg5,
ColourPalette jarg5_,
long jarg6,
ColourPalette jarg6_,
long jarg7,
Int_Double_Map jarg7_,
int jarg8) |
static void |
MolDraw2D_drawMolecule__SWIG_16(long jarg1,
MolDraw2D jarg1_,
long jarg2,
ROMol jarg2_,
long jarg3,
Int_Vect jarg3_,
long jarg4,
Int_Vect jarg4_,
long jarg5,
ColourPalette jarg5_,
long jarg6,
ColourPalette jarg6_,
long jarg7,
Int_Double_Map jarg7_) |
static void |
MolDraw2D_drawMolecule__SWIG_17(long jarg1,
MolDraw2D jarg1_,
long jarg2,
ROMol jarg2_,
long jarg3,
Int_Vect jarg3_,
long jarg4,
Int_Vect jarg4_,
long jarg5,
ColourPalette jarg5_,
long jarg6,
ColourPalette jarg6_) |
static void |
MolDraw2D_drawMolecule__SWIG_18(long jarg1,
MolDraw2D jarg1_,
long jarg2,
ROMol jarg2_,
long jarg3,
Int_Vect jarg3_,
long jarg4,
Int_Vect jarg4_,
long jarg5,
ColourPalette jarg5_) |
static void |
MolDraw2D_drawMolecule__SWIG_19(long jarg1,
MolDraw2D jarg1_,
long jarg2,
ROMol jarg2_,
long jarg3,
Int_Vect jarg3_,
long jarg4,
Int_Vect jarg4_) |
static void |
MolDraw2D_drawMolecule__SWIG_2(long jarg1,
MolDraw2D jarg1_,
long jarg2,
ROMol jarg2_,
java.lang.String jarg3,
long jarg4,
Int_Vect jarg4_,
long jarg5,
Int_Vect jarg5_,
long jarg6,
ColourPalette jarg6_,
long jarg7,
ColourPalette jarg7_) |
static void |
MolDraw2D_drawMolecule__SWIG_3(long jarg1,
MolDraw2D jarg1_,
long jarg2,
ROMol jarg2_,
java.lang.String jarg3,
long jarg4,
Int_Vect jarg4_,
long jarg5,
Int_Vect jarg5_,
long jarg6,
ColourPalette jarg6_) |
static void |
MolDraw2D_drawMolecule__SWIG_4(long jarg1,
MolDraw2D jarg1_,
long jarg2,
ROMol jarg2_,
java.lang.String jarg3,
long jarg4,
Int_Vect jarg4_,
long jarg5,
Int_Vect jarg5_) |
static void |
MolDraw2D_drawMolecule__SWIG_5(long jarg1,
MolDraw2D jarg1_,
long jarg2,
ROMol jarg2_,
long jarg3,
Int_Vect jarg3_,
long jarg4,
ColourPalette jarg4_,
long jarg5,
Int_Double_Map jarg5_,
int jarg6) |
static void |
MolDraw2D_drawMolecule__SWIG_6(long jarg1,
MolDraw2D jarg1_,
long jarg2,
ROMol jarg2_,
long jarg3,
Int_Vect jarg3_,
long jarg4,
ColourPalette jarg4_,
long jarg5,
Int_Double_Map jarg5_) |
static void |
MolDraw2D_drawMolecule__SWIG_7(long jarg1,
MolDraw2D jarg1_,
long jarg2,
ROMol jarg2_,
long jarg3,
Int_Vect jarg3_,
long jarg4,
ColourPalette jarg4_) |
static void |
MolDraw2D_drawMolecule__SWIG_8(long jarg1,
MolDraw2D jarg1_,
long jarg2,
ROMol jarg2_,
long jarg3,
Int_Vect jarg3_) |
static void |
MolDraw2D_drawMolecule__SWIG_9(long jarg1,
MolDraw2D jarg1_,
long jarg2,
ROMol jarg2_) |
static void |
MolDraw2D_drawMolecules__SWIG_0(long jarg1,
MolDraw2D jarg1_,
long jarg2,
long jarg3,
Str_Vect jarg3_,
long jarg4,
Int_Vect_Vect jarg4_,
long jarg5,
Int_Vect_Vect jarg5_,
long jarg6,
long jarg7,
long jarg8,
long jarg9,
Int_Vect jarg9_) |
static void |
MolDraw2D_drawMolecules__SWIG_1(long jarg1,
MolDraw2D jarg1_,
long jarg2,
long jarg3,
Str_Vect jarg3_,
long jarg4,
Int_Vect_Vect jarg4_,
long jarg5,
Int_Vect_Vect jarg5_,
long jarg6,
long jarg7,
long jarg8) |
static void |
MolDraw2D_drawMolecules__SWIG_2(long jarg1,
MolDraw2D jarg1_,
long jarg2,
long jarg3,
Str_Vect jarg3_,
long jarg4,
Int_Vect_Vect jarg4_,
long jarg5,
Int_Vect_Vect jarg5_,
long jarg6,
long jarg7) |
static void |
MolDraw2D_drawMolecules__SWIG_3(long jarg1,
MolDraw2D jarg1_,
long jarg2,
long jarg3,
Str_Vect jarg3_,
long jarg4,
Int_Vect_Vect jarg4_,
long jarg5,
Int_Vect_Vect jarg5_,
long jarg6) |
static void |
MolDraw2D_drawMolecules__SWIG_4(long jarg1,
MolDraw2D jarg1_,
long jarg2,
long jarg3,
Str_Vect jarg3_,
long jarg4,
Int_Vect_Vect jarg4_,
long jarg5,
Int_Vect_Vect jarg5_) |
static void |
MolDraw2D_drawMolecules__SWIG_5(long jarg1,
MolDraw2D jarg1_,
long jarg2,
long jarg3,
Str_Vect jarg3_,
long jarg4,
Int_Vect_Vect jarg4_) |
static void |
MolDraw2D_drawMolecules__SWIG_6(long jarg1,
MolDraw2D jarg1_,
long jarg2,
long jarg3,
Str_Vect jarg3_) |
static void |
MolDraw2D_drawMolecules__SWIG_7(long jarg1,
MolDraw2D jarg1_,
long jarg2) |
static long |
MolDraw2D_drawOptions__SWIG_0(long jarg1,
MolDraw2D jarg1_) |
static void |
MolDraw2D_drawPolygon(long jarg1,
MolDraw2D jarg1_,
long jarg2) |
static void |
MolDraw2D_drawReaction__SWIG_0(long jarg1,
MolDraw2D jarg1_,
long jarg2,
ChemicalReaction jarg2_,
boolean jarg3,
long jarg4,
long jarg5,
Int_Vect jarg5_) |
static void |
MolDraw2D_drawReaction__SWIG_1(long jarg1,
MolDraw2D jarg1_,
long jarg2,
ChemicalReaction jarg2_,
boolean jarg3,
long jarg4) |
static void |
MolDraw2D_drawReaction__SWIG_2(long jarg1,
MolDraw2D jarg1_,
long jarg2,
ChemicalReaction jarg2_,
boolean jarg3) |
static void |
MolDraw2D_drawReaction__SWIG_3(long jarg1,
MolDraw2D jarg1_,
long jarg2,
ChemicalReaction jarg2_) |
static void |
MolDraw2D_drawRect(long jarg1,
MolDraw2D jarg1_,
long jarg2,
Point2D jarg2_,
long jarg3,
Point2D jarg3_) |
static void |
MolDraw2D_drawString(long jarg1,
MolDraw2D jarg1_,
java.lang.String jarg2,
long jarg3,
Point2D jarg3_) |
static void |
MolDraw2D_drawTriangle(long jarg1,
MolDraw2D jarg1_,
long jarg2,
Point2D jarg2_,
long jarg3,
Point2D jarg3_,
long jarg4,
Point2D jarg4_) |
static void |
MolDraw2D_drawWavyLine__SWIG_0(long jarg1,
MolDraw2D jarg1_,
long jarg2,
Point2D jarg2_,
long jarg3,
Point2D jarg3_,
long jarg4,
DrawColour jarg4_,
long jarg5,
DrawColour jarg5_,
long jarg6,
double jarg7) |
static void |
MolDraw2D_drawWavyLine__SWIG_1(long jarg1,
MolDraw2D jarg1_,
long jarg2,
Point2D jarg2_,
long jarg3,
Point2D jarg3_,
long jarg4,
DrawColour jarg4_,
long jarg5,
DrawColour jarg5_,
long jarg6) |
static void |
MolDraw2D_drawWavyLine__SWIG_2(long jarg1,
MolDraw2D jarg1_,
long jarg2,
Point2D jarg2_,
long jarg3,
Point2D jarg3_,
long jarg4,
DrawColour jarg4_,
long jarg5,
DrawColour jarg5_) |
static boolean |
MolDraw2D_fillPolys(long jarg1,
MolDraw2D jarg1_) |
static double |
MolDraw2D_fontSize(long jarg1,
MolDraw2D jarg1_) |
static long |
MolDraw2D_getAtomCoords__SWIG_0(long jarg1,
MolDraw2D jarg1_,
long jarg2,
Int_Pair jarg2_) |
static long |
MolDraw2D_getAtomCoords__SWIG_1(long jarg1,
MolDraw2D jarg1_,
long jarg2,
Double_Pair jarg2_) |
static long |
MolDraw2D_getAtomCoords__SWIG_2(long jarg1,
MolDraw2D jarg1_,
int jarg2) |
static long |
MolDraw2D_getDrawCoords__SWIG_0(long jarg1,
MolDraw2D jarg1_,
long jarg2,
Point2D jarg2_) |
static long |
MolDraw2D_getDrawCoords__SWIG_1(long jarg1,
MolDraw2D jarg1_,
int jarg2) |
static void |
MolDraw2D_getStringSize(long jarg1,
MolDraw2D jarg1_,
java.lang.String jarg2,
long jarg3,
long jarg4) |
static int |
MolDraw2D_height(long jarg1,
MolDraw2D jarg1_) |
static int |
MolDraw2D_lineWidth(long jarg1,
MolDraw2D jarg1_) |
static long |
MolDraw2D_minPt(long jarg1,
MolDraw2D jarg1_) |
static long |
MolDraw2D_offset(long jarg1,
MolDraw2D jarg1_) |
static int |
MolDraw2D_panelHeight(long jarg1,
MolDraw2D jarg1_) |
static int |
MolDraw2D_panelWidth(long jarg1,
MolDraw2D jarg1_) |
static long |
MolDraw2D_range(long jarg1,
MolDraw2D jarg1_) |
static double |
MolDraw2D_scale(long jarg1,
MolDraw2D jarg1_) |
static void |
MolDraw2D_setColour(long jarg1,
MolDraw2D jarg1_,
long jarg2,
DrawColour jarg2_) |
static void |
MolDraw2D_setDash(long jarg1,
MolDraw2D jarg1_,
long jarg2,
UInt_Vect jarg2_) |
static void |
MolDraw2D_setFillPolys(long jarg1,
MolDraw2D jarg1_,
boolean jarg2) |
static void |
MolDraw2D_setFontSize(long jarg1,
MolDraw2D jarg1_,
double jarg2) |
static void |
MolDraw2D_setLineWidth(long jarg1,
MolDraw2D jarg1_,
int jarg2) |
static void |
MolDraw2D_setOffset(long jarg1,
MolDraw2D jarg1_,
int jarg2,
int jarg3) |
static void |
MolDraw2D_setScale(long jarg1,
MolDraw2D jarg1_,
int jarg2,
int jarg3,
long jarg4,
Point2D jarg4_,
long jarg5,
Point2D jarg5_) |
static boolean |
MolDraw2D_setStringDrawMode(long jarg1,
MolDraw2D jarg1_,
java.lang.String jarg2,
long jarg3,
long jarg4) |
static void |
MolDraw2D_tagAtoms(long jarg1,
MolDraw2D jarg1_,
long jarg2,
ROMol jarg2_) |
static int |
MolDraw2D_TextDrawNormal_get() |
static int |
MolDraw2D_width(long jarg1,
MolDraw2D jarg1_) |
static void |
MolDraw2DSVG_addMoleculeMetadata__SWIG_0(long jarg1,
MolDraw2DSVG jarg1_,
long jarg2,
ROMol jarg2_,
int jarg3) |
static void |
MolDraw2DSVG_addMoleculeMetadata__SWIG_1(long jarg1,
MolDraw2DSVG jarg1_,
long jarg2,
ROMol jarg2_) |
static void |
MolDraw2DSVG_addMoleculeMetadata__SWIG_2(long jarg1,
MolDraw2DSVG jarg1_,
long jarg2,
long jarg3,
Int_Vect jarg3_) |
static void |
MolDraw2DSVG_addMoleculeMetadata__SWIG_3(long jarg1,
MolDraw2DSVG jarg1_,
long jarg2) |
static void |
MolDraw2DSVG_clearDrawing(long jarg1,
MolDraw2DSVG jarg1_) |
static void |
MolDraw2DSVG_drawEllipse(long jarg1,
MolDraw2DSVG jarg1_,
long jarg2,
Point2D jarg2_,
long jarg3,
Point2D jarg3_) |
static void |
MolDraw2DSVG_drawLine(long jarg1,
MolDraw2DSVG jarg1_,
long jarg2,
Point2D jarg2_,
long jarg3,
Point2D jarg3_) |
static void |
MolDraw2DSVG_drawPolygon(long jarg1,
MolDraw2DSVG jarg1_,
long jarg2) |
static void |
MolDraw2DSVG_drawString(long jarg1,
MolDraw2DSVG jarg1_,
java.lang.String jarg2,
long jarg3,
Point2D jarg3_) |
static void |
MolDraw2DSVG_drawWavyLine__SWIG_0(long jarg1,
MolDraw2DSVG jarg1_,
long jarg2,
Point2D jarg2_,
long jarg3,
Point2D jarg3_,
long jarg4,
DrawColour jarg4_,
long jarg5,
DrawColour jarg5_,
long jarg6,
double jarg7) |
static void |
MolDraw2DSVG_drawWavyLine__SWIG_1(long jarg1,
MolDraw2DSVG jarg1_,
long jarg2,
Point2D jarg2_,
long jarg3,
Point2D jarg3_,
long jarg4,
DrawColour jarg4_,
long jarg5,
DrawColour jarg5_,
long jarg6) |
static void |
MolDraw2DSVG_drawWavyLine__SWIG_2(long jarg1,
MolDraw2DSVG jarg1_,
long jarg2,
Point2D jarg2_,
long jarg3,
Point2D jarg3_,
long jarg4,
DrawColour jarg4_,
long jarg5,
DrawColour jarg5_) |
static void |
MolDraw2DSVG_finishDrawing(long jarg1,
MolDraw2DSVG jarg1_) |
static java.lang.String |
MolDraw2DSVG_getDrawingText(long jarg1,
MolDraw2DSVG jarg1_) |
static void |
MolDraw2DSVG_getStringSize(long jarg1,
MolDraw2DSVG jarg1_,
java.lang.String jarg2,
long jarg3,
long jarg4) |
static void |
MolDraw2DSVG_setColour(long jarg1,
MolDraw2DSVG jarg1_,
long jarg2,
DrawColour jarg2_) |
static void |
MolDraw2DSVG_setFontSize(long jarg1,
MolDraw2DSVG jarg1_,
double jarg2) |
static long |
MolDraw2DSVG_SWIGUpcast(long jarg1) |
static void |
MolDraw2DSVG_tagAtoms__SWIG_0_0(long jarg1,
MolDraw2DSVG jarg1_,
long jarg2,
ROMol jarg2_) |
static void |
MolDraw2DSVG_tagAtoms__SWIG_2(long jarg1,
MolDraw2DSVG jarg1_,
long jarg2,
ROMol jarg2_,
double jarg3,
long jarg4,
String_String_Map jarg4_) |
static void |
MolDraw2DSVG_tagAtoms__SWIG_3(long jarg1,
MolDraw2DSVG jarg1_,
long jarg2,
ROMol jarg2_,
double jarg3) |
static double |
MolDrawOptions_additionalAtomLabelPadding_get(long jarg1,
MolDrawOptions jarg1_) |
static void |
MolDrawOptions_additionalAtomLabelPadding_set(long jarg1,
MolDrawOptions jarg1_,
double jarg2) |
static long |
MolDrawOptions_atomColourPalette_get(long jarg1,
MolDrawOptions jarg1_) |
static void |
MolDrawOptions_atomColourPalette_set(long jarg1,
MolDrawOptions jarg1_,
long jarg2,
ColourPalette jarg2_) |
static boolean |
MolDrawOptions_atomLabelDeuteriumTritium_get(long jarg1,
MolDrawOptions jarg1_) |
static void |
MolDrawOptions_atomLabelDeuteriumTritium_set(long jarg1,
MolDrawOptions jarg1_,
boolean jarg2) |
static long |
MolDrawOptions_atomLabels_get(long jarg1,
MolDrawOptions jarg1_) |
static void |
MolDrawOptions_atomLabels_set(long jarg1,
MolDrawOptions jarg1_,
long jarg2,
Int_String_Map jarg2_) |
static long |
MolDrawOptions_atomRegions_get(long jarg1,
MolDrawOptions jarg1_) |
static void |
MolDrawOptions_atomRegions_set(long jarg1,
MolDrawOptions jarg1_,
long jarg2,
Int_Vect_Vect jarg2_) |
static long |
MolDrawOptions_backgroundColour_get(long jarg1,
MolDrawOptions jarg1_) |
static void |
MolDrawOptions_backgroundColour_set(long jarg1,
MolDrawOptions jarg1_,
long jarg2,
DrawColour jarg2_) |
static int |
MolDrawOptions_bondLineWidth_get(long jarg1,
MolDrawOptions jarg1_) |
static void |
MolDrawOptions_bondLineWidth_set(long jarg1,
MolDrawOptions jarg1_,
int jarg2) |
static boolean |
MolDrawOptions_circleAtoms_get(long jarg1,
MolDrawOptions jarg1_) |
static void |
MolDrawOptions_circleAtoms_set(long jarg1,
MolDrawOptions jarg1_,
boolean jarg2) |
static boolean |
MolDrawOptions_clearBackground_get(long jarg1,
MolDrawOptions jarg1_) |
static void |
MolDrawOptions_clearBackground_set(long jarg1,
MolDrawOptions jarg1_,
boolean jarg2) |
static boolean |
MolDrawOptions_continuousHighlight_get(long jarg1,
MolDrawOptions jarg1_) |
static void |
MolDrawOptions_continuousHighlight_set(long jarg1,
MolDrawOptions jarg1_,
boolean jarg2) |
static boolean |
MolDrawOptions_dummiesAreAttachments_get(long jarg1,
MolDrawOptions jarg1_) |
static void |
MolDrawOptions_dummiesAreAttachments_set(long jarg1,
MolDrawOptions jarg1_,
boolean jarg2) |
static boolean |
MolDrawOptions_fillHighlights_get(long jarg1,
MolDrawOptions jarg1_) |
static void |
MolDrawOptions_fillHighlights_set(long jarg1,
MolDrawOptions jarg1_,
boolean jarg2) |
static int |
MolDrawOptions_flagCloseContactsDist_get(long jarg1,
MolDrawOptions jarg1_) |
static void |
MolDrawOptions_flagCloseContactsDist_set(long jarg1,
MolDrawOptions jarg1_,
int jarg2) |
static long |
MolDrawOptions_highlightColour_get(long jarg1,
MolDrawOptions jarg1_) |
static void |
MolDrawOptions_highlightColour_set(long jarg1,
MolDrawOptions jarg1_,
long jarg2,
DrawColour jarg2_) |
static long |
MolDrawOptions_highlightColourPalette_get(long jarg1,
MolDrawOptions jarg1_) |
static void |
MolDrawOptions_highlightColourPalette_set(long jarg1,
MolDrawOptions jarg1_,
long jarg2) |
static boolean |
MolDrawOptions_includeAtomTags_get(long jarg1,
MolDrawOptions jarg1_) |
static void |
MolDrawOptions_includeAtomTags_set(long jarg1,
MolDrawOptions jarg1_,
boolean jarg2) |
static long |
MolDrawOptions_legendColour_get(long jarg1,
MolDrawOptions jarg1_) |
static void |
MolDrawOptions_legendColour_set(long jarg1,
MolDrawOptions jarg1_,
long jarg2,
DrawColour jarg2_) |
static int |
MolDrawOptions_legendFontSize_get(long jarg1,
MolDrawOptions jarg1_) |
static void |
MolDrawOptions_legendFontSize_set(long jarg1,
MolDrawOptions jarg1_,
int jarg2) |
static double |
MolDrawOptions_multipleBondOffset_get(long jarg1,
MolDrawOptions jarg1_) |
static void |
MolDrawOptions_multipleBondOffset_set(long jarg1,
MolDrawOptions jarg1_,
double jarg2) |
static double |
MolDrawOptions_padding_get(long jarg1,
MolDrawOptions jarg1_) |
static void |
MolDrawOptions_padding_set(long jarg1,
MolDrawOptions jarg1_,
double jarg2) |
static boolean |
MolDrawOptions_prepareMolsBeforeDrawing_get(long jarg1,
MolDrawOptions jarg1_) |
static void |
MolDrawOptions_prepareMolsBeforeDrawing_set(long jarg1,
MolDrawOptions jarg1_,
boolean jarg2) |
static long |
MolDrawOptions_symbolColour_get(long jarg1,
MolDrawOptions jarg1_) |
static void |
MolDrawOptions_symbolColour_set(long jarg1,
MolDrawOptions jarg1_,
long jarg2,
DrawColour jarg2_) |
static int |
MOLFILE_MAXLINE_get() |
static java.lang.String |
molFileAlias_get() |
static java.lang.String |
MolFileComments_get() |
static java.lang.String |
MolFileInfo_get() |
static long |
MolFileToMol__SWIG_0(java.lang.String jarg1,
boolean jarg2,
boolean jarg3,
boolean jarg4) |
static long |
MolFileToMol__SWIG_1(java.lang.String jarg1,
boolean jarg2,
boolean jarg3) |
static long |
MolFileToMol__SWIG_2(java.lang.String jarg1,
boolean jarg2) |
static long |
MolFileToMol__SWIG_3(java.lang.String jarg1) |
static java.lang.String |
MolFileUnhandledFeatureException_message(long jarg1,
MolFileUnhandledFeatureException jarg1_) |
static java.lang.String |
molFileValue_get() |
static java.lang.String |
MolFragmentToCXSmiles__SWIG_0(long jarg1,
ROMol jarg1_,
long jarg2,
Int_Vect jarg2_,
long jarg3,
Int_Vect jarg3_,
long jarg4,
Str_Vect jarg4_,
long jarg5,
Str_Vect jarg5_,
boolean jarg6,
boolean jarg7,
int jarg8,
boolean jarg9,
boolean jarg10,
boolean jarg11) |
static java.lang.String |
MolFragmentToCXSmiles__SWIG_1(long jarg1,
ROMol jarg1_,
long jarg2,
Int_Vect jarg2_,
long jarg3,
Int_Vect jarg3_,
long jarg4,
Str_Vect jarg4_,
long jarg5,
Str_Vect jarg5_,
boolean jarg6,
boolean jarg7,
int jarg8,
boolean jarg9,
boolean jarg10) |
static java.lang.String |
MolFragmentToCXSmiles__SWIG_2(long jarg1,
ROMol jarg1_,
long jarg2,
Int_Vect jarg2_,
long jarg3,
Int_Vect jarg3_,
long jarg4,
Str_Vect jarg4_,
long jarg5,
Str_Vect jarg5_,
boolean jarg6,
boolean jarg7,
int jarg8,
boolean jarg9) |
static java.lang.String |
MolFragmentToCXSmiles__SWIG_3(long jarg1,
ROMol jarg1_,
long jarg2,
Int_Vect jarg2_,
long jarg3,
Int_Vect jarg3_,
long jarg4,
Str_Vect jarg4_,
long jarg5,
Str_Vect jarg5_,
boolean jarg6,
boolean jarg7,
int jarg8) |
static java.lang.String |
MolFragmentToCXSmiles__SWIG_4(long jarg1,
ROMol jarg1_,
long jarg2,
Int_Vect jarg2_,
long jarg3,
Int_Vect jarg3_,
long jarg4,
Str_Vect jarg4_,
long jarg5,
Str_Vect jarg5_,
boolean jarg6,
boolean jarg7) |
static java.lang.String |
MolFragmentToCXSmiles__SWIG_5(long jarg1,
ROMol jarg1_,
long jarg2,
Int_Vect jarg2_,
long jarg3,
Int_Vect jarg3_,
long jarg4,
Str_Vect jarg4_,
long jarg5,
Str_Vect jarg5_,
boolean jarg6) |
static java.lang.String |
MolFragmentToCXSmiles__SWIG_6(long jarg1,
ROMol jarg1_,
long jarg2,
Int_Vect jarg2_,
long jarg3,
Int_Vect jarg3_,
long jarg4,
Str_Vect jarg4_,
long jarg5,
Str_Vect jarg5_) |
static java.lang.String |
MolFragmentToCXSmiles__SWIG_7(long jarg1,
ROMol jarg1_,
long jarg2,
Int_Vect jarg2_,
long jarg3,
Int_Vect jarg3_,
long jarg4,
Str_Vect jarg4_) |
static java.lang.String |
MolFragmentToCXSmiles__SWIG_8(long jarg1,
ROMol jarg1_,
long jarg2,
Int_Vect jarg2_,
long jarg3,
Int_Vect jarg3_) |
static java.lang.String |
MolFragmentToCXSmiles__SWIG_9(long jarg1,
ROMol jarg1_,
long jarg2,
Int_Vect jarg2_) |
static java.lang.String |
MolFragmentToSmarts__SWIG_0(long jarg1,
ROMol jarg1_,
long jarg2,
Int_Vect jarg2_,
long jarg3,
Int_Vect jarg3_,
boolean jarg4) |
static java.lang.String |
MolFragmentToSmarts__SWIG_1(long jarg1,
ROMol jarg1_,
long jarg2,
Int_Vect jarg2_,
long jarg3,
Int_Vect jarg3_) |
static java.lang.String |
MolFragmentToSmarts__SWIG_2(long jarg1,
ROMol jarg1_,
long jarg2,
Int_Vect jarg2_) |
static java.lang.String |
MolFragmentToSmiles__SWIG_0(long jarg1,
ROMol jarg1_,
long jarg2,
Int_Vect jarg2_,
long jarg3,
Int_Vect jarg3_,
long jarg4,
Str_Vect jarg4_,
long jarg5,
Str_Vect jarg5_,
boolean jarg6,
boolean jarg7,
int jarg8,
boolean jarg9,
boolean jarg10,
boolean jarg11) |
static java.lang.String |
MolFragmentToSmiles__SWIG_1(long jarg1,
ROMol jarg1_,
long jarg2,
Int_Vect jarg2_,
long jarg3,
Int_Vect jarg3_,
long jarg4,
Str_Vect jarg4_,
long jarg5,
Str_Vect jarg5_,
boolean jarg6,
boolean jarg7,
int jarg8,
boolean jarg9,
boolean jarg10) |
static java.lang.String |
MolFragmentToSmiles__SWIG_2(long jarg1,
ROMol jarg1_,
long jarg2,
Int_Vect jarg2_,
long jarg3,
Int_Vect jarg3_,
long jarg4,
Str_Vect jarg4_,
long jarg5,
Str_Vect jarg5_,
boolean jarg6,
boolean jarg7,
int jarg8,
boolean jarg9) |
static java.lang.String |
MolFragmentToSmiles__SWIG_3(long jarg1,
ROMol jarg1_,
long jarg2,
Int_Vect jarg2_,
long jarg3,
Int_Vect jarg3_,
long jarg4,
Str_Vect jarg4_,
long jarg5,
Str_Vect jarg5_,
boolean jarg6,
boolean jarg7,
int jarg8) |
static java.lang.String |
MolFragmentToSmiles__SWIG_4(long jarg1,
ROMol jarg1_,
long jarg2,
Int_Vect jarg2_,
long jarg3,
Int_Vect jarg3_,
long jarg4,
Str_Vect jarg4_,
long jarg5,
Str_Vect jarg5_,
boolean jarg6,
boolean jarg7) |
static java.lang.String |
MolFragmentToSmiles__SWIG_5(long jarg1,
ROMol jarg1_,
long jarg2,
Int_Vect jarg2_,
long jarg3,
Int_Vect jarg3_,
long jarg4,
Str_Vect jarg4_,
long jarg5,
Str_Vect jarg5_,
boolean jarg6) |
static java.lang.String |
MolFragmentToSmiles__SWIG_6(long jarg1,
ROMol jarg1_,
long jarg2,
Int_Vect jarg2_,
long jarg3,
Int_Vect jarg3_,
long jarg4,
Str_Vect jarg4_,
long jarg5,
Str_Vect jarg5_) |
static java.lang.String |
MolFragmentToSmiles__SWIG_7(long jarg1,
ROMol jarg1_,
long jarg2,
Int_Vect jarg2_,
long jarg3,
Int_Vect jarg3_,
long jarg4,
Str_Vect jarg4_) |
static java.lang.String |
MolFragmentToSmiles__SWIG_8(long jarg1,
ROMol jarg1_,
long jarg2,
Int_Vect jarg2_,
long jarg3,
Int_Vect jarg3_) |
static java.lang.String |
MolFragmentToSmiles__SWIG_9(long jarg1,
ROMol jarg1_,
long jarg2,
Int_Vect jarg2_) |
static java.lang.String |
MolHash(long jarg1,
RWMol jarg1_,
int jarg2) |
static long |
MolHolder_addMol(long jarg1,
MolHolder jarg1_,
long jarg2,
ROMol jarg2_) |
static long |
MolHolder_getMol(long jarg1,
MolHolder jarg1_,
long jarg2) |
static long |
MolHolder_getMols__SWIG_0(long jarg1,
MolHolder jarg1_) |
static long |
MolHolder_size(long jarg1,
MolHolder jarg1_) |
static long |
MolHolder_SWIGSmartPtrUpcast(long jarg1) |
static long |
MolHolderBase_addMol(long jarg1,
MolHolderBase jarg1_,
long jarg2,
ROMol jarg2_) |
static long |
MolHolderBase_getMol(long jarg1,
MolHolderBase jarg1_,
long jarg2) |
static long |
MolHolderBase_size(long jarg1,
MolHolderBase jarg1_) |
static java.lang.String |
molInversionFlag_get() |
static java.lang.String |
molParity_get() |
static java.lang.String |
MolPicklerException_message(long jarg1,
MolPicklerException jarg1_) |
static int |
MolProps_get() |
static java.lang.String |
molRxnComponent_get() |
static java.lang.String |
molRxnRole_get() |
static long |
MolSanitizeException_copy(long jarg1,
MolSanitizeException jarg1_) |
static java.lang.String |
MolSanitizeException_getType(long jarg1,
MolSanitizeException jarg1_) |
static java.lang.String |
MolSanitizeException_message(long jarg1,
MolSanitizeException jarg1_) |
static void |
MolSanitizeException_Vect_add(long jarg1,
MolSanitizeException_Vect jarg1_,
long jarg2,
MolSanitizeException jarg2_) |
static long |
MolSanitizeException_Vect_capacity(long jarg1,
MolSanitizeException_Vect jarg1_) |
static void |
MolSanitizeException_Vect_clear(long jarg1,
MolSanitizeException_Vect jarg1_) |
static boolean |
MolSanitizeException_Vect_equals(long jarg1,
MolSanitizeException_Vect jarg1_,
long jarg2,
MolSanitizeException_Vect jarg2_) |
static long |
MolSanitizeException_Vect_get(long jarg1,
MolSanitizeException_Vect jarg1_,
int jarg2) |
static boolean |
MolSanitizeException_Vect_isEmpty(long jarg1,
MolSanitizeException_Vect jarg1_) |
static void |
MolSanitizeException_Vect_reserve(long jarg1,
MolSanitizeException_Vect jarg1_,
long jarg2) |
static void |
MolSanitizeException_Vect_set(long jarg1,
MolSanitizeException_Vect jarg1_,
int jarg2,
long jarg3,
MolSanitizeException jarg3_) |
static long |
MolSanitizeException_Vect_size(long jarg1,
MolSanitizeException_Vect jarg1_) |
static int |
MolStackElem_number_get(long jarg1,
MolStackElem jarg1_) |
static void |
MolStackElem_number_set(long jarg1,
MolStackElem jarg1_,
int jarg2) |
static long |
MolStackElem_obj_get(long jarg1,
MolStackElem jarg1_) |
static void |
MolStackElem_obj_set(long jarg1,
MolStackElem jarg1_,
long jarg2,
MolStackUnion jarg2_) |
static int |
MolStackElem_type_get(long jarg1,
MolStackElem jarg1_) |
static void |
MolStackElem_type_set(long jarg1,
MolStackElem jarg1_,
int jarg2) |
static long |
MolStackUnion_atom_get(long jarg1,
MolStackUnion jarg1_) |
static void |
MolStackUnion_atom_set(long jarg1,
MolStackUnion jarg1_,
long jarg2,
Atom jarg2_) |
static long |
MolStackUnion_bond_get(long jarg1,
MolStackUnion jarg1_) |
static void |
MolStackUnion_bond_set(long jarg1,
MolStackUnion jarg1_,
long jarg2,
Bond jarg2_) |
static boolean |
MolSupplier_atEnd(long jarg1,
MolSupplier jarg1_) |
static void |
MolSupplier_init(long jarg1,
MolSupplier jarg1_) |
static long |
MolSupplier_next(long jarg1,
MolSupplier jarg1_) |
static void |
MolSupplier_reset(long jarg1,
MolSupplier jarg1_) |
static java.lang.String |
MolToCXSmiles__SWIG_0(long jarg1,
ROMol jarg1_,
boolean jarg2,
boolean jarg3,
int jarg4,
boolean jarg5,
boolean jarg6,
boolean jarg7,
boolean jarg8) |
static java.lang.String |
MolToCXSmiles__SWIG_1(long jarg1,
ROMol jarg1_,
boolean jarg2,
boolean jarg3,
int jarg4,
boolean jarg5,
boolean jarg6,
boolean jarg7) |
static java.lang.String |
MolToCXSmiles__SWIG_2(long jarg1,
ROMol jarg1_,
boolean jarg2,
boolean jarg3,
int jarg4,
boolean jarg5,
boolean jarg6) |
static java.lang.String |
MolToCXSmiles__SWIG_3(long jarg1,
ROMol jarg1_,
boolean jarg2,
boolean jarg3,
int jarg4,
boolean jarg5) |
static java.lang.String |
MolToCXSmiles__SWIG_4(long jarg1,
ROMol jarg1_,
boolean jarg2,
boolean jarg3,
int jarg4) |
static java.lang.String |
MolToCXSmiles__SWIG_5(long jarg1,
ROMol jarg1_,
boolean jarg2,
boolean jarg3) |
static java.lang.String |
MolToCXSmiles__SWIG_6(long jarg1,
ROMol jarg1_,
boolean jarg2) |
static java.lang.String |
MolToCXSmiles__SWIG_7(long jarg1,
ROMol jarg1_) |
static java.lang.String |
MolToInchi__SWIG_0(long jarg1,
ROMol jarg1_,
long jarg2,
ExtraInchiReturnValues jarg2_,
java.lang.String jarg3) |
static java.lang.String |
MolToInchi__SWIG_1(long jarg1,
ROMol jarg1_,
long jarg2,
ExtraInchiReturnValues jarg2_) |
static java.lang.String |
MolToInchiKey__SWIG_0(long jarg1,
ROMol jarg1_,
java.lang.String jarg2) |
static java.lang.String |
MolToInchiKey__SWIG_1(long jarg1,
ROMol jarg1_) |
static java.lang.String |
MolToMolBlock__SWIG_0(long jarg1,
ROMol jarg1_,
boolean jarg2,
int jarg3,
boolean jarg4,
boolean jarg5) |
static java.lang.String |
MolToMolBlock__SWIG_1(long jarg1,
ROMol jarg1_,
boolean jarg2,
int jarg3,
boolean jarg4) |
static java.lang.String |
MolToMolBlock__SWIG_2(long jarg1,
ROMol jarg1_,
boolean jarg2,
int jarg3) |
static java.lang.String |
MolToMolBlock__SWIG_3(long jarg1,
ROMol jarg1_,
boolean jarg2) |
static java.lang.String |
MolToMolBlock__SWIG_4(long jarg1,
ROMol jarg1_) |
static void |
MolToMolFile__SWIG_0(long jarg1,
ROMol jarg1_,
java.lang.String jarg2,
boolean jarg3,
int jarg4,
boolean jarg5,
boolean jarg6) |
static void |
MolToMolFile__SWIG_1(long jarg1,
ROMol jarg1_,
java.lang.String jarg2,
boolean jarg3,
int jarg4,
boolean jarg5) |
static void |
MolToMolFile__SWIG_2(long jarg1,
ROMol jarg1_,
java.lang.String jarg2,
boolean jarg3,
int jarg4) |
static void |
MolToMolFile__SWIG_3(long jarg1,
ROMol jarg1_,
java.lang.String jarg2,
boolean jarg3) |
static void |
MolToMolFile__SWIG_4(long jarg1,
ROMol jarg1_,
java.lang.String jarg2) |
static java.lang.String |
MolToPDBBlock__SWIG_0(long jarg1,
ROMol jarg1_,
int jarg2,
long jarg3) |
static java.lang.String |
MolToPDBBlock__SWIG_1(long jarg1,
ROMol jarg1_,
int jarg2) |
static java.lang.String |
MolToPDBBlock__SWIG_2(long jarg1,
ROMol jarg1_) |
static void |
MolToPDBFile__SWIG_0(long jarg1,
ROMol jarg1_,
java.lang.String jarg2,
int jarg3,
long jarg4) |
static void |
MolToPDBFile__SWIG_1(long jarg1,
ROMol jarg1_,
java.lang.String jarg2,
int jarg3) |
static void |
MolToPDBFile__SWIG_2(long jarg1,
ROMol jarg1_,
java.lang.String jarg2) |
static java.lang.String |
MolToSmarts__SWIG_0(long jarg1,
ROMol jarg1_,
boolean jarg2) |
static java.lang.String |
MolToSmarts__SWIG_1(long jarg1,
ROMol jarg1_) |
static java.lang.String |
MolToSmiles__SWIG_0(long jarg1,
ROMol jarg1_,
boolean jarg2,
boolean jarg3,
int jarg4,
boolean jarg5,
boolean jarg6,
boolean jarg7,
boolean jarg8) |
static java.lang.String |
MolToSmiles__SWIG_1(long jarg1,
ROMol jarg1_,
boolean jarg2,
boolean jarg3,
int jarg4,
boolean jarg5,
boolean jarg6,
boolean jarg7) |
static java.lang.String |
MolToSmiles__SWIG_2(long jarg1,
ROMol jarg1_,
boolean jarg2,
boolean jarg3,
int jarg4,
boolean jarg5,
boolean jarg6) |
static java.lang.String |
MolToSmiles__SWIG_3(long jarg1,
ROMol jarg1_,
boolean jarg2,
boolean jarg3,
int jarg4,
boolean jarg5) |
static java.lang.String |
MolToSmiles__SWIG_4(long jarg1,
ROMol jarg1_,
boolean jarg2,
boolean jarg3,
int jarg4) |
static java.lang.String |
MolToSmiles__SWIG_5(long jarg1,
ROMol jarg1_,
boolean jarg2,
boolean jarg3) |
static java.lang.String |
MolToSmiles__SWIG_6(long jarg1,
ROMol jarg1_,
boolean jarg2) |
static java.lang.String |
MolToSmiles__SWIG_7(long jarg1,
ROMol jarg1_) |
static void |
MolToTPLFile__SWIG_0(long jarg1,
ROMol jarg1_,
java.lang.String jarg2,
java.lang.String jarg3,
boolean jarg4) |
static void |
MolToTPLFile__SWIG_1(long jarg1,
ROMol jarg1_,
java.lang.String jarg2,
java.lang.String jarg3) |
static void |
MolToTPLFile__SWIG_2(long jarg1,
ROMol jarg1_,
java.lang.String jarg2) |
static java.lang.String |
MolToTPLText__SWIG_0(long jarg1,
ROMol jarg1_,
java.lang.String jarg2,
boolean jarg3) |
static java.lang.String |
MolToTPLText__SWIG_1(long jarg1,
ROMol jarg1_,
java.lang.String jarg2) |
static java.lang.String |
MolToTPLText__SWIG_2(long jarg1,
ROMol jarg1_) |
static java.lang.String |
molTotValence_get() |
static java.lang.String |
MolToXYZBlock__SWIG_0(long jarg1,
ROMol jarg1_,
int jarg2) |
static java.lang.String |
MolToXYZBlock__SWIG_1(long jarg1,
ROMol jarg1_) |
static void |
MolToXYZFile__SWIG_0(long jarg1,
ROMol jarg1_,
java.lang.String jarg2,
int jarg3) |
static void |
MolToXYZFile__SWIG_1(long jarg1,
ROMol jarg1_,
java.lang.String jarg2) |
static void |
MolWriter_close(long jarg1,
MolWriter jarg1_) |
static void |
MolWriter_flush(long jarg1,
MolWriter jarg1_) |
static long |
MolWriter_numMols(long jarg1,
MolWriter jarg1_) |
static void |
MolWriter_setProps(long jarg1,
MolWriter jarg1_,
long jarg2,
Str_Vect jarg2_) |
static void |
MolWriter_write__SWIG_0(long jarg1,
MolWriter jarg1_,
long jarg2,
ROMol jarg2_,
int jarg3) |
static void |
MolWriter_write__SWIG_1(long jarg1,
MolWriter jarg1_,
long jarg2,
ROMol jarg2_) |
static java.lang.String |
morganConnectivityInvariantVersion_get() |
static java.lang.String |
morganFeatureInvariantVersion_get() |
static long |
MorganFingerprintMol__SWIG_0(long jarg1,
ROMol jarg1_,
long jarg2,
long jarg3,
UInt_Vect jarg3_,
long jarg4,
UInt_Vect jarg4_,
boolean jarg5,
boolean jarg6,
boolean jarg7,
boolean jarg8,
long jarg9,
BitInfoMap jarg9_) |
static long |
MorganFingerprintMol__SWIG_1(long jarg1,
ROMol jarg1_,
long jarg2,
long jarg3,
UInt_Vect jarg3_,
long jarg4,
UInt_Vect jarg4_,
boolean jarg5,
boolean jarg6,
boolean jarg7,
boolean jarg8) |
static long |
MorganFingerprintMol__SWIG_2(long jarg1,
ROMol jarg1_,
long jarg2,
long jarg3,
UInt_Vect jarg3_,
long jarg4,
UInt_Vect jarg4_,
boolean jarg5,
boolean jarg6,
boolean jarg7) |
static long |
MorganFingerprintMol__SWIG_3(long jarg1,
ROMol jarg1_,
long jarg2,
long jarg3,
UInt_Vect jarg3_,
long jarg4,
UInt_Vect jarg4_,
boolean jarg5,
boolean jarg6) |
static long |
MorganFingerprintMol__SWIG_4(long jarg1,
ROMol jarg1_,
long jarg2,
long jarg3,
UInt_Vect jarg3_,
long jarg4,
UInt_Vect jarg4_,
boolean jarg5) |
static long |
MorganFingerprintMol__SWIG_5(long jarg1,
ROMol jarg1_,
long jarg2,
long jarg3,
UInt_Vect jarg3_,
long jarg4,
UInt_Vect jarg4_) |
static long |
MorganFingerprintMol__SWIG_6(long jarg1,
ROMol jarg1_,
long jarg2,
long jarg3,
UInt_Vect jarg3_) |
static long |
MorganFingerprintMol__SWIG_7(long jarg1,
ROMol jarg1_,
long jarg2) |
static java.lang.String |
morganFingerprintVersion_get() |
static java.lang.String |
MQNVersion_get() |
static java.lang.String |
MRV_SMA_get() |
static long |
MurckoDecompose(long jarg1,
ROMol jarg1_) |
static long |
new_AdjustQueryParameters() |
static long |
new_AngleBendContrib__SWIG_0() |
static long |
new_AngleBendContrib__SWIG_1(long jarg1,
ForceField jarg1_,
long jarg2,
long jarg3,
long jarg4,
double jarg5,
double jarg6,
long jarg7,
AtomicParams jarg7_,
long jarg8,
AtomicParams jarg8_,
long jarg9,
AtomicParams jarg9_,
long jarg10) |
static long |
new_AngleBendContrib__SWIG_2(long jarg1,
ForceField jarg1_,
long jarg2,
long jarg3,
long jarg4,
double jarg5,
double jarg6,
long jarg7,
AtomicParams jarg7_,
long jarg8,
AtomicParams jarg8_,
long jarg9,
AtomicParams jarg9_) |
static long |
new_AromaticAtomIterator__SWIG_0() |
static long |
new_AromaticAtomIterator__SWIG_1(long jarg1,
ROMol jarg1_) |
static long |
new_AromaticAtomIterator__SWIG_2(long jarg1,
ROMol jarg1_,
int jarg2) |
static long |
new_AromaticAtomIterator__SWIG_3(long jarg1,
AromaticAtomIterator jarg1_) |
static long |
new_Atom__SWIG_0() |
static long |
new_Atom__SWIG_1(long jarg1) |
static long |
new_Atom__SWIG_2(java.lang.String jarg1) |
static long |
new_Atom__SWIG_3(long jarg1,
Atom jarg1_) |
static long |
new_Atom_Vect__SWIG_0() |
static long |
new_Atom_Vect__SWIG_1(long jarg1) |
static long |
new_Atomic_Params_Vect__SWIG_0() |
static long |
new_Atomic_Params_Vect__SWIG_1(long jarg1) |
static long |
new_atomicData(java.lang.String jarg1) |
static long |
new_AtomicParams() |
static long |
new_AtomIterator__SWIG_0() |
static long |
new_AtomIterator__SWIG_1(long jarg1,
ROMol jarg1_) |
static long |
new_AtomIterator__SWIG_2(long jarg1,
ROMol jarg1_,
int jarg2) |
static long |
new_AtomIterator__SWIG_3(long jarg1,
AtomIterator jarg1_) |
static long |
new_AtomKekulizeException__SWIG_0(java.lang.String jarg1,
long jarg2) |
static long |
new_AtomKekulizeException__SWIG_2(long jarg1,
AtomKekulizeException jarg1_) |
static long |
new_AtomMonomerInfo__SWIG_0() |
static long |
new_AtomMonomerInfo__SWIG_1(int jarg1,
java.lang.String jarg2) |
static long |
new_AtomMonomerInfo__SWIG_2(int jarg1) |
static long |
new_AtomMonomerInfo__SWIG_3(long jarg1,
AtomMonomerInfo jarg1_) |
static long |
new_AtomPDBResidueInfo__SWIG_0() |
static long |
new_AtomPDBResidueInfo__SWIG_1(long jarg1,
AtomPDBResidueInfo jarg1_) |
static long |
new_AtomPDBResidueInfo__SWIG_10(java.lang.String jarg1,
int jarg2,
java.lang.String jarg3,
java.lang.String jarg4) |
static long |
new_AtomPDBResidueInfo__SWIG_11(java.lang.String jarg1,
int jarg2,
java.lang.String jarg3) |
static long |
new_AtomPDBResidueInfo__SWIG_12(java.lang.String jarg1,
int jarg2) |
static long |
new_AtomPDBResidueInfo__SWIG_13(java.lang.String jarg1) |
static long |
new_AtomPDBResidueInfo__SWIG_2(java.lang.String jarg1,
int jarg2,
java.lang.String jarg3,
java.lang.String jarg4,
int jarg5,
java.lang.String jarg6,
java.lang.String jarg7,
double jarg8,
double jarg9,
boolean jarg10,
long jarg11,
long jarg12) |
static long |
new_AtomPDBResidueInfo__SWIG_3(java.lang.String jarg1,
int jarg2,
java.lang.String jarg3,
java.lang.String jarg4,
int jarg5,
java.lang.String jarg6,
java.lang.String jarg7,
double jarg8,
double jarg9,
boolean jarg10,
long jarg11) |
static long |
new_AtomPDBResidueInfo__SWIG_4(java.lang.String jarg1,
int jarg2,
java.lang.String jarg3,
java.lang.String jarg4,
int jarg5,
java.lang.String jarg6,
java.lang.String jarg7,
double jarg8,
double jarg9,
boolean jarg10) |
static long |
new_AtomPDBResidueInfo__SWIG_5(java.lang.String jarg1,
int jarg2,
java.lang.String jarg3,
java.lang.String jarg4,
int jarg5,
java.lang.String jarg6,
java.lang.String jarg7,
double jarg8,
double jarg9) |
static long |
new_AtomPDBResidueInfo__SWIG_6(java.lang.String jarg1,
int jarg2,
java.lang.String jarg3,
java.lang.String jarg4,
int jarg5,
java.lang.String jarg6,
java.lang.String jarg7,
double jarg8) |
static long |
new_AtomPDBResidueInfo__SWIG_7(java.lang.String jarg1,
int jarg2,
java.lang.String jarg3,
java.lang.String jarg4,
int jarg5,
java.lang.String jarg6,
java.lang.String jarg7) |
static long |
new_AtomPDBResidueInfo__SWIG_8(java.lang.String jarg1,
int jarg2,
java.lang.String jarg3,
java.lang.String jarg4,
int jarg5,
java.lang.String jarg6) |
static long |
new_AtomPDBResidueInfo__SWIG_9(java.lang.String jarg1,
int jarg2,
java.lang.String jarg3,
java.lang.String jarg4,
int jarg5) |
static long |
new_AtomRingQuery__SWIG_0() |
static long |
new_AtomRingQuery__SWIG_1(int jarg1) |
static long |
new_AtomSanitizeException__SWIG_0(java.lang.String jarg1,
long jarg2) |
static long |
new_AtomSanitizeException__SWIG_2(long jarg1,
AtomSanitizeException jarg1_) |
static long |
new_AtomValenceException__SWIG_0(java.lang.String jarg1,
long jarg2) |
static long |
new_AtomValenceException__SWIG_2(long jarg1,
AtomValenceException jarg1_) |
static long |
new_BitInfoMap__SWIG_0() |
static long |
new_BitInfoMap__SWIG_1(long jarg1,
BitInfoMap jarg1_) |
static long |
new_Bond__SWIG_0() |
static long |
new_Bond__SWIG_1(int jarg1) |
static long |
new_Bond__SWIG_2(long jarg1,
Bond jarg1_) |
static long |
new_Bond_Vect__SWIG_0() |
static long |
new_Bond_Vect__SWIG_1(long jarg1) |
static long |
new_BondIterator__SWIG_0() |
static long |
new_BondIterator__SWIG_1(long jarg1,
ROMol jarg1_) |
static long |
new_BondIterator__SWIG_2(long jarg1,
ROMol jarg1_,
long jarg2) |
static long |
new_BondIterator__SWIG_3(long jarg1,
BondIterator jarg1_) |
static long |
new_BondStretchContrib__SWIG_0() |
static long |
new_BondStretchContrib__SWIG_1(long jarg1,
ForceField jarg1_,
long jarg2,
long jarg3,
double jarg4,
long jarg5,
AtomicParams jarg5_,
long jarg6,
AtomicParams jarg6_) |
static long |
new_BoundsMatrix__SWIG_0(long jarg1) |
static long |
new_BoundsMatrix__SWIG_1(long jarg1,
long jarg2,
Shared_Double_Array jarg2_) |
static long |
new_Byte_Vect__SWIG_0() |
static long |
new_Byte_Vect__SWIG_1(long jarg1) |
static long |
new_CachedMolHolder() |
static long |
new_CachedSmilesMolHolder() |
static long |
new_CachedTrustedSmilesMolHolder() |
static long |
new_charptr_functor() |
static long |
new_ChemicalReaction__SWIG_0() |
static long |
new_ChemicalReaction__SWIG_1(long jarg1,
ChemicalReaction jarg1_) |
static long |
new_ChemicalReaction__SWIG_2(java.lang.String jarg1) |
static long |
new_ChemicalReactionException__SWIG_0(java.lang.String jarg1) |
static long |
new_ChemicalReactionParserException__SWIG_0(java.lang.String jarg1) |
static long |
new_ChiralSet(long jarg1,
long jarg2,
long jarg3,
long jarg4,
long jarg5,
double jarg6,
double jarg7) |
static long |
new_CleanupParameters() |
static long |
new_ColourPalette__SWIG_0() |
static long |
new_ColourPalette__SWIG_1(long jarg1,
ColourPalette jarg1_) |
static long |
new_Conformer__SWIG_0() |
static long |
new_Conformer__SWIG_1(long jarg1) |
static long |
new_Conformer__SWIG_2(long jarg1,
Conformer jarg1_) |
static long |
new_ConformerException__SWIG_0(java.lang.String jarg1) |
static long |
new_ConstBondIterator__SWIG_0() |
static long |
new_ConstBondIterator__SWIG_1(long jarg1,
ROMol jarg1_) |
static long |
new_ConstBondIterator__SWIG_2(long jarg1,
ROMol jarg1_,
long jarg2) |
static long |
new_ConstBondIterator__SWIG_3(long jarg1,
ConstBondIterator jarg1_) |
static long |
new_ContourParams() |
static long |
new_Dict__SWIG_0() |
static long |
new_Dict__SWIG_1(long jarg1,
Dict jarg1_) |
static long |
new_DistanceConstraintContrib__SWIG_0() |
static long |
new_DistanceConstraintContrib__SWIG_1(long jarg1,
ForceField jarg1_,
long jarg2,
long jarg3,
double jarg4,
double jarg5,
double jarg6) |
static long |
new_DistanceConstraintContrib__SWIG_2(long jarg1,
ForceField jarg1_,
long jarg2,
long jarg3,
boolean jarg4,
double jarg5,
double jarg6,
double jarg7) |
static long |
new_DistanceGeom() |
static long |
new_Double_Array(int jarg1) |
static long |
new_Double_Pair__SWIG_0() |
static long |
new_Double_Pair__SWIG_1(double jarg1,
double jarg2) |
static long |
new_Double_Pair__SWIG_2(long jarg1,
Double_Pair jarg1_) |
static long |
new_Double_Vect__SWIG_0() |
static long |
new_Double_Vect__SWIG_1(long jarg1) |
static long |
new_DoubleMatrix__SWIG_0(long jarg1,
long jarg2) |
static long |
new_DoubleMatrix__SWIG_1(long jarg1,
long jarg2,
double jarg3) |
static long |
new_DoubleMatrix__SWIG_2(long jarg1,
long jarg2,
long jarg3,
Shared_Double_Array jarg3_) |
static long |
new_DoubleMatrix__SWIG_3(long jarg1,
DoubleMatrix jarg1_) |
static long |
new_DoubleSquareMatrix__SWIG_0() |
static long |
new_DoubleSquareMatrix__SWIG_1(long jarg1) |
static long |
new_DoubleSquareMatrix__SWIG_2(long jarg1,
double jarg2) |
static long |
new_DoubleSquareMatrix__SWIG_3(long jarg1,
long jarg2,
Shared_Double_Array jarg2_) |
static long |
new_DoubleSymmMatrix__SWIG_0(long jarg1) |
static long |
new_DoubleSymmMatrix__SWIG_1(long jarg1,
double jarg2) |
static long |
new_DoubleSymmMatrix__SWIG_2(long jarg1,
long jarg2,
Shared_Double_Array jarg2_) |
static long |
new_DoubleSymmMatrix__SWIG_3(long jarg1,
DoubleSymmMatrix jarg1_) |
static long |
new_DrawColour__SWIG_0() |
static long |
new_DrawColour__SWIG_1(double jarg1,
double jarg2,
double jarg3,
double jarg4) |
static long |
new_DrawColour__SWIG_2(double jarg1,
double jarg2,
double jarg3) |
static long |
new_EBV_Vect__SWIG_0() |
static long |
new_EBV_Vect__SWIG_1(long jarg1) |
static long |
new_EmbedParameters__SWIG_0() |
static long |
new_EmbedParameters__SWIG_1(long jarg1,
int jarg2,
int jarg3,
boolean jarg4,
boolean jarg5,
double jarg6,
boolean jarg7,
long jarg8,
long jarg9,
Int_Point3D_Map jarg9_,
double jarg10,
boolean jarg11,
boolean jarg12,
boolean jarg13,
boolean jarg14,
boolean jarg15,
double jarg16,
double jarg17,
boolean jarg18,
long jarg19,
long jarg20,
BoundsMatrix jarg20_,
boolean jarg21) |
static long |
new_EmbedParameters__SWIG_2(long jarg1,
int jarg2,
int jarg3,
boolean jarg4,
boolean jarg5,
double jarg6,
boolean jarg7,
long jarg8,
long jarg9,
Int_Point3D_Map jarg9_,
double jarg10,
boolean jarg11,
boolean jarg12,
boolean jarg13,
boolean jarg14,
boolean jarg15,
double jarg16,
double jarg17,
boolean jarg18,
long jarg19,
long jarg20,
BoundsMatrix jarg20_) |
static long |
new_EmbedParameters__SWIG_3(long jarg1,
int jarg2,
int jarg3,
boolean jarg4,
boolean jarg5,
double jarg6,
boolean jarg7,
long jarg8,
long jarg9,
Int_Point3D_Map jarg9_,
double jarg10,
boolean jarg11,
boolean jarg12,
boolean jarg13,
boolean jarg14,
boolean jarg15,
double jarg16,
double jarg17,
boolean jarg18,
long jarg19) |
static long |
new_EmbedParameters__SWIG_4(long jarg1,
int jarg2,
int jarg3,
boolean jarg4,
boolean jarg5,
double jarg6,
boolean jarg7,
long jarg8,
long jarg9,
Int_Point3D_Map jarg9_,
double jarg10,
boolean jarg11,
boolean jarg12,
boolean jarg13,
boolean jarg14,
boolean jarg15,
double jarg16,
double jarg17,
boolean jarg18) |
static long |
new_EmbedParameters__SWIG_5(long jarg1,
EmbedParameters jarg1_) |
static long |
new_ExplicitBitVect__SWIG_0() |
static long |
new_ExplicitBitVect__SWIG_1(long jarg1) |
static long |
new_ExplicitBitVect__SWIG_2(long jarg1,
ExplicitBitVect jarg1_) |
static long |
new_ExplicitBitVect__SWIG_3(java.lang.String jarg1) |
static long |
new_ExplicitBitVect__SWIG_4(java.lang.String jarg1,
long jarg2) |
static long |
new_ExplicitBitVect__SWIG_5(long jarg1) |
static long |
new_ExplicitBitVect__SWIG_6(long jarg1,
UChar_Vect jarg1_) |
static long |
new_ExtraInchiReturnValues() |
static long |
new_FF_Contrib_Vect__SWIG_0() |
static long |
new_FF_Contrib_Vect__SWIG_1(long jarg1) |
static long |
new_FilterCatalog__SWIG_0() |
static long |
new_FilterCatalog__SWIG_1(int jarg1) |
static long |
new_FilterCatalog__SWIG_2(long jarg1,
FilterCatalogParams jarg1_) |
static long |
new_FilterCatalog__SWIG_3(long jarg1,
FilterCatalog jarg1_) |
static long |
new_FilterCatalog__SWIG_4(java.lang.String jarg1) |
static long |
new_FilterCatalog__SWIG_5(long jarg1,
UChar_Vect jarg1_) |
static long |
new_FilterCatalogEntry__SWIG_0() |
static long |
new_FilterCatalogEntry__SWIG_1(java.lang.String jarg1,
long jarg2,
FilterMatcherBase jarg2_) |
static long |
new_FilterCatalogEntry__SWIG_2(java.lang.String jarg1,
long jarg2) |
static long |
new_FilterCatalogEntry__SWIG_3(long jarg1,
FilterCatalogEntry jarg1_) |
static long |
new_FilterCatalogEntry_Vect__SWIG_0() |
static long |
new_FilterCatalogEntry_Vect__SWIG_1(long jarg1) |
static long |
new_FilterCatalogEntry_VectVect__SWIG_0() |
static long |
new_FilterCatalogEntry_VectVect__SWIG_1(long jarg1) |
static long |
new_FilterCatalogEntryVect__SWIG_0() |
static long |
new_FilterCatalogEntryVect__SWIG_1(long jarg1) |
static long |
new_FilterCatalogParams__SWIG_0() |
static long |
new_FilterCatalogParams__SWIG_1(int jarg1) |
static long |
new_FilterCatalogParams__SWIG_2(long jarg1,
FilterCatalogParams jarg1_) |
static long |
new_FilterMatch__SWIG_0() |
static long |
new_FilterMatch__SWIG_1(long jarg1,
long jarg2,
Match_Vect jarg2_) |
static long |
new_FilterMatch__SWIG_2(long jarg1,
FilterMatch jarg1_) |
static long |
new_FilterMatch_Vect__SWIG_0() |
static long |
new_FilterMatch_Vect__SWIG_1(long jarg1) |
static long |
new_Flagged_Atomic_Params_Vect__SWIG_0() |
static long |
new_Flagged_Atomic_Params_Vect__SWIG_1(long jarg1,
Atomic_Params_Vect jarg1_,
boolean jarg2) |
static long |
new_Flagged_Atomic_Params_Vect__SWIG_2(long jarg1,
Flagged_Atomic_Params_Vect jarg1_) |
static long |
new_Float_Pair__SWIG_0() |
static long |
new_Float_Pair__SWIG_1(float jarg1,
float jarg2) |
static long |
new_Float_Pair__SWIG_2(long jarg1,
Float_Pair jarg1_) |
static long |
new_Float_Pair_Vect__SWIG_0() |
static long |
new_Float_Pair_Vect__SWIG_1(long jarg1) |
static long |
new_ForceField__SWIG_0(long jarg1) |
static long |
new_ForceField__SWIG_1() |
static long |
new_ForceField__SWIG_2(long jarg1,
ForceField jarg1_) |
static long |
new_ForwardSDMolSupplier__SWIG_0() |
static long |
new_ForwardSDMolSupplier__SWIG_1(long jarg1,
boolean jarg2,
boolean jarg3,
boolean jarg4,
boolean jarg5) |
static long |
new_ForwardSDMolSupplier__SWIG_2(long jarg1,
boolean jarg2,
boolean jarg3,
boolean jarg4) |
static long |
new_ForwardSDMolSupplier__SWIG_3(long jarg1,
boolean jarg2,
boolean jarg3) |
static long |
new_ForwardSDMolSupplier__SWIG_4(long jarg1,
boolean jarg2) |
static long |
new_ForwardSDMolSupplier__SWIG_5(long jarg1) |
static long |
new_ForwardSDMolSupplier__SWIG_6(long jarg1,
gzstream jarg1_,
boolean jarg2,
boolean jarg3,
boolean jarg4) |
static long |
new_ForwardSDMolSupplier__SWIG_7(long jarg1,
gzstream jarg1_,
boolean jarg2,
boolean jarg3) |
static long |
new_ForwardSDMolSupplier__SWIG_8(long jarg1,
gzstream jarg1_,
boolean jarg2) |
static long |
new_ForwardSDMolSupplier__SWIG_9(long jarg1,
gzstream jarg1_) |
static long |
new_FragmenterBondType() |
static long |
new_GenericRDKitException__SWIG_0(java.lang.String jarg1) |
static long |
new_gzstream(java.lang.String jarg1) |
static long |
new_HeteroatomIterator__SWIG_0() |
static long |
new_HeteroatomIterator__SWIG_1(long jarg1,
ROMol jarg1_) |
static long |
new_HeteroatomIterator__SWIG_2(long jarg1,
ROMol jarg1_,
int jarg2) |
static long |
new_HeteroatomIterator__SWIG_3(long jarg1,
HeteroatomIterator jarg1_) |
static long |
new_IndexErrorException(int jarg1) |
static long |
new_Int_Double_Map__SWIG_0() |
static long |
new_Int_Double_Map__SWIG_1(long jarg1,
Int_Double_Map jarg1_) |
static long |
new_Int_Int_Map__SWIG_0() |
static long |
new_Int_Int_Map__SWIG_1(long jarg1,
Int_Int_Map jarg1_) |
static long |
new_Int_Int_Vect_List_Map__SWIG_0() |
static long |
new_Int_Int_Vect_List_Map__SWIG_1(long jarg1,
Int_Int_Vect_List_Map jarg1_) |
static long |
new_Int_Int_Vect_Map__SWIG_0() |
static long |
new_Int_Int_Vect_Map__SWIG_1(long jarg1,
Int_Int_Vect_Map jarg1_) |
static long |
new_Int_List() |
static long |
new_Int_Pair__SWIG_0() |
static long |
new_Int_Pair__SWIG_1(int jarg1,
int jarg2) |
static long |
new_Int_Pair__SWIG_2(long jarg1,
Int_Pair jarg1_) |
static long |
new_Int_Point2D_Map__SWIG_0() |
static long |
new_Int_Point2D_Map__SWIG_1(long jarg1,
Int_Point2D_Map jarg1_) |
static long |
new_Int_Point3D_Map__SWIG_0() |
static long |
new_Int_Point3D_Map__SWIG_1(long jarg1,
Int_Point3D_Map jarg1_) |
static long |
new_Int_String_Map__SWIG_0() |
static long |
new_Int_String_Map__SWIG_1(long jarg1,
Int_String_Map jarg1_) |
static long |
new_Int_Vect__SWIG_0() |
static long |
new_Int_Vect__SWIG_1(long jarg1) |
static long |
new_Int_Vect_List() |
static long |
new_Int_Vect_Vect__SWIG_0() |
static long |
new_Int_Vect_Vect__SWIG_1(long jarg1) |
static long |
new_IntMatrix__SWIG_0(long jarg1,
long jarg2) |
static long |
new_IntMatrix__SWIG_1(long jarg1,
long jarg2,
int jarg3) |
static long |
new_IntMatrix__SWIG_2(long jarg1,
long jarg2,
long jarg3,
Shared_Int_Array jarg3_) |
static long |
new_IntMatrix__SWIG_3(long jarg1,
IntMatrix jarg1_) |
static long |
new_IntSymmMatrix__SWIG_0(long jarg1) |
static long |
new_IntSymmMatrix__SWIG_1(long jarg1,
int jarg2) |
static long |
new_IntSymmMatrix__SWIG_2(long jarg1,
long jarg2,
Shared_Int_Array jarg2_) |
static long |
new_IntSymmMatrix__SWIG_3(long jarg1,
IntSymmMatrix jarg1_) |
static long |
new_InversionContrib__SWIG_0() |
static long |
new_InversionContrib__SWIG_1(long jarg1,
ForceField jarg1_,
long jarg2,
long jarg3,
long jarg4,
long jarg5,
int jarg6,
boolean jarg7,
double jarg8) |
static long |
new_InversionContrib__SWIG_2(long jarg1,
ForceField jarg1_,
long jarg2,
long jarg3,
long jarg4,
long jarg5,
int jarg6,
boolean jarg7) |
static long |
new_KekulizeException__SWIG_0(java.lang.String jarg1,
long jarg2,
UInt_Vect jarg2_) |
static long |
new_KekulizeException__SWIG_2(long jarg1,
KekulizeException jarg1_) |
static long |
new_KeyErrorException(java.lang.String jarg1) |
static long |
new_Long_Pair__SWIG_0() |
static long |
new_Long_Pair__SWIG_1(long jarg1,
int jarg2) |
static long |
new_Long_Pair__SWIG_2(long jarg1,
Long_Pair jarg1_) |
static long |
new_Long_Pair_Vect__SWIG_0() |
static long |
new_Long_Pair_Vect__SWIG_1(long jarg1) |
static long |
new_ltDouble() |
static long |
new_Match_Vect__SWIG_0() |
static long |
new_Match_Vect__SWIG_1(long jarg1) |
static long |
new_Match_Vect_Vect__SWIG_0() |
static long |
new_Match_Vect_Vect__SWIG_1(long jarg1) |
static long |
new_MCSAtomCompareParameters() |
static long |
new_MCSBondCompareParameters() |
static long |
new_MCSProgressData() |
static long |
new_MCSResult() |
static long |
new_MolDraw2DSVG__SWIG_0(int jarg1,
int jarg2,
long jarg3,
int jarg4,
int jarg5) |
static long |
new_MolDraw2DSVG__SWIG_1(int jarg1,
int jarg2,
long jarg3,
int jarg4) |
static long |
new_MolDraw2DSVG__SWIG_2(int jarg1,
int jarg2,
int jarg3,
int jarg4) |
static long |
new_MolDraw2DSVG__SWIG_3(int jarg1,
int jarg2,
int jarg3) |
static long |
new_MolDraw2DSVG__SWIG_4(int jarg1,
int jarg2) |
static long |
new_MolDrawOptions() |
static long |
new_MolFileUnhandledFeatureException__SWIG_0(java.lang.String jarg1) |
static long |
new_MolHolder() |
static long |
new_MolPicklerException__SWIG_0(java.lang.String jarg1) |
static long |
new_MolSanitizeException__SWIG_0(java.lang.String jarg1) |
static long |
new_MolSanitizeException__SWIG_2(long jarg1,
MolSanitizeException jarg1_) |
static long |
new_MolSanitizeException_Vect__SWIG_0() |
static long |
new_MolSanitizeException_Vect__SWIG_1(long jarg1) |
static long |
new_MolStackElem__SWIG_0(long jarg1,
Atom jarg1_) |
static long |
new_MolStackElem__SWIG_1(long jarg1,
Bond jarg1_,
int jarg2) |
static long |
new_MolStackElem__SWIG_2(int jarg1) |
static long |
new_MolStackElem__SWIG_3(java.lang.String jarg1,
int jarg2) |
static long |
new_MolStackUnion() |
static long |
new_PatternHolder() |
static long |
new_PDBMolSupplier__SWIG_0(long jarg1,
boolean jarg2,
boolean jarg3,
boolean jarg4,
long jarg5,
boolean jarg6) |
static long |
new_PDBMolSupplier__SWIG_1(long jarg1,
boolean jarg2,
boolean jarg3,
boolean jarg4,
long jarg5) |
static long |
new_PDBMolSupplier__SWIG_10(java.lang.String jarg1) |
static long |
new_PDBMolSupplier__SWIG_2(long jarg1,
boolean jarg2,
boolean jarg3,
boolean jarg4) |
static long |
new_PDBMolSupplier__SWIG_3(long jarg1,
boolean jarg2,
boolean jarg3) |
static long |
new_PDBMolSupplier__SWIG_4(long jarg1,
boolean jarg2) |
static long |
new_PDBMolSupplier__SWIG_5(long jarg1) |
static long |
new_PDBMolSupplier__SWIG_6(java.lang.String jarg1,
boolean jarg2,
boolean jarg3,
long jarg4,
boolean jarg5) |
static long |
new_PDBMolSupplier__SWIG_7(java.lang.String jarg1,
boolean jarg2,
boolean jarg3,
long jarg4) |
static long |
new_PDBMolSupplier__SWIG_8(java.lang.String jarg1,
boolean jarg2,
boolean jarg3) |
static long |
new_PDBMolSupplier__SWIG_9(java.lang.String jarg1,
boolean jarg2) |
static long |
new_PDBWriter__SWIG_0(java.lang.String jarg1,
long jarg2) |
static long |
new_PDBWriter__SWIG_1(java.lang.String jarg1) |
static long |
new_PDBWriter__SWIG_2(long jarg1,
boolean jarg2,
long jarg3) |
static long |
new_PDBWriter__SWIG_3(long jarg1,
boolean jarg2) |
static long |
new_PDBWriter__SWIG_4(long jarg1) |
static long |
new_Point_Vect__SWIG_0() |
static long |
new_Point_Vect__SWIG_1(long jarg1) |
static long |
new_Point2D__SWIG_0() |
static long |
new_Point2D__SWIG_1(double jarg1,
double jarg2) |
static long |
new_Point2D__SWIG_2(long jarg1,
Point2D jarg1_) |
static long |
new_Point2D__SWIG_3(long jarg1,
Point3D jarg1_) |
static long |
new_Point2D_Vect__SWIG_0() |
static long |
new_Point2D_Vect__SWIG_1(long jarg1) |
static long |
new_Point3D__SWIG_0() |
static long |
new_Point3D__SWIG_1(double jarg1,
double jarg2,
double jarg3) |
static long |
new_Point3D__SWIG_2(long jarg1,
Point3D jarg1_) |
static long |
new_Point3D_Vect__SWIG_0() |
static long |
new_Point3D_Vect__SWIG_1(long jarg1) |
static long |
new_PointND__SWIG_0(long jarg1) |
static long |
new_PointND__SWIG_1(long jarg1,
PointND jarg1_) |
static long |
new_QueryAtom__SWIG_0() |
static long |
new_QueryAtom__SWIG_1(int jarg1) |
static long |
new_QueryAtom__SWIG_2(long jarg1,
Atom jarg1_) |
static long |
new_QueryAtom__SWIG_3(long jarg1,
QueryAtom jarg1_) |
static long |
new_QueryAtomIterator__SWIG_0() |
static long |
new_QueryAtomIterator__SWIG_1(long jarg1,
ROMol jarg1_,
long jarg2,
QueryAtom jarg2_) |
static long |
new_QueryAtomIterator__SWIG_2(long jarg1,
ROMol jarg1_,
int jarg2) |
static long |
new_QueryAtomIterator__SWIG_3(long jarg1,
QueryAtomIterator jarg1_) |
static long |
new_QueryBond__SWIG_0() |
static long |
new_QueryBond__SWIG_1(int jarg1) |
static long |
new_QueryBond__SWIG_2(long jarg1,
Bond jarg1_) |
static long |
new_QueryBond__SWIG_3(long jarg1,
QueryBond jarg1_) |
static long |
new_RDProps__SWIG_0() |
static long |
new_RDProps__SWIG_1(long jarg1,
RDProps jarg1_) |
static long |
new_ReactionFingerprintParams__SWIG_0() |
static long |
new_ReactionFingerprintParams__SWIG_1(boolean jarg1,
double jarg2,
long jarg3,
int jarg4,
long jarg5,
int jarg6) |
static long |
new_RecursiveStructureQuery__SWIG_0() |
static long |
new_RecursiveStructureQuery__SWIG_1(long jarg1,
ROMol jarg1_,
long jarg2) |
static long |
new_RecursiveStructureQuery__SWIG_2(long jarg1,
ROMol jarg1_) |
static long |
new_ResonanceMolSupplier__SWIG_0(long jarg1,
ROMol jarg1_,
long jarg2,
long jarg3) |
static long |
new_ResonanceMolSupplier__SWIG_1(long jarg1,
ROMol jarg1_,
long jarg2) |
static long |
new_ResonanceMolSupplier__SWIG_2(long jarg1,
ROMol jarg1_) |
static long |
new_RGroupDecomposition__SWIG_0(long jarg1,
ROMol jarg1_,
long jarg2,
RGroupDecompositionParameters jarg2_) |
static long |
new_RGroupDecomposition__SWIG_1(long jarg1,
ROMol jarg1_) |
static long |
new_RGroupDecomposition__SWIG_2(long jarg1,
ROMol_Vect jarg1_,
long jarg2,
RGroupDecompositionParameters jarg2_) |
static long |
new_RGroupDecomposition__SWIG_3(long jarg1,
ROMol_Vect jarg1_) |
static long |
new_RGroupDecompositionParameters__SWIG_0(long jarg1,
long jarg2,
long jarg3,
long jarg4,
long jarg5,
boolean jarg6,
boolean jarg7,
boolean jarg8) |
static long |
new_RGroupDecompositionParameters__SWIG_1(long jarg1,
long jarg2,
long jarg3,
long jarg4,
long jarg5,
boolean jarg6,
boolean jarg7) |
static long |
new_RGroupDecompositionParameters__SWIG_2(long jarg1,
long jarg2,
long jarg3,
long jarg4,
long jarg5,
boolean jarg6) |
static long |
new_RGroupDecompositionParameters__SWIG_3(long jarg1,
long jarg2,
long jarg3,
long jarg4,
long jarg5) |
static long |
new_RGroupDecompositionParameters__SWIG_4(long jarg1,
long jarg2,
long jarg3,
long jarg4) |
static long |
new_RGroupDecompositionParameters__SWIG_5(long jarg1,
long jarg2,
long jarg3) |
static long |
new_RGroupDecompositionParameters__SWIG_6(long jarg1,
long jarg2) |
static long |
new_RGroupDecompositionParameters__SWIG_7(long jarg1) |
static long |
new_RGroupDecompositionParameters__SWIG_8() |
static long |
new_RingInfo__SWIG_0() |
static long |
new_RingInfo__SWIG_1(long jarg1,
RingInfo jarg1_) |
static long |
new_ROMol__SWIG_0() |
static long |
new_ROMol__SWIG_1(long jarg1,
ROMol jarg1_,
boolean jarg2,
int jarg3) |
static long |
new_ROMol__SWIG_2(long jarg1,
ROMol jarg1_,
boolean jarg2) |
static long |
new_ROMol__SWIG_3(long jarg1,
ROMol jarg1_) |
static long |
new_ROMol__SWIG_4(java.lang.String jarg1) |
static long |
new_ROMol_Vect__SWIG_0() |
static long |
new_ROMol_Vect__SWIG_1(long jarg1) |
static long |
new_ROMol_Vect_Vect__SWIG_0() |
static long |
new_ROMol_Vect_Vect__SWIG_1(long jarg1) |
static long |
new_RWMol__SWIG_0() |
static long |
new_RWMol__SWIG_1(long jarg1,
ROMol jarg1_,
boolean jarg2,
int jarg3) |
static long |
new_RWMol__SWIG_2(long jarg1,
ROMol jarg1_,
boolean jarg2) |
static long |
new_RWMol__SWIG_3(long jarg1,
ROMol jarg1_) |
static long |
new_RWMol__SWIG_4(long jarg1,
RWMol jarg1_) |
static long |
new_SDMolSupplier__SWIG_0() |
static long |
new_SDMolSupplier__SWIG_1(java.lang.String jarg1,
boolean jarg2,
boolean jarg3,
boolean jarg4) |
static long |
new_SDMolSupplier__SWIG_2(java.lang.String jarg1,
boolean jarg2,
boolean jarg3) |
static long |
new_SDMolSupplier__SWIG_3(java.lang.String jarg1,
boolean jarg2) |
static long |
new_SDMolSupplier__SWIG_4(java.lang.String jarg1) |
static long |
new_SDMolSupplier__SWIG_5(long jarg1,
boolean jarg2,
boolean jarg3,
boolean jarg4,
boolean jarg5) |
static long |
new_SDMolSupplier__SWIG_6(long jarg1,
boolean jarg2,
boolean jarg3,
boolean jarg4) |
static long |
new_SDMolSupplier__SWIG_7(long jarg1,
boolean jarg2,
boolean jarg3) |
static long |
new_SDMolSupplier__SWIG_8(long jarg1,
boolean jarg2) |
static long |
new_SDMolSupplier__SWIG_9(long jarg1) |
static long |
new_SDWriter__SWIG_0(java.lang.String jarg1) |
static long |
new_SDWriter__SWIG_1(long jarg1,
boolean jarg2) |
static long |
new_SDWriter__SWIG_2(long jarg1) |
static long |
new_Shared_Double_Array() |
static long |
new_Shared_Int_Array() |
static long |
new_SmilesMolSupplier__SWIG_0(java.lang.String jarg1,
java.lang.String jarg2,
int jarg3,
int jarg4,
boolean jarg5,
boolean jarg6) |
static long |
new_SmilesMolSupplier__SWIG_1(java.lang.String jarg1,
java.lang.String jarg2,
int jarg3,
int jarg4,
boolean jarg5) |
static long |
new_SmilesMolSupplier__SWIG_10(long jarg1,
boolean jarg2,
java.lang.String jarg3,
int jarg4) |
static long |
new_SmilesMolSupplier__SWIG_11(long jarg1,
boolean jarg2,
java.lang.String jarg3) |
static long |
new_SmilesMolSupplier__SWIG_12(long jarg1,
boolean jarg2) |
static long |
new_SmilesMolSupplier__SWIG_13(long jarg1) |
static long |
new_SmilesMolSupplier__SWIG_2(java.lang.String jarg1,
java.lang.String jarg2,
int jarg3,
int jarg4) |
static long |
new_SmilesMolSupplier__SWIG_3(java.lang.String jarg1,
java.lang.String jarg2,
int jarg3) |
static long |
new_SmilesMolSupplier__SWIG_4(java.lang.String jarg1,
java.lang.String jarg2) |
static long |
new_SmilesMolSupplier__SWIG_5(java.lang.String jarg1) |
static long |
new_SmilesMolSupplier__SWIG_6() |
static long |
new_SmilesMolSupplier__SWIG_7(long jarg1,
boolean jarg2,
java.lang.String jarg3,
int jarg4,
int jarg5,
boolean jarg6,
boolean jarg7) |
static long |
new_SmilesMolSupplier__SWIG_8(long jarg1,
boolean jarg2,
java.lang.String jarg3,
int jarg4,
int jarg5,
boolean jarg6) |
static long |
new_SmilesMolSupplier__SWIG_9(long jarg1,
boolean jarg2,
java.lang.String jarg3,
int jarg4,
int jarg5) |
static long |
new_SmilesParseException__SWIG_0(java.lang.String jarg1) |
static long |
new_SmilesParserParams() |
static long |
new_SmilesWriter__SWIG_0(java.lang.String jarg1,
java.lang.String jarg2,
java.lang.String jarg3,
boolean jarg4,
boolean jarg5,
boolean jarg6) |
static long |
new_SmilesWriter__SWIG_1(java.lang.String jarg1,
java.lang.String jarg2,
java.lang.String jarg3,
boolean jarg4,
boolean jarg5) |
static long |
new_SmilesWriter__SWIG_10(long jarg1,
java.lang.String jarg2,
java.lang.String jarg3) |
static long |
new_SmilesWriter__SWIG_11(long jarg1,
java.lang.String jarg2) |
static long |
new_SmilesWriter__SWIG_12(long jarg1) |
static long |
new_SmilesWriter__SWIG_2(java.lang.String jarg1,
java.lang.String jarg2,
java.lang.String jarg3,
boolean jarg4) |
static long |
new_SmilesWriter__SWIG_3(java.lang.String jarg1,
java.lang.String jarg2,
java.lang.String jarg3) |
static long |
new_SmilesWriter__SWIG_4(java.lang.String jarg1,
java.lang.String jarg2) |
static long |
new_SmilesWriter__SWIG_5(java.lang.String jarg1) |
static long |
new_SmilesWriter__SWIG_6(long jarg1,
java.lang.String jarg2,
java.lang.String jarg3,
boolean jarg4,
boolean jarg5,
boolean jarg6,
boolean jarg7) |
static long |
new_SmilesWriter__SWIG_7(long jarg1,
java.lang.String jarg2,
java.lang.String jarg3,
boolean jarg4,
boolean jarg5,
boolean jarg6) |
static long |
new_SmilesWriter__SWIG_8(long jarg1,
java.lang.String jarg2,
java.lang.String jarg3,
boolean jarg4,
boolean jarg5) |
static long |
new_SmilesWriter__SWIG_9(long jarg1,
java.lang.String jarg2,
java.lang.String jarg3,
boolean jarg4) |
static long |
new_Snapshot__SWIG_0(long jarg1,
Shared_Double_Array jarg1_,
double jarg2) |
static long |
new_Snapshot__SWIG_1(long jarg1,
Shared_Double_Array jarg1_) |
static long |
new_Snapshot__SWIG_2(long jarg1,
Double_Vect jarg1_,
double jarg2) |
static long |
new_Snapshot__SWIG_3(long jarg1,
Double_Vect jarg1_) |
static long |
new_Snapshot__SWIG_4(long jarg1,
Snapshot jarg1_) |
static long |
new_SparseIntVect32__SWIG_0() |
static long |
new_SparseIntVect32__SWIG_1(int jarg1) |
static long |
new_SparseIntVect32__SWIG_2(long jarg1,
SparseIntVect32 jarg1_) |
static long |
new_SparseIntVect32__SWIG_3(java.lang.String jarg1) |
static long |
new_SparseIntVect32__SWIG_4(java.lang.String jarg1,
long jarg2) |
static long |
new_SparseIntVect64__SWIG_0() |
static long |
new_SparseIntVect64__SWIG_1(long jarg1) |
static long |
new_SparseIntVect64__SWIG_2(long jarg1,
SparseIntVect64 jarg1_) |
static long |
new_SparseIntVect64__SWIG_3(java.lang.String jarg1) |
static long |
new_SparseIntVect64__SWIG_4(java.lang.String jarg1,
long jarg2) |
static long |
new_SparseIntVectu32__SWIG_0() |
static long |
new_SparseIntVectu32__SWIG_1(long jarg1) |
static long |
new_SparseIntVectu32__SWIG_2(long jarg1,
SparseIntVectu32 jarg1_) |
static long |
new_SparseIntVectu32__SWIG_3(java.lang.String jarg1) |
static long |
new_SparseIntVectu32__SWIG_4(java.lang.String jarg1,
long jarg2) |
static long |
new_ss_matcher__SWIG_0() |
static long |
new_ss_matcher__SWIG_1(java.lang.String jarg1) |
static long |
new_StereoGroup__SWIG_0() |
static long |
new_StereoGroup__SWIG_1(int jarg1,
long jarg2,
Atom_Vect jarg2_) |
static long |
new_StereoGroup_Vect__SWIG_0() |
static long |
new_StereoGroup_Vect__SWIG_1(long jarg1) |
static long |
new_Str_Vect__SWIG_0() |
static long |
new_Str_Vect__SWIG_1(long jarg1) |
static long |
new_String_String_Map__SWIG_0() |
static long |
new_String_String_Map__SWIG_1(long jarg1,
String_String_Map jarg1_) |
static long |
new_StringInt_Pair__SWIG_0() |
static long |
new_StringInt_Pair__SWIG_1(java.lang.String jarg1,
int jarg2) |
static long |
new_StringInt_Pair__SWIG_2(long jarg1,
StringInt_Pair jarg1_) |
static long |
new_StringMolMap__SWIG_0() |
static long |
new_StringMolMap__SWIG_1(long jarg1,
StringMolMap jarg1_) |
static long |
new_StringMolMap_Vect__SWIG_0() |
static long |
new_StringMolMap_Vect__SWIG_1(long jarg1) |
static long |
new_StringROMol_VectMap__SWIG_0() |
static long |
new_StringROMol_VectMap__SWIG_1(long jarg1,
StringROMol_VectMap jarg1_) |
static long |
new_SubstructLibrary__SWIG_0() |
static long |
new_SubstructLibrary__SWIG_1(long jarg1,
MolHolderBase jarg1_) |
static long |
new_SubstructLibrary__SWIG_2(long jarg1,
MolHolderBase jarg1_,
long jarg2,
FPHolderBase jarg2_) |
static long |
new_SubstructLibrary__SWIG_3(java.lang.String jarg1) |
static long |
new_SubstructLibrary__SWIG_4(long jarg1,
UChar_Vect jarg1_) |
static long |
new_SubstructMatchParameters() |
static long |
new_TDTMolSupplier__SWIG_0(java.lang.String jarg1,
java.lang.String jarg2,
int jarg3,
int jarg4,
boolean jarg5) |
static long |
new_TDTMolSupplier__SWIG_1(java.lang.String jarg1,
java.lang.String jarg2,
int jarg3,
int jarg4) |
static long |
new_TDTMolSupplier__SWIG_10(long jarg1) |
static long |
new_TDTMolSupplier__SWIG_11() |
static long |
new_TDTMolSupplier__SWIG_2(java.lang.String jarg1,
java.lang.String jarg2,
int jarg3) |
static long |
new_TDTMolSupplier__SWIG_3(java.lang.String jarg1,
java.lang.String jarg2) |
static long |
new_TDTMolSupplier__SWIG_4(java.lang.String jarg1) |
static long |
new_TDTMolSupplier__SWIG_5(long jarg1,
boolean jarg2,
java.lang.String jarg3,
int jarg4,
int jarg5,
boolean jarg6) |
static long |
new_TDTMolSupplier__SWIG_6(long jarg1,
boolean jarg2,
java.lang.String jarg3,
int jarg4,
int jarg5) |
static long |
new_TDTMolSupplier__SWIG_7(long jarg1,
boolean jarg2,
java.lang.String jarg3,
int jarg4) |
static long |
new_TDTMolSupplier__SWIG_8(long jarg1,
boolean jarg2,
java.lang.String jarg3) |
static long |
new_TDTMolSupplier__SWIG_9(long jarg1,
boolean jarg2) |
static long |
new_TDTWriter__SWIG_0(java.lang.String jarg1) |
static long |
new_TDTWriter__SWIG_1(long jarg1,
boolean jarg2) |
static long |
new_TDTWriter__SWIG_2(long jarg1) |
static long |
new_TorsionAngleContrib__SWIG_0() |
static long |
new_TorsionAngleContrib__SWIG_1(long jarg1,
ForceField jarg1_,
long jarg2,
long jarg3,
long jarg4,
long jarg5,
double jarg6,
int jarg7,
int jarg8,
int jarg9,
int jarg10,
long jarg11,
AtomicParams jarg11_,
long jarg12,
AtomicParams jarg12_,
boolean jarg13) |
static long |
new_TorsionAngleContrib__SWIG_2(long jarg1,
ForceField jarg1_,
long jarg2,
long jarg3,
long jarg4,
long jarg5,
double jarg6,
int jarg7,
int jarg8,
int jarg9,
int jarg10,
long jarg11,
AtomicParams jarg11_,
long jarg12,
AtomicParams jarg12_) |
static long |
new_Trajectory__SWIG_0(long jarg1,
long jarg2,
long jarg3) |
static long |
new_Trajectory__SWIG_1(long jarg1,
long jarg2) |
static long |
new_Trajectory__SWIG_2(long jarg1,
Trajectory jarg1_) |
static long |
new_Transform2D() |
static long |
new_Transform3D() |
static long |
new_UChar_Vect__SWIG_0() |
static long |
new_UChar_Vect__SWIG_1(long jarg1) |
static long |
new_UFFAngle() |
static long |
new_UFFBond() |
static long |
new_UFFInv() |
static long |
new_UFFTor() |
static long |
new_UFFVdW() |
static long |
new_UInt_List() |
static long |
new_UInt_Pair__SWIG_0() |
static long |
new_UInt_Pair__SWIG_1(long jarg1,
int jarg2) |
static long |
new_UInt_Pair__SWIG_2(long jarg1,
UInt_Pair jarg1_) |
static long |
new_UInt_Pair_Vect__SWIG_0() |
static long |
new_UInt_Pair_Vect__SWIG_1(long jarg1) |
static long |
new_UInt_Vect__SWIG_0() |
static long |
new_UInt_Vect__SWIG_1(long jarg1) |
static long |
new_UIntMolMap__SWIG_0() |
static long |
new_UIntMolMap__SWIG_1(long jarg1,
UIntMolMap jarg1_) |
static long |
new_UIntPair__SWIG_0() |
static long |
new_UIntPair__SWIG_1(long jarg1,
long jarg2) |
static long |
new_UIntPair__SWIG_2(long jarg1,
UIntPair jarg1_) |
static long |
new_UIntPairVect__SWIG_0() |
static long |
new_UIntPairVect__SWIG_1(long jarg1) |
static long |
new_ValueErrorException__SWIG_0(java.lang.String jarg1) |
static long |
new_vdWContrib__SWIG_0() |
static long |
new_vdWContrib__SWIG_1(long jarg1,
ForceField jarg1_,
long jarg2,
long jarg3,
long jarg4,
AtomicParams jarg4_,
long jarg5,
AtomicParams jarg5_,
double jarg6) |
static long |
new_vdWContrib__SWIG_2(long jarg1,
ForceField jarg1_,
long jarg2,
long jarg3,
long jarg4,
AtomicParams jarg4_,
long jarg5,
AtomicParams jarg5_) |
static int |
nextCombination(long jarg1,
Int_Vect jarg1_,
int jarg2) |
static int |
None_get() |
static int |
NonStrict_get() |
static int |
NoProps_get() |
static long |
normalize__SWIG_0(long jarg1,
RWMol jarg1_,
long jarg2,
CleanupParameters jarg2_) |
static long |
normalize__SWIG_1(long jarg1,
RWMol jarg1_) |
static void |
normalizeAngleDeg(long jarg1) |
static java.lang.String |
NullBond_get() |
static java.lang.String |
NumAliphaticCarbocyclesVersion_get() |
static java.lang.String |
NumAliphaticHeterocyclesVersion_get() |
static java.lang.String |
NumAliphaticRingsVersion_get() |
static java.lang.String |
NumAmideBondsVersion_get() |
static java.lang.String |
numArom_get() |
static java.lang.String |
NumAromaticCarbocyclesVersion_get() |
static java.lang.String |
NumAromaticHeterocyclesVersion_get() |
static java.lang.String |
NumAromaticRingsVersion_get() |
static long |
numAtomPairFingerprintBits_get() |
static long |
numAtomStereoCenters(long jarg1,
ROMol jarg1_) |
static java.lang.String |
NumAtomStereoCentersVersion_get() |
static int |
NumBitsInCommon(long jarg1,
ExplicitBitVect jarg1_,
long jarg2,
ExplicitBitVect jarg2_) |
static long |
numBranchBits_get() |
static java.lang.String |
NumBridgeheadAtomsVersion_get() |
static long |
numChiralBits_get() |
static java.lang.String |
NumHBAVersion_get() |
static java.lang.String |
NumHBDVersion_get() |
static java.lang.String |
NumHeteroatomsVersion_get() |
static java.lang.String |
NumHeterocyclesVersion_get() |
static int |
NumOnBitsInCommon(long jarg1,
ExplicitBitVect jarg1_,
long jarg2,
ExplicitBitVect jarg2_) |
static long |
numPathBits_get() |
static long |
numPiBits_get() |
static java.lang.String |
NumRingsVersion_get() |
static java.lang.String |
NumRotatableBondsVersion_get() |
static java.lang.String |
NumSaturatedCarbocyclesVersion_get() |
static java.lang.String |
NumSaturatedHeterocyclesVersion_get() |
static java.lang.String |
NumSaturatedRingsVersion_get() |
static java.lang.String |
NumSpiroAtomsVersion_get() |
static long |
numTypeBits_get() |
static long |
numUnspecifiedAtomStereoCenters(long jarg1,
ROMol jarg1_) |
static java.lang.String |
NumUnspecifiedAtomStereoCentersVersion_get() |
static long |
OffBitProjSimilarity(long jarg1,
ExplicitBitVect jarg1_,
long jarg2,
ExplicitBitVect jarg2_) |
static long |
OffBitsInCommon(long jarg1,
ExplicitBitVect jarg1_,
long jarg2,
ExplicitBitVect jarg2_) |
static long |
OnBitProjSimilarity(long jarg1,
ExplicitBitVect jarg1_,
long jarg2,
ExplicitBitVect jarg2_) |
static double |
OnBitSimilarity(long jarg1,
ExplicitBitVect jarg1_,
long jarg2,
ExplicitBitVect jarg2_) |
static long |
OnBitsInCommon(long jarg1,
ExplicitBitVect jarg1_,
long jarg2,
ExplicitBitVect jarg2_) |
static java.lang.String |
origNoImplicit_get() |
static long |
ParamCollection_get(long jarg1,
ParamCollection jarg1_,
java.lang.String jarg2) |
static long |
ParamCollection_getParams__SWIG_0(java.lang.String jarg1) |
static long |
ParamCollection_getParams__SWIG_1() |
static void |
parseAtomType(int jarg1,
long jarg2,
long jarg3) |
static void |
parseMCSParametersJSON(java.lang.String jarg1,
long jarg2) |
static void |
parseQueryDefFile__SWIG_0(java.lang.String jarg1,
long jarg2,
StringMolMap jarg2_,
boolean jarg3,
java.lang.String jarg4,
java.lang.String jarg5,
long jarg6,
long jarg7) |
static void |
parseQueryDefFile__SWIG_1(java.lang.String jarg1,
long jarg2,
StringMolMap jarg2_,
boolean jarg3,
java.lang.String jarg4,
java.lang.String jarg5,
long jarg6) |
static void |
parseQueryDefFile__SWIG_10(long jarg1,
long jarg2,
StringMolMap jarg2_,
boolean jarg3) |
static void |
parseQueryDefFile__SWIG_11(long jarg1,
long jarg2,
StringMolMap jarg2_) |
static void |
parseQueryDefFile__SWIG_2(java.lang.String jarg1,
long jarg2,
StringMolMap jarg2_,
boolean jarg3,
java.lang.String jarg4,
java.lang.String jarg5) |
static void |
parseQueryDefFile__SWIG_3(java.lang.String jarg1,
long jarg2,
StringMolMap jarg2_,
boolean jarg3,
java.lang.String jarg4) |
static void |
parseQueryDefFile__SWIG_4(java.lang.String jarg1,
long jarg2,
StringMolMap jarg2_,
boolean jarg3) |
static void |
parseQueryDefFile__SWIG_5(java.lang.String jarg1,
long jarg2,
StringMolMap jarg2_) |
static void |
parseQueryDefFile__SWIG_6(long jarg1,
long jarg2,
StringMolMap jarg2_,
boolean jarg3,
java.lang.String jarg4,
java.lang.String jarg5,
long jarg6,
long jarg7) |
static void |
parseQueryDefFile__SWIG_7(long jarg1,
long jarg2,
StringMolMap jarg2_,
boolean jarg3,
java.lang.String jarg4,
java.lang.String jarg5,
long jarg6) |
static void |
parseQueryDefFile__SWIG_8(long jarg1,
long jarg2,
StringMolMap jarg2_,
boolean jarg3,
java.lang.String jarg4,
java.lang.String jarg5) |
static void |
parseQueryDefFile__SWIG_9(long jarg1,
long jarg2,
StringMolMap jarg2_,
boolean jarg3,
java.lang.String jarg4) |
static void |
parseQueryDefText__SWIG_0(java.lang.String jarg1,
long jarg2,
StringMolMap jarg2_,
boolean jarg3,
java.lang.String jarg4,
java.lang.String jarg5,
long jarg6,
long jarg7) |
static void |
parseQueryDefText__SWIG_1(java.lang.String jarg1,
long jarg2,
StringMolMap jarg2_,
boolean jarg3,
java.lang.String jarg4,
java.lang.String jarg5,
long jarg6) |
static void |
parseQueryDefText__SWIG_2(java.lang.String jarg1,
long jarg2,
StringMolMap jarg2_,
boolean jarg3,
java.lang.String jarg4,
java.lang.String jarg5) |
static void |
parseQueryDefText__SWIG_3(java.lang.String jarg1,
long jarg2,
StringMolMap jarg2_,
boolean jarg3,
java.lang.String jarg4) |
static void |
parseQueryDefText__SWIG_4(java.lang.String jarg1,
long jarg2,
StringMolMap jarg2_,
boolean jarg3) |
static void |
parseQueryDefText__SWIG_5(java.lang.String jarg1,
long jarg2,
StringMolMap jarg2_) |
static long |
pathToSubmol__SWIG_0(long jarg1,
ROMol jarg1_,
long jarg2,
Int_Vect jarg2_,
boolean jarg3,
long jarg4,
Int_Int_Map jarg4_) |
static long |
pathToSubmol__SWIG_1(long jarg1,
ROMol jarg1_,
long jarg2,
Int_Vect jarg2_,
boolean jarg3) |
static long |
pathToSubmol__SWIG_2(long jarg1,
ROMol jarg1_,
long jarg2,
Int_Vect jarg2_) |
static long |
PatternFingerprintMol__SWIG_0(long jarg1,
ROMol jarg1_,
long jarg2,
long jarg3,
UInt_Vect jarg3_,
long jarg4,
ExplicitBitVect jarg4_) |
static long |
PatternFingerprintMol__SWIG_1(long jarg1,
ROMol jarg1_,
long jarg2,
long jarg3,
UInt_Vect jarg3_) |
static long |
PatternFingerprintMol__SWIG_2(long jarg1,
ROMol jarg1_,
long jarg2) |
static long |
PatternFingerprintMol__SWIG_3(long jarg1,
ROMol jarg1_) |
static long |
PatternHolder_makeFingerprint(long jarg1,
PatternHolder jarg1_,
long jarg2,
ROMol jarg2_) |
static long |
PatternHolder_SWIGSmartPtrUpcast(long jarg1) |
static long |
PDBBlockToMol__SWIG_0(java.lang.String jarg1,
boolean jarg2,
boolean jarg3,
long jarg4,
boolean jarg5) |
static long |
PDBBlockToMol__SWIG_1(java.lang.String jarg1,
boolean jarg2,
boolean jarg3,
long jarg4) |
static long |
PDBBlockToMol__SWIG_2(java.lang.String jarg1,
boolean jarg2,
boolean jarg3) |
static long |
PDBBlockToMol__SWIG_3(java.lang.String jarg1,
boolean jarg2) |
static long |
PDBBlockToMol__SWIG_4(java.lang.String jarg1) |
static long |
PDBDataStreamToMol__SWIG_0(long jarg1,
boolean jarg2,
boolean jarg3,
long jarg4,
boolean jarg5) |
static long |
PDBDataStreamToMol__SWIG_1(long jarg1,
boolean jarg2,
boolean jarg3,
long jarg4) |
static long |
PDBDataStreamToMol__SWIG_2(long jarg1,
boolean jarg2,
boolean jarg3) |
static long |
PDBDataStreamToMol__SWIG_3(long jarg1,
boolean jarg2) |
static long |
PDBDataStreamToMol__SWIG_4(long jarg1) |
static long |
PDBFileToMol__SWIG_0(java.lang.String jarg1,
boolean jarg2,
boolean jarg3,
long jarg4,
boolean jarg5) |
static long |
PDBFileToMol__SWIG_1(java.lang.String jarg1,
boolean jarg2,
boolean jarg3,
long jarg4) |
static long |
PDBFileToMol__SWIG_2(java.lang.String jarg1,
boolean jarg2,
boolean jarg3) |
static long |
PDBFileToMol__SWIG_3(java.lang.String jarg1,
boolean jarg2) |
static long |
PDBFileToMol__SWIG_4(java.lang.String jarg1) |
static boolean |
PDBMolSupplier_atEnd(long jarg1,
PDBMolSupplier jarg1_) |
static void |
PDBMolSupplier_init(long jarg1,
PDBMolSupplier jarg1_) |
static long |
PDBMolSupplier_next(long jarg1,
PDBMolSupplier jarg1_) |
static void |
PDBMolSupplier_reset(long jarg1,
PDBMolSupplier jarg1_) |
static long |
PDBMolSupplier_SWIGUpcast(long jarg1) |
static void |
PDBWriter_close(long jarg1,
PDBWriter jarg1_) |
static void |
PDBWriter_flush(long jarg1,
PDBWriter jarg1_) |
static long |
PDBWriter_numMols(long jarg1,
PDBWriter jarg1_) |
static void |
PDBWriter_setProps(long jarg1,
PDBWriter jarg1_,
long jarg2,
Str_Vect jarg2_) |
static long |
PDBWriter_SWIGUpcast(long jarg1) |
static void |
PDBWriter_write__SWIG_0(long jarg1,
PDBWriter jarg1_,
long jarg2,
ROMol jarg2_,
int jarg3) |
static void |
PDBWriter_write__SWIG_1(long jarg1,
PDBWriter jarg1_,
long jarg2,
ROMol jarg2_) |
static double |
PeriodicTable_getAbundanceForIsotope__SWIG_0(long jarg1,
PeriodicTable jarg1_,
long jarg2,
long jarg3) |
static double |
PeriodicTable_getAbundanceForIsotope__SWIG_1(long jarg1,
PeriodicTable jarg1_,
java.lang.String jarg2,
long jarg3) |
static int |
PeriodicTable_getAtomicNumber__SWIG_0(long jarg1,
PeriodicTable jarg1_,
java.lang.String jarg2) |
static double |
PeriodicTable_getAtomicWeight__SWIG_0(long jarg1,
PeriodicTable jarg1_,
long jarg2) |
static double |
PeriodicTable_getAtomicWeight__SWIG_1(long jarg1,
PeriodicTable jarg1_,
java.lang.String jarg2) |
static int |
PeriodicTable_getDefaultValence__SWIG_0(long jarg1,
PeriodicTable jarg1_,
long jarg2) |
static int |
PeriodicTable_getDefaultValence__SWIG_1(long jarg1,
PeriodicTable jarg1_,
java.lang.String jarg2) |
static java.lang.String |
PeriodicTable_getElementSymbol(long jarg1,
PeriodicTable jarg1_,
long jarg2) |
static double |
PeriodicTable_getMassForIsotope__SWIG_0(long jarg1,
PeriodicTable jarg1_,
long jarg2,
long jarg3) |
static double |
PeriodicTable_getMassForIsotope__SWIG_1(long jarg1,
PeriodicTable jarg1_,
java.lang.String jarg2,
long jarg3) |
static int |
PeriodicTable_getMostCommonIsotope__SWIG_0(long jarg1,
PeriodicTable jarg1_,
long jarg2) |
static int |
PeriodicTable_getMostCommonIsotope__SWIG_1(long jarg1,
PeriodicTable jarg1_,
java.lang.String jarg2) |
static double |
PeriodicTable_getMostCommonIsotopeMass__SWIG_0(long jarg1,
PeriodicTable jarg1_,
long jarg2) |
static double |
PeriodicTable_getMostCommonIsotopeMass__SWIG_1(long jarg1,
PeriodicTable jarg1_,
java.lang.String jarg2) |
static int |
PeriodicTable_getNouterElecs__SWIG_0(long jarg1,
PeriodicTable jarg1_,
long jarg2) |
static int |
PeriodicTable_getNouterElecs__SWIG_1(long jarg1,
PeriodicTable jarg1_,
java.lang.String jarg2) |
static double |
PeriodicTable_getRb0__SWIG_0(long jarg1,
PeriodicTable jarg1_,
long jarg2) |
static double |
PeriodicTable_getRb0__SWIG_1(long jarg1,
PeriodicTable jarg1_,
java.lang.String jarg2) |
static double |
PeriodicTable_getRcovalent__SWIG_0(long jarg1,
PeriodicTable jarg1_,
long jarg2) |
static double |
PeriodicTable_getRcovalent__SWIG_1(long jarg1,
PeriodicTable jarg1_,
java.lang.String jarg2) |
static double |
PeriodicTable_getRvdw__SWIG_0(long jarg1,
PeriodicTable jarg1_,
long jarg2) |
static double |
PeriodicTable_getRvdw__SWIG_1(long jarg1,
PeriodicTable jarg1_,
java.lang.String jarg2) |
static long |
PeriodicTable_getTable() |
static long |
PeriodicTable_getValenceList__SWIG_0(long jarg1,
PeriodicTable jarg1_,
long jarg2) |
static long |
PeriodicTable_getValenceList__SWIG_1(long jarg1,
PeriodicTable jarg1_,
java.lang.String jarg2) |
static boolean |
PeriodicTable_moreElectroNegative(long jarg1,
PeriodicTable jarg1_,
long jarg2,
long jarg3) |
static java.lang.String |
periodicTableAtomData_get() |
static void |
pickFusedRings__SWIG_0(int jarg1,
long jarg2,
Int_Int_Vect_Map jarg2_,
long jarg3,
Int_Vect jarg3_,
long jarg4,
int jarg5) |
static void |
pickFusedRings__SWIG_1(int jarg1,
long jarg2,
Int_Int_Vect_Map jarg2_,
long jarg3,
Int_Vect jarg3_,
long jarg4) |
static double |
pickRandomDistMat__SWIG_0(long jarg1,
BoundsMatrix jarg1_,
long jarg2,
DoubleSymmMatrix jarg2_,
int jarg3) |
static double |
pickRandomDistMat__SWIG_1(long jarg1,
BoundsMatrix jarg1_,
long jarg2,
DoubleSymmMatrix jarg2_) |
static double |
pickRandomDistMat__SWIG_2(long jarg1,
BoundsMatrix jarg1_,
long jarg2,
DoubleSymmMatrix jarg2_,
long jarg3) |
static long |
pickUsingFingerprints__SWIG_0(long jarg1,
EBV_Vect jarg1_,
long jarg2,
int jarg3,
long jarg4,
Int_Vect jarg4_,
boolean jarg5) |
static long |
pickUsingFingerprints__SWIG_1(long jarg1,
EBV_Vect jarg1_,
long jarg2,
int jarg3,
long jarg4,
Int_Vect jarg4_) |
static long |
pickUsingFingerprints__SWIG_2(long jarg1,
EBV_Vect jarg1_,
long jarg2,
int jarg3) |
static long |
pickUsingFingerprints__SWIG_3(long jarg1,
EBV_Vect jarg1_,
long jarg2) |
static long |
Point_copy(long jarg1,
Point jarg1_) |
static long |
Point_dimension(long jarg1,
Point jarg1_) |
static double |
Point_length(long jarg1,
Point jarg1_) |
static double |
Point_lengthSq(long jarg1,
Point jarg1_) |
static void |
Point_normalize(long jarg1,
Point jarg1_) |
static void |
Point_Vect_add(long jarg1,
Point_Vect jarg1_,
long jarg2,
Point jarg2_) |
static long |
Point_Vect_capacity(long jarg1,
Point_Vect jarg1_) |
static void |
Point_Vect_clear(long jarg1,
Point_Vect jarg1_) |
static boolean |
Point_Vect_equals(long jarg1,
Point_Vect jarg1_,
long jarg2,
Point_Vect jarg2_) |
static long |
Point_Vect_get(long jarg1,
Point_Vect jarg1_,
int jarg2) |
static boolean |
Point_Vect_isEmpty(long jarg1,
Point_Vect jarg1_) |
static void |
Point_Vect_reserve(long jarg1,
Point_Vect jarg1_,
long jarg2) |
static void |
Point_Vect_set(long jarg1,
Point_Vect jarg1_,
int jarg2,
long jarg3,
Point jarg3_) |
static long |
Point_Vect_size(long jarg1,
Point_Vect jarg1_) |
static double |
Point2D_angleTo(long jarg1,
Point2D jarg1_,
long jarg2,
Point2D jarg2_) |
static long |
Point2D_copy(long jarg1,
Point2D jarg1_) |
static long |
Point2D_dimension(long jarg1,
Point2D jarg1_) |
static long |
Point2D_directionVector(long jarg1,
Point2D jarg1_,
long jarg2,
Point2D jarg2_) |
static double |
Point2D_dotProduct(long jarg1,
Point2D jarg1_,
long jarg2,
Point2D jarg2_) |
static double |
Point2D_length(long jarg1,
Point2D jarg1_) |
static double |
Point2D_lengthSq(long jarg1,
Point2D jarg1_) |
static long |
Point2D_minus(long jarg1,
Point2D jarg1_,
long jarg2,
Point2D jarg2_) |
static void |
Point2D_normalize(long jarg1,
Point2D jarg1_) |
static void |
Point2D_rotate90(long jarg1,
Point2D jarg1_) |
static double |
Point2D_signedAngleTo(long jarg1,
Point2D jarg1_,
long jarg2,
Point2D jarg2_) |
static long |
Point2D_SWIGUpcast(long jarg1) |
static void |
Point2D_Vect_add(long jarg1,
Point2D_Vect jarg1_,
long jarg2,
Point2D jarg2_) |
static long |
Point2D_Vect_capacity(long jarg1,
Point2D_Vect jarg1_) |
static void |
Point2D_Vect_clear(long jarg1,
Point2D_Vect jarg1_) |
static boolean |
Point2D_Vect_equals(long jarg1,
Point2D_Vect jarg1_,
long jarg2,
Point2D_Vect jarg2_) |
static long |
Point2D_Vect_get(long jarg1,
Point2D_Vect jarg1_,
int jarg2) |
static boolean |
Point2D_Vect_isEmpty(long jarg1,
Point2D_Vect jarg1_) |
static void |
Point2D_Vect_reserve(long jarg1,
Point2D_Vect jarg1_,
long jarg2) |
static void |
Point2D_Vect_set(long jarg1,
Point2D_Vect jarg1_,
int jarg2,
long jarg3,
Point2D jarg3_) |
static long |
Point2D_Vect_size(long jarg1,
Point2D_Vect jarg1_) |
static double |
Point2D_x_get(long jarg1,
Point2D jarg1_) |
static void |
Point2D_x_set(long jarg1,
Point2D jarg1_,
double jarg2) |
static double |
Point2D_y_get(long jarg1,
Point2D jarg1_) |
static void |
Point2D_y_set(long jarg1,
Point2D jarg1_,
double jarg2) |
static double |
Point3D_angleTo(long jarg1,
Point3D jarg1_,
long jarg2,
Point3D jarg2_) |
static long |
Point3D_copy(long jarg1,
Point3D jarg1_) |
static long |
Point3D_crossProduct(long jarg1,
Point3D jarg1_,
long jarg2,
Point3D jarg2_) |
static long |
Point3D_dimension(long jarg1,
Point3D jarg1_) |
static long |
Point3D_directionVector(long jarg1,
Point3D jarg1_,
long jarg2,
Point3D jarg2_) |
static double |
Point3D_dotProduct(long jarg1,
Point3D jarg1_,
long jarg2,
Point3D jarg2_) |
static long |
Point3D_getPerpendicular(long jarg1,
Point3D jarg1_) |
static double |
Point3D_length(long jarg1,
Point3D jarg1_) |
static double |
Point3D_lengthSq(long jarg1,
Point3D jarg1_) |
static long |
Point3D_minus(long jarg1,
Point3D jarg1_,
long jarg2,
Point3D jarg2_) |
static void |
Point3D_normalize(long jarg1,
Point3D jarg1_) |
static double |
Point3D_signedAngleTo(long jarg1,
Point3D jarg1_,
long jarg2,
Point3D jarg2_) |
static long |
Point3D_SWIGUpcast(long jarg1) |
static void |
Point3D_Vect_add(long jarg1,
Point3D_Vect jarg1_,
long jarg2,
Point3D jarg2_) |
static long |
Point3D_Vect_capacity(long jarg1,
Point3D_Vect jarg1_) |
static void |
Point3D_Vect_clear(long jarg1,
Point3D_Vect jarg1_) |
static boolean |
Point3D_Vect_equals(long jarg1,
Point3D_Vect jarg1_,
long jarg2,
Point3D_Vect jarg2_) |
static long |
Point3D_Vect_get(long jarg1,
Point3D_Vect jarg1_,
int jarg2) |
static boolean |
Point3D_Vect_isEmpty(long jarg1,
Point3D_Vect jarg1_) |
static void |
Point3D_Vect_reserve(long jarg1,
Point3D_Vect jarg1_,
long jarg2) |
static void |
Point3D_Vect_set(long jarg1,
Point3D_Vect jarg1_,
int jarg2,
long jarg3,
Point3D jarg3_) |
static long |
Point3D_Vect_size(long jarg1,
Point3D_Vect jarg1_) |
static double |
Point3D_x_get(long jarg1,
Point3D jarg1_) |
static void |
Point3D_x_set(long jarg1,
Point3D jarg1_,
double jarg2) |
static double |
Point3D_y_get(long jarg1,
Point3D jarg1_) |
static void |
Point3D_y_set(long jarg1,
Point3D jarg1_,
double jarg2) |
static double |
Point3D_z_get(long jarg1,
Point3D jarg1_) |
static void |
Point3D_z_set(long jarg1,
Point3D jarg1_,
double jarg2) |
static double |
PointND_angleTo(long jarg1,
PointND jarg1_,
long jarg2,
PointND jarg2_) |
static long |
PointND_copy(long jarg1,
PointND jarg1_) |
static long |
PointND_dimension(long jarg1,
PointND jarg1_) |
static long |
PointND_directionVector(long jarg1,
PointND jarg1_,
long jarg2,
PointND jarg2_) |
static double |
PointND_dotProduct(long jarg1,
PointND jarg1_,
long jarg2,
PointND jarg2_) |
static double |
PointND_length(long jarg1,
PointND jarg1_) |
static double |
PointND_lengthSq(long jarg1,
PointND jarg1_) |
static void |
PointND_normalize(long jarg1,
PointND jarg1_) |
static long |
PointND_SWIGUpcast(long jarg1) |
static void |
prepareAndDrawMolecule__SWIG_0(long jarg1,
MolDraw2D jarg1_,
long jarg2,
ROMol jarg2_,
java.lang.String jarg3,
long jarg4,
Int_Vect jarg4_,
long jarg5,
Int_Vect jarg5_,
long jarg6,
ColourPalette jarg6_,
long jarg7,
ColourPalette jarg7_,
long jarg8,
Int_Double_Map jarg8_,
int jarg9) |
static void |
prepareAndDrawMolecule__SWIG_1(long jarg1,
MolDraw2D jarg1_,
long jarg2,
ROMol jarg2_,
java.lang.String jarg3,
long jarg4,
Int_Vect jarg4_,
long jarg5,
Int_Vect jarg5_,
long jarg6,
ColourPalette jarg6_,
long jarg7,
ColourPalette jarg7_,
long jarg8,
Int_Double_Map jarg8_) |
static void |
prepareAndDrawMolecule__SWIG_2(long jarg1,
MolDraw2D jarg1_,
long jarg2,
ROMol jarg2_,
java.lang.String jarg3,
long jarg4,
Int_Vect jarg4_,
long jarg5,
Int_Vect jarg5_,
long jarg6,
ColourPalette jarg6_,
long jarg7,
ColourPalette jarg7_) |
static void |
prepareAndDrawMolecule__SWIG_3(long jarg1,
MolDraw2D jarg1_,
long jarg2,
ROMol jarg2_,
java.lang.String jarg3,
long jarg4,
Int_Vect jarg4_,
long jarg5,
Int_Vect jarg5_,
long jarg6,
ColourPalette jarg6_) |
static void |
prepareAndDrawMolecule__SWIG_4(long jarg1,
MolDraw2D jarg1_,
long jarg2,
ROMol jarg2_,
java.lang.String jarg3,
long jarg4,
Int_Vect jarg4_,
long jarg5,
Int_Vect jarg5_) |
static void |
prepareAndDrawMolecule__SWIG_5(long jarg1,
MolDraw2D jarg1_,
long jarg2,
ROMol jarg2_,
java.lang.String jarg3,
long jarg4,
Int_Vect jarg4_) |
static void |
prepareAndDrawMolecule__SWIG_6(long jarg1,
MolDraw2D jarg1_,
long jarg2,
ROMol jarg2_,
java.lang.String jarg3) |
static void |
prepareAndDrawMolecule__SWIG_7(long jarg1,
MolDraw2D jarg1_,
long jarg2,
ROMol jarg2_) |
static void |
prepareMolForDrawing__SWIG_0(long jarg1,
RWMol jarg1_,
boolean jarg2,
boolean jarg3,
boolean jarg4,
boolean jarg5) |
static void |
prepareMolForDrawing__SWIG_1(long jarg1,
RWMol jarg1_,
boolean jarg2,
boolean jarg3,
boolean jarg4) |
static void |
prepareMolForDrawing__SWIG_2(long jarg1,
RWMol jarg1_,
boolean jarg2,
boolean jarg3) |
static void |
prepareMolForDrawing__SWIG_3(long jarg1,
RWMol jarg1_,
boolean jarg2) |
static void |
prepareMolForDrawing__SWIG_4(long jarg1,
RWMol jarg1_) |
static int |
PrivateProps_get() |
static java.lang.String |
qhelper__SWIG_0(long jarg1,
long jarg2) |
static java.lang.String |
qhelper__SWIG_1(long jarg1,
long jarg2) |
static long |
QueryAtom_copy(long jarg1,
QueryAtom jarg1_) |
static void |
QueryAtom_expandQuery__SWIG_0(long jarg1,
QueryAtom jarg1_,
long jarg2,
int jarg3,
boolean jarg4) |
static void |
QueryAtom_expandQuery__SWIG_1(long jarg1,
QueryAtom jarg1_,
long jarg2,
int jarg3) |
static void |
QueryAtom_expandQuery__SWIG_2(long jarg1,
QueryAtom jarg1_,
long jarg2) |
static long |
QueryAtom_getQuery(long jarg1,
QueryAtom jarg1_) |
static boolean |
QueryAtom_hasQuery(long jarg1,
QueryAtom jarg1_) |
static boolean |
QueryAtom_QueryMatch(long jarg1,
QueryAtom jarg1_,
long jarg2,
QueryAtom jarg2_) |
static void |
QueryAtom_setQuery(long jarg1,
QueryAtom jarg1_,
long jarg2) |
static long |
QueryAtom_SWIGSmartPtrUpcast(long jarg1) |
static int |
queryAtomAliphatic(long jarg1,
Atom jarg1_) |
static long |
queryAtomAllBondProduct(long jarg1,
Atom jarg1_) |
static int |
queryAtomAromatic(long jarg1,
Atom jarg1_) |
static long |
queryAtomBondProduct(long jarg1,
Atom jarg1_) |
static int |
QueryAtomData_get() |
static int |
queryAtomExplicitDegree(long jarg1,
Atom jarg1_) |
static int |
queryAtomExplicitValence(long jarg1,
Atom jarg1_) |
static int |
queryAtomFormalCharge(long jarg1,
Atom jarg1_) |
static int |
queryAtomHasAliphaticHeteroatomNbrs(long jarg1,
Atom jarg1_) |
static int |
queryAtomHasChiralTag(long jarg1,
Atom jarg1_) |
static int |
queryAtomHasHeteroatomNbrs(long jarg1,
Atom jarg1_) |
static int |
queryAtomHasImplicitH(long jarg1,
Atom jarg1_) |
static int |
queryAtomHasRingBond(long jarg1,
Atom jarg1_) |
static int |
queryAtomHCount(long jarg1,
Atom jarg1_) |
static int |
queryAtomHeavyAtomDegree(long jarg1,
Atom jarg1_) |
static int |
queryAtomHybridization(long jarg1,
Atom jarg1_) |
static int |
queryAtomImplicitHCount(long jarg1,
Atom jarg1_) |
static int |
queryAtomImplicitValence(long jarg1,
Atom jarg1_) |
static int |
queryAtomIsotope(long jarg1,
Atom jarg1_) |
static boolean |
QueryAtomIterator_eq(long jarg1,
QueryAtomIterator jarg1_,
long jarg2,
QueryAtomIterator jarg2_) |
static long |
QueryAtomIterator_getAtom(long jarg1,
QueryAtomIterator jarg1_) |
static boolean |
QueryAtomIterator_ne(long jarg1,
QueryAtomIterator jarg1_,
long jarg2,
QueryAtomIterator jarg2_) |
static long |
QueryAtomIterator_next__SWIG_0(long jarg1,
QueryAtomIterator jarg1_) |
static long |
QueryAtomIterator_next__SWIG_1(long jarg1,
QueryAtomIterator jarg1_,
int jarg2) |
static long |
QueryAtomIterator_prev__SWIG_0(long jarg1,
QueryAtomIterator jarg1_) |
static long |
QueryAtomIterator_prev__SWIG_1(long jarg1,
QueryAtomIterator jarg1_,
int jarg2) |
static int |
queryAtomMass(long jarg1,
Atom jarg1_) |
static int |
queryAtomMinRingSize(long jarg1,
Atom jarg1_) |
static int |
queryAtomMissingChiralTag(long jarg1,
Atom jarg1_) |
static int |
queryAtomNegativeFormalCharge(long jarg1,
Atom jarg1_) |
static int |
queryAtomNonHydrogenDegree(long jarg1,
Atom jarg1_) |
static int |
queryAtomNum(long jarg1,
Atom jarg1_) |
static int |
queryAtomNumAliphaticHeteroatomNbrs(long jarg1,
Atom jarg1_) |
static int |
queryAtomNumHeteroatomNbrs(long jarg1,
Atom jarg1_) |
static int |
queryAtomNumRadicalElectrons(long jarg1,
Atom jarg1_) |
static int |
queryAtomRingBondCount(long jarg1,
Atom jarg1_) |
static int |
queryAtomRingMembership(long jarg1,
Atom jarg1_) |
static int |
queryAtomTotalDegree(long jarg1,
Atom jarg1_) |
static int |
queryAtomTotalValence(long jarg1,
Atom jarg1_) |
static int |
queryAtomType(long jarg1,
Atom jarg1_) |
static int |
queryAtomUnsaturated(long jarg1,
Atom jarg1_) |
static long |
QueryBond_copy(long jarg1,
QueryBond jarg1_) |
static void |
QueryBond_expandQuery__SWIG_0(long jarg1,
QueryBond jarg1_,
long jarg2,
int jarg3,
boolean jarg4) |
static void |
QueryBond_expandQuery__SWIG_1(long jarg1,
QueryBond jarg1_,
long jarg2,
int jarg3) |
static void |
QueryBond_expandQuery__SWIG_2(long jarg1,
QueryBond jarg1_,
long jarg2) |
static long |
QueryBond_getQuery(long jarg1,
QueryBond jarg1_) |
static boolean |
QueryBond_hasQuery(long jarg1,
QueryBond jarg1_) |
static boolean |
QueryBond_QueryMatch(long jarg1,
QueryBond jarg1_,
long jarg2,
QueryBond jarg2_) |
static void |
QueryBond_setBondDir(long jarg1,
QueryBond jarg1_,
int jarg2) |
static void |
QueryBond_setBondType(long jarg1,
QueryBond jarg1_,
int jarg2) |
static void |
QueryBond_setQuery(long jarg1,
QueryBond jarg1_,
long jarg2) |
static long |
QueryBond_SWIGSmartPtrUpcast(long jarg1) |
static int |
queryBondDir(long jarg1,
Bond jarg1_) |
static int |
queryBondHasStereo(long jarg1,
Bond jarg1_) |
static int |
queryBondIsSingleOrAromatic(long jarg1,
Bond jarg1_) |
static int |
queryBondMinRingSize(long jarg1,
Bond jarg1_) |
static int |
queryBondOrder(long jarg1,
Bond jarg1_) |
static int |
queryIsAtomInNRings(long jarg1,
Atom jarg1_) |
static int |
queryIsAtomInRing(long jarg1,
Atom jarg1_) |
static int |
queryIsBondInNRings(long jarg1,
Bond jarg1_) |
static int |
queryIsBondInRing(long jarg1,
Bond jarg1_) |
static double |
RAD2DEG_get() |
static long |
RDKFingerprintMol__SWIG_0(long jarg1,
ROMol jarg1_,
long jarg2,
long jarg3,
long jarg4,
long jarg5,
boolean jarg6,
double jarg7,
long jarg8,
boolean jarg9,
boolean jarg10,
long jarg11,
UInt_Vect jarg11_,
long jarg12,
UInt_Vect jarg12_,
long jarg13,
long jarg14) |
static long |
RDKFingerprintMol__SWIG_1(long jarg1,
ROMol jarg1_,
long jarg2,
long jarg3,
long jarg4,
long jarg5,
boolean jarg6,
double jarg7,
long jarg8,
boolean jarg9,
boolean jarg10,
long jarg11,
UInt_Vect jarg11_,
long jarg12,
UInt_Vect jarg12_,
long jarg13) |
static long |
RDKFingerprintMol__SWIG_10(long jarg1,
ROMol jarg1_,
long jarg2,
long jarg3,
long jarg4) |
static long |
RDKFingerprintMol__SWIG_11(long jarg1,
ROMol jarg1_,
long jarg2,
long jarg3) |
static long |
RDKFingerprintMol__SWIG_12(long jarg1,
ROMol jarg1_,
long jarg2) |
static long |
RDKFingerprintMol__SWIG_13(long jarg1,
ROMol jarg1_) |
static long |
RDKFingerprintMol__SWIG_2(long jarg1,
ROMol jarg1_,
long jarg2,
long jarg3,
long jarg4,
long jarg5,
boolean jarg6,
double jarg7,
long jarg8,
boolean jarg9,
boolean jarg10,
long jarg11,
UInt_Vect jarg11_,
long jarg12,
UInt_Vect jarg12_) |
static long |
RDKFingerprintMol__SWIG_3(long jarg1,
ROMol jarg1_,
long jarg2,
long jarg3,
long jarg4,
long jarg5,
boolean jarg6,
double jarg7,
long jarg8,
boolean jarg9,
boolean jarg10,
long jarg11,
UInt_Vect jarg11_) |
static long |
RDKFingerprintMol__SWIG_4(long jarg1,
ROMol jarg1_,
long jarg2,
long jarg3,
long jarg4,
long jarg5,
boolean jarg6,
double jarg7,
long jarg8,
boolean jarg9,
boolean jarg10) |
static long |
RDKFingerprintMol__SWIG_5(long jarg1,
ROMol jarg1_,
long jarg2,
long jarg3,
long jarg4,
long jarg5,
boolean jarg6,
double jarg7,
long jarg8,
boolean jarg9) |
static long |
RDKFingerprintMol__SWIG_6(long jarg1,
ROMol jarg1_,
long jarg2,
long jarg3,
long jarg4,
long jarg5,
boolean jarg6,
double jarg7,
long jarg8) |
static long |
RDKFingerprintMol__SWIG_7(long jarg1,
ROMol jarg1_,
long jarg2,
long jarg3,
long jarg4,
long jarg5,
boolean jarg6,
double jarg7) |
static long |
RDKFingerprintMol__SWIG_8(long jarg1,
ROMol jarg1_,
long jarg2,
long jarg3,
long jarg4,
long jarg5,
boolean jarg6) |
static long |
RDKFingerprintMol__SWIG_9(long jarg1,
ROMol jarg1_,
long jarg2,
long jarg3,
long jarg4,
long jarg5) |
static java.lang.String |
RDKFingerprintMolVersion_get() |
static int |
RDKIT_VERSION_get() |
static java.lang.String |
rdkitBuild_get() |
static void |
rdkitBuild_set(java.lang.String jarg1) |
static long |
RDKitSVGToMol__SWIG_0(java.lang.String jarg1,
boolean jarg2,
boolean jarg3) |
static long |
RDKitSVGToMol__SWIG_1(java.lang.String jarg1,
boolean jarg2) |
static long |
RDKitSVGToMol__SWIG_2(java.lang.String jarg1) |
static long |
RDKitSVGToMol__SWIG_3(long jarg1,
boolean jarg2,
boolean jarg3) |
static long |
RDKitSVGToMol__SWIG_4(long jarg1,
boolean jarg2) |
static long |
RDKitSVGToMol__SWIG_5(long jarg1) |
static java.lang.String |
rdkitVersion_get() |
static void |
rdkitVersion_set(java.lang.String jarg1) |
static void |
RDProps_clear(long jarg1,
RDProps jarg1_) |
static void |
RDProps_clearComputedProps(long jarg1,
RDProps jarg1_) |
static void |
RDProps_clearProp(long jarg1,
RDProps jarg1_,
java.lang.String jarg2) |
static long |
RDProps_getDict__SWIG_0(long jarg1,
RDProps jarg1_) |
static long |
RDProps_getPropList__SWIG_0(long jarg1,
RDProps jarg1_,
boolean jarg2,
boolean jarg3) |
static long |
RDProps_getPropList__SWIG_1(long jarg1,
RDProps jarg1_,
boolean jarg2) |
static long |
RDProps_getPropList__SWIG_2(long jarg1,
RDProps jarg1_) |
static boolean |
RDProps_hasProp(long jarg1,
RDProps jarg1_,
java.lang.String jarg2) |
static void |
RDProps_setProp__SWIG_2(long jarg1,
RDProps jarg1_,
java.lang.String jarg2,
java.lang.String jarg3,
boolean jarg4) |
static void |
RDProps_setProp__SWIG_3(long jarg1,
RDProps jarg1_,
java.lang.String jarg2,
java.lang.String jarg3) |
static void |
RDProps_updateProps__SWIG_0(long jarg1,
RDProps jarg1_,
long jarg2,
RDProps jarg2_,
boolean jarg3) |
static void |
RDProps_updateProps__SWIG_1(long jarg1,
RDProps jarg1_,
long jarg2,
RDProps jarg2_) |
static java.lang.String |
reactantAtomIdx_get() |
static int |
ReactionFingerprintParams_agentWeight_get(long jarg1,
ReactionFingerprintParams jarg1_) |
static void |
ReactionFingerprintParams_agentWeight_set(long jarg1,
ReactionFingerprintParams jarg1_,
int jarg2) |
static double |
ReactionFingerprintParams_bitRatioAgents_get(long jarg1,
ReactionFingerprintParams jarg1_) |
static void |
ReactionFingerprintParams_bitRatioAgents_set(long jarg1,
ReactionFingerprintParams jarg1_,
double jarg2) |
static long |
ReactionFingerprintParams_fpSize_get(long jarg1,
ReactionFingerprintParams jarg1_) |
static void |
ReactionFingerprintParams_fpSize_set(long jarg1,
ReactionFingerprintParams jarg1_,
long jarg2) |
static int |
ReactionFingerprintParams_fpType_get(long jarg1,
ReactionFingerprintParams jarg1_) |
static void |
ReactionFingerprintParams_fpType_set(long jarg1,
ReactionFingerprintParams jarg1_,
int jarg2) |
static boolean |
ReactionFingerprintParams_includeAgents_get(long jarg1,
ReactionFingerprintParams jarg1_) |
static void |
ReactionFingerprintParams_includeAgents_set(long jarg1,
ReactionFingerprintParams jarg1_,
boolean jarg2) |
static long |
ReactionFingerprintParams_nonAgentWeight_get(long jarg1,
ReactionFingerprintParams jarg1_) |
static void |
ReactionFingerprintParams_nonAgentWeight_set(long jarg1,
ReactionFingerprintParams jarg1_,
long jarg2) |
static java.lang.String |
reactionMapNum_get() |
static long |
readAmberTrajectory(java.lang.String jarg1,
long jarg2,
Trajectory jarg2_) |
static long |
readGromosTrajectory(java.lang.String jarg1,
long jarg2,
Trajectory jarg2_) |
static long |
RecursiveStructureQuery_copy(long jarg1,
RecursiveStructureQuery jarg1_) |
static int |
RecursiveStructureQuery_getAtIdx(long jarg1,
Atom jarg1_) |
static long |
RecursiveStructureQuery_getQueryMol(long jarg1,
RecursiveStructureQuery jarg1_) |
static long |
RecursiveStructureQuery_getSerialNumber(long jarg1,
RecursiveStructureQuery jarg1_) |
static void |
RecursiveStructureQuery_setQueryMol(long jarg1,
RecursiveStructureQuery jarg1_,
long jarg2,
ROMol jarg2_) |
static void |
registerDescriptors() |
static long |
reionize__SWIG_0(long jarg1,
RWMol jarg1_,
long jarg2,
CleanupParameters jarg2_) |
static long |
reionize__SWIG_1(long jarg1,
RWMol jarg1_) |
static int |
RelabelDuplicateLabels_get() |
static void |
removeGroupsWithAtom(long jarg1,
Atom jarg1_,
long jarg2,
StereoGroup_Vect jarg2_) |
static void |
removeGroupsWithAtoms(long jarg1,
Atom_Vect jarg1_,
long jarg2,
StereoGroup_Vect jarg2_) |
static long |
removeHs__SWIG_0(long jarg1,
ROMol jarg1_,
boolean jarg2,
boolean jarg3,
boolean jarg4) |
static long |
removeHs__SWIG_1(long jarg1,
ROMol jarg1_,
boolean jarg2,
boolean jarg3) |
static long |
removeHs__SWIG_2(long jarg1,
ROMol jarg1_,
boolean jarg2) |
static long |
removeHs__SWIG_3(long jarg1,
ROMol jarg1_) |
static void |
removeHs__SWIG_4(long jarg1,
RWMol jarg1_,
boolean jarg2,
boolean jarg3,
boolean jarg4) |
static void |
removeHs__SWIG_5(long jarg1,
RWMol jarg1_,
boolean jarg2,
boolean jarg3) |
static void |
removeHs__SWIG_6(long jarg1,
RWMol jarg1_,
boolean jarg2) |
static void |
removeHs__SWIG_7(long jarg1,
RWMol jarg1_) |
static void |
removeStereochemistry(long jarg1,
ROMol jarg1_) |
static long |
renumberAtoms(long jarg1,
ROMol jarg1_,
long jarg2,
UInt_Vect jarg2_) |
static long |
replaceCore__SWIG_0(long jarg1,
ROMol jarg1_,
long jarg2,
ROMol jarg2_,
long jarg3,
Match_Vect jarg3_,
boolean jarg4,
boolean jarg5,
boolean jarg6) |
static long |
replaceCore__SWIG_1(long jarg1,
ROMol jarg1_,
long jarg2,
ROMol jarg2_,
long jarg3,
Match_Vect jarg3_,
boolean jarg4,
boolean jarg5) |
static long |
replaceCore__SWIG_2(long jarg1,
ROMol jarg1_,
long jarg2,
ROMol jarg2_,
long jarg3,
Match_Vect jarg3_,
boolean jarg4) |
static long |
replaceCore__SWIG_3(long jarg1,
ROMol jarg1_,
long jarg2,
ROMol jarg2_,
long jarg3,
Match_Vect jarg3_) |
static long |
replaceCore__SWIG_4(long jarg1,
ROMol jarg1_,
long jarg2,
ROMol jarg2_,
boolean jarg3,
boolean jarg4,
boolean jarg5,
boolean jarg6) |
static long |
replaceCore__SWIG_5(long jarg1,
ROMol jarg1_,
long jarg2,
ROMol jarg2_,
boolean jarg3,
boolean jarg4,
boolean jarg5) |
static long |
replaceCore__SWIG_6(long jarg1,
ROMol jarg1_,
long jarg2,
ROMol jarg2_,
boolean jarg3,
boolean jarg4) |
static long |
replaceCore__SWIG_7(long jarg1,
ROMol jarg1_,
long jarg2,
ROMol jarg2_,
boolean jarg3) |
static long |
replaceCore__SWIG_8(long jarg1,
ROMol jarg1_,
long jarg2,
ROMol jarg2_) |
static long |
replaceSidechains__SWIG_0(long jarg1,
ROMol jarg1_,
long jarg2,
ROMol jarg2_,
boolean jarg3) |
static long |
replaceSidechains__SWIG_1(long jarg1,
ROMol jarg1_,
long jarg2,
ROMol jarg2_) |
static long |
replaceSubstructs__SWIG_0(long jarg1,
ROMol jarg1_,
long jarg2,
ROMol jarg2_,
long jarg3,
ROMol jarg3_,
boolean jarg4,
long jarg5,
boolean jarg6) |
static long |
replaceSubstructs__SWIG_1(long jarg1,
ROMol jarg1_,
long jarg2,
ROMol jarg2_,
long jarg3,
ROMol jarg3_,
boolean jarg4,
long jarg5) |
static long |
replaceSubstructs__SWIG_2(long jarg1,
ROMol jarg1_,
long jarg2,
ROMol jarg2_,
long jarg3,
ROMol jarg3_,
boolean jarg4) |
static long |
replaceSubstructs__SWIG_3(long jarg1,
ROMol jarg1_,
long jarg2,
ROMol jarg2_,
long jarg3,
ROMol jarg3_) |
static int |
ResonanceMolSupplier_ALLOW_CHARGE_SEPARATION_get() |
static int |
ResonanceMolSupplier_ALLOW_INCOMPLETE_OCTETS_get() |
static boolean |
ResonanceMolSupplier_atEnd(long jarg1,
ResonanceMolSupplier jarg1_) |
static void |
ResonanceMolSupplier_enumerate(long jarg1,
ResonanceMolSupplier jarg1_) |
static long |
ResonanceMolSupplier_flags(long jarg1,
ResonanceMolSupplier jarg1_) |
static int |
ResonanceMolSupplier_getAtomConjGrpIdx(long jarg1,
ResonanceMolSupplier jarg1_,
long jarg2) |
static int |
ResonanceMolSupplier_getBondConjGrpIdx(long jarg1,
ResonanceMolSupplier jarg1_,
long jarg2) |
static boolean |
ResonanceMolSupplier_getIsEnumerated(long jarg1,
ResonanceMolSupplier jarg1_) |
static long |
ResonanceMolSupplier_getNumConjGrps(long jarg1,
ResonanceMolSupplier jarg1_) |
static long |
ResonanceMolSupplier_getSubstructMatches__SWIG_0(long jarg1,
ResonanceMolSupplier jarg1_,
long jarg2,
ROMol jarg2_,
boolean jarg3,
boolean jarg4,
int jarg5) |
static long |
ResonanceMolSupplier_getSubstructMatches__SWIG_1(long jarg1,
ResonanceMolSupplier jarg1_,
long jarg2,
ROMol jarg2_,
boolean jarg3,
boolean jarg4) |
static long |
ResonanceMolSupplier_getSubstructMatches__SWIG_2(long jarg1,
ResonanceMolSupplier jarg1_,
long jarg2,
ROMol jarg2_,
boolean jarg3) |
static long |
ResonanceMolSupplier_getSubstructMatches__SWIG_3(long jarg1,
ResonanceMolSupplier jarg1_,
long jarg2,
ROMol jarg2_) |
static int |
ResonanceMolSupplier_KEKULE_ALL_get() |
static long |
ResonanceMolSupplier_length(long jarg1,
ResonanceMolSupplier jarg1_) |
static long |
ResonanceMolSupplier_mol(long jarg1,
ResonanceMolSupplier jarg1_) |
static void |
ResonanceMolSupplier_moveTo(long jarg1,
ResonanceMolSupplier jarg1_,
long jarg2) |
static long |
ResonanceMolSupplier_next(long jarg1,
ResonanceMolSupplier jarg1_) |
static void |
ResonanceMolSupplier_reset(long jarg1,
ResonanceMolSupplier jarg1_) |
static void |
ResonanceMolSupplier_setNumThreads__SWIG_0(long jarg1,
ResonanceMolSupplier jarg1_,
int jarg2) |
static void |
ResonanceMolSupplier_setNumThreads__SWIG_1(long jarg1,
ResonanceMolSupplier jarg1_) |
static int |
ResonanceMolSupplier_UNCONSTRAINED_ANIONS_get() |
static int |
ResonanceMolSupplier_UNCONSTRAINED_CATIONS_get() |
static long |
RGroupDecompose__SWIG_0(long jarg1,
ROMol_Vect jarg1_,
long jarg2,
ROMol_Vect jarg2_,
long jarg3,
StringMolMap_Vect jarg3_,
long jarg4,
UInt_Vect jarg4_,
long jarg5,
RGroupDecompositionParameters jarg5_) |
static long |
RGroupDecompose__SWIG_1(long jarg1,
ROMol_Vect jarg1_,
long jarg2,
ROMol_Vect jarg2_,
long jarg3,
StringMolMap_Vect jarg3_,
long jarg4,
UInt_Vect jarg4_) |
static long |
RGroupDecompose__SWIG_2(long jarg1,
ROMol_Vect jarg1_,
long jarg2,
ROMol_Vect jarg2_,
long jarg3,
StringMolMap_Vect jarg3_) |
static long |
RGroupDecompose__SWIG_3(long jarg1,
ROMol_Vect jarg1_,
long jarg2,
ROMol_Vect jarg2_,
long jarg3,
StringROMol_VectMap jarg3_,
long jarg4,
UInt_Vect jarg4_,
long jarg5,
RGroupDecompositionParameters jarg5_) |
static long |
RGroupDecompose__SWIG_4(long jarg1,
ROMol_Vect jarg1_,
long jarg2,
ROMol_Vect jarg2_,
long jarg3,
StringROMol_VectMap jarg3_,
long jarg4,
UInt_Vect jarg4_) |
static long |
RGroupDecompose__SWIG_5(long jarg1,
ROMol_Vect jarg1_,
long jarg2,
ROMol_Vect jarg2_,
long jarg3,
StringROMol_VectMap jarg3_) |
static int |
RGroupDecomposition_add(long jarg1,
RGroupDecomposition jarg1_,
long jarg2,
ROMol jarg2_) |
static long |
RGroupDecomposition_getRGroupLabels(long jarg1,
RGroupDecomposition jarg1_) |
static long |
RGroupDecomposition_getRGroupsAsColumns(long jarg1,
RGroupDecomposition jarg1_) |
static long |
RGroupDecomposition_getRGroupsAsRows(long jarg1,
RGroupDecomposition jarg1_) |
static boolean |
RGroupDecomposition_process(long jarg1,
RGroupDecomposition jarg1_) |
static long |
RGroupDecompositionParameters_alignment_get(long jarg1,
RGroupDecompositionParameters jarg1_) |
static void |
RGroupDecompositionParameters_alignment_set(long jarg1,
RGroupDecompositionParameters jarg1_,
long jarg2) |
static long |
RGroupDecompositionParameters_autoGetLabels(long jarg1,
RGroupDecompositionParameters jarg1_,
long jarg2,
RWMol jarg2_) |
static long |
RGroupDecompositionParameters_chunkSize_get(long jarg1,
RGroupDecompositionParameters jarg1_) |
static void |
RGroupDecompositionParameters_chunkSize_set(long jarg1,
RGroupDecompositionParameters jarg1_,
long jarg2) |
static long |
RGroupDecompositionParameters_labels_get(long jarg1,
RGroupDecompositionParameters jarg1_) |
static void |
RGroupDecompositionParameters_labels_set(long jarg1,
RGroupDecompositionParameters jarg1_,
long jarg2) |
static long |
RGroupDecompositionParameters_matchingStrategy_get(long jarg1,
RGroupDecompositionParameters jarg1_) |
static void |
RGroupDecompositionParameters_matchingStrategy_set(long jarg1,
RGroupDecompositionParameters jarg1_,
long jarg2) |
static boolean |
RGroupDecompositionParameters_onlyMatchAtRGroups_get(long jarg1,
RGroupDecompositionParameters jarg1_) |
static void |
RGroupDecompositionParameters_onlyMatchAtRGroups_set(long jarg1,
RGroupDecompositionParameters jarg1_,
boolean jarg2) |
static boolean |
RGroupDecompositionParameters_prepareCore(long jarg1,
RGroupDecompositionParameters jarg1_,
long jarg2,
RWMol jarg2_,
long jarg3,
RWMol jarg3_) |
static boolean |
RGroupDecompositionParameters_removeAllHydrogenRGroups_get(long jarg1,
RGroupDecompositionParameters jarg1_) |
static void |
RGroupDecompositionParameters_removeAllHydrogenRGroups_set(long jarg1,
RGroupDecompositionParameters jarg1_,
boolean jarg2) |
static boolean |
RGroupDecompositionParameters_removeHydrogensPostMatch_get(long jarg1,
RGroupDecompositionParameters jarg1_) |
static void |
RGroupDecompositionParameters_removeHydrogensPostMatch_set(long jarg1,
RGroupDecompositionParameters jarg1_,
boolean jarg2) |
static long |
RGroupDecompositionParameters_rgroupLabelling_get(long jarg1,
RGroupDecompositionParameters jarg1_) |
static void |
RGroupDecompositionParameters_rgroupLabelling_set(long jarg1,
RGroupDecompositionParameters jarg1_,
long jarg2) |
static long |
RingInfo_addRing(long jarg1,
RingInfo jarg1_,
long jarg2,
Int_Vect jarg2_,
long jarg3,
Int_Vect jarg3_) |
static long |
RingInfo_atomRings(long jarg1,
RingInfo jarg1_) |
static long |
RingInfo_bondRings(long jarg1,
RingInfo jarg1_) |
static void |
RingInfo_initialize(long jarg1,
RingInfo jarg1_) |
static boolean |
RingInfo_isAtomInRingOfSize(long jarg1,
RingInfo jarg1_,
long jarg2,
long jarg3) |
static boolean |
RingInfo_isBondInRingOfSize(long jarg1,
RingInfo jarg1_,
long jarg2,
long jarg3) |
static boolean |
RingInfo_isInitialized(long jarg1,
RingInfo jarg1_) |
static long |
RingInfo_minAtomRingSize(long jarg1,
RingInfo jarg1_,
long jarg2) |
static long |
RingInfo_minBondRingSize(long jarg1,
RingInfo jarg1_,
long jarg2) |
static long |
RingInfo_numAtomRings(long jarg1,
RingInfo jarg1_,
long jarg2) |
static long |
RingInfo_numBondRings(long jarg1,
RingInfo jarg1_,
long jarg2) |
static long |
RingInfo_numRings(long jarg1,
RingInfo jarg1_) |
static void |
RingInfo_reset(long jarg1,
RingInfo jarg1_) |
static java.lang.String |
ringMembership_get() |
static long |
ROMol_addConformer__SWIG_0(long jarg1,
ROMol jarg1_,
long jarg2,
Conformer jarg2_,
boolean jarg3) |
static long |
ROMol_addConformer__SWIG_1(long jarg1,
ROMol jarg1_,
long jarg2,
Conformer jarg2_) |
static long |
ROMol_addHs__SWIG_0(long jarg1,
ROMol jarg1_,
boolean jarg2,
boolean jarg3) |
static long |
ROMol_addHs__SWIG_1(long jarg1,
ROMol jarg1_,
boolean jarg2) |
static double |
ROMol_alignMol__SWIG_0(long jarg1,
ROMol jarg1_,
long jarg2,
ROMol jarg2_,
int jarg3,
int jarg4,
long jarg5,
Match_Vect jarg5_,
long jarg6,
boolean jarg7,
long jarg8) |
static double |
ROMol_alignMol__SWIG_1(long jarg1,
ROMol jarg1_,
long jarg2,
ROMol jarg2_,
int jarg3,
int jarg4,
long jarg5,
Match_Vect jarg5_,
long jarg6,
boolean jarg7) |
static double |
ROMol_alignMol__SWIG_2(long jarg1,
ROMol jarg1_,
long jarg2,
ROMol jarg2_,
int jarg3,
int jarg4,
long jarg5,
Match_Vect jarg5_,
long jarg6) |
static double |
ROMol_alignMol__SWIG_3(long jarg1,
ROMol jarg1_,
long jarg2,
ROMol jarg2_,
int jarg3,
int jarg4,
long jarg5,
Match_Vect jarg5_) |
static double |
ROMol_alignMol__SWIG_4(long jarg1,
ROMol jarg1_,
long jarg2,
ROMol jarg2_,
int jarg3,
int jarg4) |
static double |
ROMol_alignMol__SWIG_5(long jarg1,
ROMol jarg1_,
long jarg2,
ROMol jarg2_,
int jarg3) |
static double |
ROMol_alignMol__SWIG_6(long jarg1,
ROMol jarg1_,
long jarg2,
ROMol jarg2_) |
static void |
ROMol_alignMolConformers__SWIG_0(long jarg1,
ROMol jarg1_,
long jarg2,
ROMol jarg2_,
long jarg3,
UInt_Vect jarg3_,
long jarg4,
UInt_Vect jarg4_,
long jarg5,
boolean jarg6,
long jarg7) |
static void |
ROMol_alignMolConformers__SWIG_1(long jarg1,
ROMol jarg1_,
long jarg2,
ROMol jarg2_,
long jarg3,
UInt_Vect jarg3_,
long jarg4,
UInt_Vect jarg4_,
long jarg5,
boolean jarg6) |
static void |
ROMol_alignMolConformers__SWIG_2(long jarg1,
ROMol jarg1_,
long jarg2,
ROMol jarg2_,
long jarg3,
UInt_Vect jarg3_,
long jarg4,
UInt_Vect jarg4_,
long jarg5) |
static void |
ROMol_alignMolConformers__SWIG_3(long jarg1,
ROMol jarg1_,
long jarg2,
ROMol jarg2_,
long jarg3,
UInt_Vect jarg3_,
long jarg4,
UInt_Vect jarg4_) |
static void |
ROMol_alignMolConformers__SWIG_4(long jarg1,
ROMol jarg1_,
long jarg2,
ROMol jarg2_,
long jarg3,
UInt_Vect jarg3_) |
static void |
ROMol_alignMolConformers__SWIG_5(long jarg1,
ROMol jarg1_,
long jarg2,
ROMol jarg2_) |
static long |
ROMol_atoms__SWIG_0(long jarg1,
ROMol jarg1_) |
static long |
ROMol_beginAromaticAtoms__SWIG_0(long jarg1,
ROMol jarg1_) |
static long |
ROMol_beginAtoms__SWIG_0(long jarg1,
ROMol jarg1_) |
static long |
ROMol_beginBonds__SWIG_0(long jarg1,
ROMol jarg1_) |
static long |
ROMol_beginConformers__SWIG_0(long jarg1,
ROMol jarg1_) |
static long |
ROMol_beginHeteros__SWIG_0(long jarg1,
ROMol jarg1_) |
static long |
ROMol_beginMatchingAtoms__SWIG_0(long jarg1,
ROMol jarg1_,
long jarg2) |
static long |
ROMol_beginMatchingAtoms__SWIG_1(long jarg1,
ROMol jarg1_,
long jarg2) |
static long |
ROMol_beginQueryAtoms__SWIG_0(long jarg1,
ROMol jarg1_,
long jarg2,
QueryAtom jarg2_) |
static long |
ROMol_bonds__SWIG_0(long jarg1,
ROMol jarg1_) |
static void |
ROMol_canonicalizeMol__SWIG_0(long jarg1,
ROMol jarg1_,
boolean jarg2,
boolean jarg3) |
static void |
ROMol_canonicalizeMol__SWIG_1(long jarg1,
ROMol jarg1_,
boolean jarg2) |
static void |
ROMol_canonicalizeMol__SWIG_2(long jarg1,
ROMol jarg1_) |
static void |
ROMol_clearAllAtomBookmarks(long jarg1,
ROMol jarg1_) |
static void |
ROMol_clearAllBondBookmarks(long jarg1,
ROMol jarg1_) |
static void |
ROMol_clearAtomBookmark__SWIG_0(long jarg1,
ROMol jarg1_,
int jarg2) |
static void |
ROMol_clearAtomBookmark__SWIG_1(long jarg1,
ROMol jarg1_,
int jarg2,
long jarg3,
Atom jarg3_) |
static void |
ROMol_clearBondBookmark__SWIG_0(long jarg1,
ROMol jarg1_,
int jarg2) |
static void |
ROMol_clearBondBookmark__SWIG_1(long jarg1,
ROMol jarg1_,
int jarg2,
long jarg3,
Bond jarg3_) |
static void |
ROMol_clearComputedProps__SWIG_0(long jarg1,
ROMol jarg1_,
boolean jarg2) |
static void |
ROMol_clearComputedProps__SWIG_1(long jarg1,
ROMol jarg1_) |
static void |
ROMol_clearConformers(long jarg1,
ROMol jarg1_) |
static void |
ROMol_ClearSingleBondDirFlags(long jarg1,
ROMol jarg1_) |
static long |
ROMol_compute2DCoords__SWIG_0(long jarg1,
ROMol jarg1_,
long jarg2,
Int_Point2D_Map jarg2_,
boolean jarg3,
boolean jarg4,
long jarg5,
long jarg6,
int jarg7,
boolean jarg8,
boolean jarg9) |
static long |
ROMol_compute2DCoords__SWIG_1(long jarg1,
ROMol jarg1_,
long jarg2,
Int_Point2D_Map jarg2_,
boolean jarg3,
boolean jarg4,
long jarg5,
long jarg6,
int jarg7,
boolean jarg8) |
static long |
ROMol_compute2DCoords__SWIG_2(long jarg1,
ROMol jarg1_,
long jarg2,
Int_Point2D_Map jarg2_,
boolean jarg3,
boolean jarg4,
long jarg5,
long jarg6,
int jarg7) |
static long |
ROMol_compute2DCoords__SWIG_3(long jarg1,
ROMol jarg1_,
long jarg2,
Int_Point2D_Map jarg2_,
boolean jarg3,
boolean jarg4,
long jarg5,
long jarg6) |
static long |
ROMol_compute2DCoords__SWIG_4(long jarg1,
ROMol jarg1_,
long jarg2,
Int_Point2D_Map jarg2_,
boolean jarg3,
boolean jarg4,
long jarg5) |
static long |
ROMol_compute2DCoords__SWIG_5(long jarg1,
ROMol jarg1_,
long jarg2,
Int_Point2D_Map jarg2_,
boolean jarg3,
boolean jarg4) |
static long |
ROMol_compute2DCoords__SWIG_6(long jarg1,
ROMol jarg1_,
long jarg2,
Int_Point2D_Map jarg2_,
boolean jarg3) |
static long |
ROMol_compute2DCoords__SWIG_7(long jarg1,
ROMol jarg1_,
long jarg2,
Int_Point2D_Map jarg2_) |
static long |
ROMol_compute2DCoords__SWIG_8(long jarg1,
ROMol jarg1_) |
static long |
ROMol_compute2DCoords__SWIG_9(long jarg1,
ROMol jarg1_,
long jarg2,
ROMol jarg2_) |
static long |
ROMol_compute2DCoordsMimicDistMat__SWIG_0(long jarg1,
ROMol jarg1_,
long jarg2,
boolean jarg3,
boolean jarg4,
double jarg5,
long jarg6,
long jarg7,
int jarg8,
boolean jarg9,
boolean jarg10) |
static long |
ROMol_compute2DCoordsMimicDistMat__SWIG_1(long jarg1,
ROMol jarg1_,
long jarg2,
boolean jarg3,
boolean jarg4,
double jarg5,
long jarg6,
long jarg7,
int jarg8,
boolean jarg9) |
static long |
ROMol_compute2DCoordsMimicDistMat__SWIG_2(long jarg1,
ROMol jarg1_,
long jarg2,
boolean jarg3,
boolean jarg4,
double jarg5,
long jarg6,
long jarg7,
int jarg8) |
static long |
ROMol_compute2DCoordsMimicDistMat__SWIG_3(long jarg1,
ROMol jarg1_,
long jarg2,
boolean jarg3,
boolean jarg4,
double jarg5,
long jarg6,
long jarg7) |
static long |
ROMol_compute2DCoordsMimicDistMat__SWIG_4(long jarg1,
ROMol jarg1_,
long jarg2,
boolean jarg3,
boolean jarg4,
double jarg5,
long jarg6) |
static long |
ROMol_compute2DCoordsMimicDistMat__SWIG_5(long jarg1,
ROMol jarg1_,
long jarg2,
boolean jarg3,
boolean jarg4,
double jarg5) |
static long |
ROMol_compute2DCoordsMimicDistMat__SWIG_6(long jarg1,
ROMol jarg1_,
long jarg2,
boolean jarg3,
boolean jarg4) |
static long |
ROMol_compute2DCoordsMimicDistMat__SWIG_7(long jarg1,
ROMol jarg1_,
long jarg2,
boolean jarg3) |
static long |
ROMol_compute2DCoordsMimicDistMat__SWIG_8(long jarg1,
ROMol jarg1_,
long jarg2) |
static long |
ROMol_compute2DCoordsMimicDistMat__SWIG_9(long jarg1,
ROMol jarg1_) |
static void |
ROMol_computeGasteigerCharges__SWIG_0(long jarg1,
ROMol jarg1_,
long jarg2,
ROMol jarg2_,
int jarg3,
boolean jarg4) |
static void |
ROMol_computeGasteigerCharges__SWIG_1(long jarg1,
ROMol jarg1_,
long jarg2,
ROMol jarg2_,
int jarg3) |
static void |
ROMol_computeGasteigerCharges__SWIG_2(long jarg1,
ROMol jarg1_,
long jarg2,
ROMol jarg2_) |
static void |
ROMol_computeGasteigerCharges__SWIG_3(long jarg1,
ROMol jarg1_,
long jarg2,
ROMol jarg2_,
long jarg3,
Double_Vect jarg3_,
int jarg4,
boolean jarg5) |
static void |
ROMol_computeGasteigerCharges__SWIG_4(long jarg1,
ROMol jarg1_,
long jarg2,
ROMol jarg2_,
long jarg3,
Double_Vect jarg3_,
int jarg4) |
static void |
ROMol_computeGasteigerCharges__SWIG_5(long jarg1,
ROMol jarg1_,
long jarg2,
ROMol jarg2_,
long jarg3,
Double_Vect jarg3_) |
static void |
ROMol_debugMol(long jarg1,
ROMol jarg1_,
long jarg2) |
static long |
ROMol_deleteSubstructs(long jarg1,
ROMol jarg1_,
long jarg2,
ROMol jarg2_,
boolean jarg3) |
static void |
ROMol_DetectBondStereoChemistry(long jarg1,
ROMol jarg1_,
long jarg2,
Conformer jarg2_) |
static long |
ROMol_endAromaticAtoms__SWIG_0(long jarg1,
ROMol jarg1_) |
static long |
ROMol_endAtoms__SWIG_0(long jarg1,
ROMol jarg1_) |
static long |
ROMol_endBonds__SWIG_0(long jarg1,
ROMol jarg1_) |
static long |
ROMol_endConformers__SWIG_0(long jarg1,
ROMol jarg1_) |
static long |
ROMol_endHeteros__SWIG_0(long jarg1,
ROMol jarg1_) |
static long |
ROMol_endMatchingAtoms__SWIG_0(long jarg1,
ROMol jarg1_) |
static long |
ROMol_endQueryAtoms__SWIG_0(long jarg1,
ROMol jarg1_) |
static int |
ROMol_findSSSR__SWIG_0(long jarg1,
ROMol jarg1_,
long jarg2,
Int_Vect_Vect jarg2_) |
static int |
ROMol_findSSSR__SWIG_1(long jarg1,
ROMol jarg1_) |
static void |
ROMol_generateDepictionMatching2DStructure__SWIG_0(long jarg1,
ROMol jarg1_,
long jarg2,
ROMol jarg2_,
int jarg3,
boolean jarg4,
boolean jarg5) |
static void |
ROMol_generateDepictionMatching2DStructure__SWIG_1(long jarg1,
ROMol jarg1_,
long jarg2,
ROMol jarg2_,
int jarg3,
boolean jarg4) |
static void |
ROMol_generateDepictionMatching2DStructure__SWIG_2(long jarg1,
ROMol jarg1_,
long jarg2,
ROMol jarg2_,
int jarg3) |
static void |
ROMol_generateDepictionMatching2DStructure__SWIG_3(long jarg1,
ROMol jarg1_,
long jarg2,
ROMol jarg2_) |
static void |
ROMol_generateDepictionMatching2DStructure__SWIG_4(long jarg1,
ROMol jarg1_,
long jarg2,
ROMol jarg2_,
int jarg3,
long jarg4,
ROMol jarg4_,
boolean jarg5,
boolean jarg6) |
static void |
ROMol_generateDepictionMatching2DStructure__SWIG_5(long jarg1,
ROMol jarg1_,
long jarg2,
ROMol jarg2_,
int jarg3,
long jarg4,
ROMol jarg4_,
boolean jarg5) |
static void |
ROMol_generateDepictionMatching2DStructure__SWIG_6(long jarg1,
ROMol jarg1_,
long jarg2,
ROMol jarg2_,
int jarg3,
long jarg4,
ROMol jarg4_) |
static long |
ROMol_getAdjacencyMatrix__SWIG_0(long jarg1,
ROMol jarg1_,
boolean jarg2,
int jarg3,
boolean jarg4,
java.lang.String jarg5) |
static long |
ROMol_getAdjacencyMatrix__SWIG_1(long jarg1,
ROMol jarg1_,
boolean jarg2,
int jarg3,
boolean jarg4) |
static long |
ROMol_getAdjacencyMatrix__SWIG_2(long jarg1,
ROMol jarg1_,
boolean jarg2,
int jarg3) |
static long |
ROMol_getAdjacencyMatrix__SWIG_3(long jarg1,
ROMol jarg1_,
boolean jarg2) |
static long |
ROMol_getAdjacencyMatrix__SWIG_4(long jarg1,
ROMol jarg1_) |
static double |
ROMol_getAlignmentTransform__SWIG_0(long jarg1,
ROMol jarg1_,
long jarg2,
ROMol jarg2_,
long jarg3,
Transform3D jarg3_,
int jarg4,
int jarg5,
long jarg6,
Match_Vect jarg6_,
long jarg7,
boolean jarg8,
long jarg9) |
static double |
ROMol_getAlignmentTransform__SWIG_1(long jarg1,
ROMol jarg1_,
long jarg2,
ROMol jarg2_,
long jarg3,
Transform3D jarg3_,
int jarg4,
int jarg5,
long jarg6,
Match_Vect jarg6_,
long jarg7,
boolean jarg8) |
static double |
ROMol_getAlignmentTransform__SWIG_2(long jarg1,
ROMol jarg1_,
long jarg2,
ROMol jarg2_,
long jarg3,
Transform3D jarg3_,
int jarg4,
int jarg5,
long jarg6,
Match_Vect jarg6_,
long jarg7) |
static double |
ROMol_getAlignmentTransform__SWIG_3(long jarg1,
ROMol jarg1_,
long jarg2,
ROMol jarg2_,
long jarg3,
Transform3D jarg3_,
int jarg4,
int jarg5,
long jarg6,
Match_Vect jarg6_) |
static double |
ROMol_getAlignmentTransform__SWIG_4(long jarg1,
ROMol jarg1_,
long jarg2,
ROMol jarg2_,
long jarg3,
Transform3D jarg3_,
int jarg4,
int jarg5) |
static double |
ROMol_getAlignmentTransform__SWIG_5(long jarg1,
ROMol jarg1_,
long jarg2,
ROMol jarg2_,
long jarg3,
Transform3D jarg3_,
int jarg4) |
static double |
ROMol_getAlignmentTransform__SWIG_6(long jarg1,
ROMol jarg1_,
long jarg2,
ROMol jarg2_,
long jarg3,
Transform3D jarg3_) |
static long |
ROMol_getAllAtomsWithBookmark(long jarg1,
ROMol jarg1_,
int jarg2) |
static long |
ROMol_getAllBondsWithBookmark(long jarg1,
ROMol jarg1_,
int jarg2) |
static long |
ROMol_getAtomBonds(long jarg1,
ROMol jarg1_,
long jarg2,
Atom jarg2_) |
static long |
ROMol_getAtomBookmarks(long jarg1,
ROMol jarg1_) |
static long |
ROMol_getAtomDegree(long jarg1,
ROMol jarg1_,
long jarg2,
Atom jarg2_) |
static long |
ROMol_getAtomNeighbors(long jarg1,
ROMol jarg1_,
long jarg2,
Atom jarg2_) |
static long |
ROMol_getAtoms(long jarg1,
ROMol jarg1_) |
static long |
ROMol_getAtomWithBookmark(long jarg1,
ROMol jarg1_,
int jarg2) |
static long |
ROMol_getAtomWithIdx(long jarg1,
ROMol jarg1_,
long jarg2) |
static long |
ROMol_getBondBetweenAtoms(long jarg1,
ROMol jarg1_,
long jarg2,
long jarg3) |
static long |
ROMol_getBondBookmarks(long jarg1,
ROMol jarg1_) |
static long |
ROMol_getBondWithBookmark(long jarg1,
ROMol jarg1_,
int jarg2) |
static long |
ROMol_getBondWithIdx(long jarg1,
ROMol jarg1_,
long jarg2) |
static long |
ROMol_getConformer__SWIG_0(long jarg1,
ROMol jarg1_,
int jarg2) |
static long |
ROMol_getConformer__SWIG_1(long jarg1,
ROMol jarg1_) |
static long |
ROMol_getDistanceMat__SWIG_0(long jarg1,
ROMol jarg1_,
boolean jarg2,
boolean jarg3,
boolean jarg4,
java.lang.String jarg5) |
static long |
ROMol_getDistanceMat__SWIG_1(long jarg1,
ROMol jarg1_,
boolean jarg2,
boolean jarg3,
boolean jarg4) |
static long |
ROMol_getDistanceMat__SWIG_2(long jarg1,
ROMol jarg1_,
boolean jarg2,
boolean jarg3) |
static long |
ROMol_getDistanceMat__SWIG_3(long jarg1,
ROMol jarg1_,
boolean jarg2) |
static long |
ROMol_getDistanceMat__SWIG_4(long jarg1,
ROMol jarg1_) |
static long |
ROMol_getDistanceMat__SWIG_5(long jarg1,
ROMol jarg1_,
long jarg2,
Int_Vect jarg2_,
long jarg3,
boolean jarg4,
boolean jarg5) |
static long |
ROMol_getDistanceMat__SWIG_6(long jarg1,
ROMol jarg1_,
long jarg2,
Int_Vect jarg2_,
long jarg3,
boolean jarg4) |
static long |
ROMol_getDistanceMat__SWIG_7(long jarg1,
ROMol jarg1_,
long jarg2,
Int_Vect jarg2_,
long jarg3) |
static long |
ROMol_getNumAtoms__SWIG_0(long jarg1,
ROMol jarg1_,
boolean jarg2) |
static long |
ROMol_getNumAtoms__SWIG_1(long jarg1,
ROMol jarg1_) |
static long |
ROMol_getNumBonds__SWIG_0(long jarg1,
ROMol jarg1_,
boolean jarg2) |
static long |
ROMol_getNumBonds__SWIG_1(long jarg1,
ROMol jarg1_) |
static long |
ROMol_getNumConformers(long jarg1,
ROMol jarg1_) |
static long |
ROMol_getNumHeavyAtoms(long jarg1,
ROMol jarg1_) |
static java.lang.String |
ROMol_getProp(long jarg1,
ROMol jarg1_,
java.lang.String jarg2) |
static long |
ROMol_getRingInfo(long jarg1,
ROMol jarg1_) |
static long |
ROMol_getShortestPath(long jarg1,
ROMol jarg1_,
int jarg2,
int jarg3) |
static long |
ROMol_getStereoGroups(long jarg1,
ROMol jarg1_) |
static long |
ROMol_getSubstructMatch__SWIG_0(long jarg1,
ROMol jarg1_,
long jarg2,
ROMol jarg2_,
long jarg3,
SubstructMatchParameters jarg3_) |
static long |
ROMol_getSubstructMatch__SWIG_1(long jarg1,
ROMol jarg1_,
long jarg2,
ROMol jarg2_,
boolean jarg3) |
static long |
ROMol_getSubstructMatch__SWIG_2(long jarg1,
ROMol jarg1_,
long jarg2,
ROMol jarg2_) |
static long |
ROMol_getSubstructMatches__SWIG_0(long jarg1,
ROMol jarg1_,
long jarg2,
ROMol jarg2_,
long jarg3,
SubstructMatchParameters jarg3_) |
static long |
ROMol_getSubstructMatches__SWIG_1(long jarg1,
ROMol jarg1_,
long jarg2,
ROMol jarg2_,
boolean jarg3,
boolean jarg4) |
static long |
ROMol_getSubstructMatches__SWIG_2(long jarg1,
ROMol jarg1_,
long jarg2,
ROMol jarg2_,
boolean jarg3) |
static long |
ROMol_getSubstructMatches__SWIG_3(long jarg1,
ROMol jarg1_,
long jarg2,
ROMol jarg2_) |
static long |
ROMol_getUniqueAtomWithBookmark(long jarg1,
ROMol jarg1_,
int jarg2) |
static long |
ROMol_getUniqueBondWithBookmark(long jarg1,
ROMol jarg1_,
int jarg2) |
static boolean |
ROMol_hasAtomBookmark(long jarg1,
ROMol jarg1_,
int jarg2) |
static boolean |
ROMol_hasBondBookmark(long jarg1,
ROMol jarg1_,
int jarg2) |
static boolean |
ROMol_hasSubstructMatch__SWIG_0(long jarg1,
ROMol jarg1_,
long jarg2,
ROMol jarg2_,
boolean jarg3) |
static boolean |
ROMol_hasSubstructMatch__SWIG_1(long jarg1,
ROMol jarg1_,
long jarg2,
ROMol jarg2_) |
static boolean |
ROMol_hasSubstructMatch__SWIG_2(long jarg1,
ROMol jarg1_,
long jarg2,
ROMol jarg2_,
long jarg3,
SubstructMatchParameters jarg3_) |
static long |
ROMol_mergeQueryHs(long jarg1,
ROMol jarg1_) |
static long |
ROMol_MolFromBinary(long jarg1,
Int_Vect jarg1_) |
static java.lang.String |
ROMol_MolToFASTA(long jarg1,
ROMol jarg1_) |
static java.lang.String |
ROMol_MolToHELM(long jarg1,
ROMol jarg1_) |
static java.lang.String |
ROMol_MolToMolBlock__SWIG_0(long jarg1,
ROMol jarg1_,
boolean jarg2,
int jarg3) |
static java.lang.String |
ROMol_MolToMolBlock__SWIG_1(long jarg1,
ROMol jarg1_,
boolean jarg2) |
static java.lang.String |
ROMol_MolToMolBlock__SWIG_2(long jarg1,
ROMol jarg1_) |
static void |
ROMol_MolToMolFile__SWIG_0(long jarg1,
ROMol jarg1_,
java.lang.String jarg2,
boolean jarg3,
int jarg4,
boolean jarg5) |
static void |
ROMol_MolToMolFile__SWIG_1(long jarg1,
ROMol jarg1_,
java.lang.String jarg2,
boolean jarg3,
int jarg4) |
static void |
ROMol_MolToMolFile__SWIG_2(long jarg1,
ROMol jarg1_,
java.lang.String jarg2,
boolean jarg3) |
static void |
ROMol_MolToMolFile__SWIG_3(long jarg1,
ROMol jarg1_,
java.lang.String jarg2) |
static java.lang.String |
ROMol_MolToPDBBlock__SWIG_0(long jarg1,
ROMol jarg1_,
int jarg2,
long jarg3) |
static java.lang.String |
ROMol_MolToPDBBlock__SWIG_1(long jarg1,
ROMol jarg1_,
int jarg2) |
static java.lang.String |
ROMol_MolToPDBBlock__SWIG_2(long jarg1,
ROMol jarg1_) |
static void |
ROMol_MolToPDBFile__SWIG_0(long jarg1,
ROMol jarg1_,
java.lang.String jarg2,
int jarg3,
long jarg4) |
static void |
ROMol_MolToPDBFile__SWIG_1(long jarg1,
ROMol jarg1_,
java.lang.String jarg2,
int jarg3) |
static void |
ROMol_MolToPDBFile__SWIG_2(long jarg1,
ROMol jarg1_,
java.lang.String jarg2) |
static java.lang.String |
ROMol_MolToSequence(long jarg1,
ROMol jarg1_) |
static java.lang.String |
ROMol_MolToSmiles__SWIG_0(long jarg1,
ROMol jarg1_,
boolean jarg2,
boolean jarg3,
int jarg4) |
static java.lang.String |
ROMol_MolToSmiles__SWIG_1(long jarg1,
ROMol jarg1_,
boolean jarg2,
boolean jarg3) |
static java.lang.String |
ROMol_MolToSmiles__SWIG_2(long jarg1,
ROMol jarg1_,
boolean jarg2) |
static java.lang.String |
ROMol_MolToSmiles__SWIG_3(long jarg1,
ROMol jarg1_) |
static void |
ROMol_MolToTPLFile__SWIG_0(long jarg1,
ROMol jarg1_,
java.lang.String jarg2,
java.lang.String jarg3,
boolean jarg4) |
static void |
ROMol_MolToTPLFile__SWIG_1(long jarg1,
ROMol jarg1_,
java.lang.String jarg2,
java.lang.String jarg3) |
static void |
ROMol_MolToTPLFile__SWIG_2(long jarg1,
ROMol jarg1_,
java.lang.String jarg2) |
static java.lang.String |
ROMol_MolToTPLText__SWIG_0(long jarg1,
ROMol jarg1_,
java.lang.String jarg2,
boolean jarg3) |
static java.lang.String |
ROMol_MolToTPLText__SWIG_1(long jarg1,
ROMol jarg1_,
java.lang.String jarg2) |
static java.lang.String |
ROMol_MolToTPLText__SWIG_2(long jarg1,
ROMol jarg1_) |
static java.lang.String |
ROMol_MolToXYZBlock__SWIG_0(long jarg1,
ROMol jarg1_,
int jarg2) |
static java.lang.String |
ROMol_MolToXYZBlock__SWIG_1(long jarg1,
ROMol jarg1_) |
static void |
ROMol_MolToXYZFile__SWIG_0(long jarg1,
ROMol jarg1_,
java.lang.String jarg2,
int jarg3) |
static void |
ROMol_MolToXYZFile__SWIG_1(long jarg1,
ROMol jarg1_,
java.lang.String jarg2) |
static boolean |
ROMol_needsUpdatePropertyCache(long jarg1,
ROMol jarg1_) |
static long |
ROMol_O3AAlignMol__SWIG_0(long jarg1,
ROMol jarg1_,
long jarg2,
ROMol jarg2_,
int jarg3,
int jarg4,
boolean jarg5,
long jarg6,
long jarg7) |
static long |
ROMol_O3AAlignMol__SWIG_1(long jarg1,
ROMol jarg1_,
long jarg2,
ROMol jarg2_,
int jarg3,
int jarg4,
boolean jarg5,
long jarg6) |
static long |
ROMol_O3AAlignMol__SWIG_2(long jarg1,
ROMol jarg1_,
long jarg2,
ROMol jarg2_,
int jarg3,
int jarg4,
boolean jarg5) |
static long |
ROMol_O3AAlignMol__SWIG_3(long jarg1,
ROMol jarg1_,
long jarg2,
ROMol jarg2_,
int jarg3,
int jarg4) |
static long |
ROMol_O3AAlignMol__SWIG_4(long jarg1,
ROMol jarg1_,
long jarg2,
ROMol jarg2_,
int jarg3) |
static long |
ROMol_O3AAlignMol__SWIG_5(long jarg1,
ROMol jarg1_,
long jarg2,
ROMol jarg2_) |
static void |
ROMol_pickBondsToWedge(long jarg1,
ROMol jarg1_) |
static void |
ROMol_rankMolAtoms__SWIG_0(long jarg1,
ROMol jarg1_,
long jarg2,
UInt_Vect jarg2_,
boolean jarg3,
boolean jarg4,
boolean jarg5) |
static void |
ROMol_rankMolAtoms__SWIG_1(long jarg1,
ROMol jarg1_,
long jarg2,
UInt_Vect jarg2_,
boolean jarg3,
boolean jarg4) |
static void |
ROMol_rankMolAtoms__SWIG_2(long jarg1,
ROMol jarg1_,
long jarg2,
UInt_Vect jarg2_,
boolean jarg3) |
static void |
ROMol_rankMolAtoms__SWIG_3(long jarg1,
ROMol jarg1_,
long jarg2,
UInt_Vect jarg2_) |
static void |
ROMol_removeConformer(long jarg1,
ROMol jarg1_,
long jarg2) |
static long |
ROMol_removeHs__SWIG_0(long jarg1,
ROMol jarg1_,
boolean jarg2,
boolean jarg3,
boolean jarg4) |
static long |
ROMol_removeHs__SWIG_1(long jarg1,
ROMol jarg1_,
boolean jarg2,
boolean jarg3) |
static long |
ROMol_removeHs__SWIG_2(long jarg1,
ROMol jarg1_,
boolean jarg2) |
static void |
ROMol_replaceAtomBookmark(long jarg1,
ROMol jarg1_,
long jarg2,
Atom jarg2_,
int jarg3) |
static long |
ROMol_replaceCore__SWIG_0(long jarg1,
ROMol jarg1_,
long jarg2,
ROMol jarg2_,
boolean jarg3,
boolean jarg4) |
static long |
ROMol_replaceCore__SWIG_1(long jarg1,
ROMol jarg1_,
long jarg2,
ROMol jarg2_,
boolean jarg3) |
static long |
ROMol_replaceCore__SWIG_2(long jarg1,
ROMol jarg1_,
long jarg2,
ROMol jarg2_) |
static long |
ROMol_replaceSidechains(long jarg1,
ROMol jarg1_,
long jarg2,
ROMol jarg2_) |
static long |
ROMol_replaceSubstructs__SWIG_0(long jarg1,
ROMol jarg1_,
long jarg2,
ROMol jarg2_,
long jarg3,
ROMol jarg3_,
boolean jarg4) |
static long |
ROMol_replaceSubstructs__SWIG_1(long jarg1,
ROMol jarg1_,
long jarg2,
ROMol jarg2_,
long jarg3,
ROMol jarg3_) |
static void |
ROMol_setAtomBookmark(long jarg1,
ROMol jarg1_,
long jarg2,
Atom jarg2_,
int jarg3) |
static void |
ROMol_setBondBookmark(long jarg1,
ROMol jarg1_,
long jarg2,
Bond jarg2_,
int jarg3) |
static void |
ROMol_setConjugation(long jarg1,
ROMol jarg1_) |
static void |
ROMol_setHybridization(long jarg1,
ROMol jarg1_) |
static long |
ROMol_SWIGSmartPtrUpcast(long jarg1) |
static int |
ROMol_symmetrizeSSSR__SWIG_0(long jarg1,
ROMol jarg1_,
long jarg2,
Int_Vect_Vect jarg2_) |
static int |
ROMol_symmetrizeSSSR__SWIG_1(long jarg1,
ROMol jarg1_) |
static long |
ROMol_ToBinary(long jarg1,
ROMol jarg1_) |
static java.lang.String |
ROMol_ToSVG__SWIG_0(long jarg1,
ROMol jarg1_,
long jarg2,
Int_Vect jarg2_,
int jarg3,
int jarg4) |
static java.lang.String |
ROMol_ToSVG__SWIG_1(long jarg1,
ROMol jarg1_,
long jarg2,
Int_Vect jarg2_,
int jarg3) |
static java.lang.String |
ROMol_ToSVG__SWIG_2(long jarg1,
ROMol jarg1_,
long jarg2,
Int_Vect jarg2_) |
static java.lang.String |
ROMol_ToSVG__SWIG_3(long jarg1,
ROMol jarg1_,
int jarg2,
int jarg3) |
static java.lang.String |
ROMol_ToSVG__SWIG_4(long jarg1,
ROMol jarg1_,
int jarg2) |
static java.lang.String |
ROMol_ToSVG__SWIG_5(long jarg1,
ROMol jarg1_) |
static void |
ROMol_transformMolsAtoms(long jarg1,
ROMol jarg1_,
long jarg2,
Transform3D jarg2_) |
static void |
ROMol_updatePropertyCache__SWIG_0(long jarg1,
ROMol jarg1_,
boolean jarg2) |
static void |
ROMol_updatePropertyCache__SWIG_1(long jarg1,
ROMol jarg1_) |
static void |
ROMol_Vect_add(long jarg1,
ROMol_Vect jarg1_,
long jarg2,
ROMol jarg2_) |
static long |
ROMol_Vect_capacity(long jarg1,
ROMol_Vect jarg1_) |
static void |
ROMol_Vect_clear(long jarg1,
ROMol_Vect jarg1_) |
static boolean |
ROMol_Vect_equals(long jarg1,
ROMol_Vect jarg1_,
long jarg2,
ROMol_Vect jarg2_) |
static long |
ROMol_Vect_get(long jarg1,
ROMol_Vect jarg1_,
int jarg2) |
static boolean |
ROMol_Vect_isEmpty(long jarg1,
ROMol_Vect jarg1_) |
static void |
ROMol_Vect_reserve(long jarg1,
ROMol_Vect jarg1_,
long jarg2) |
static void |
ROMol_Vect_set(long jarg1,
ROMol_Vect jarg1_,
int jarg2,
long jarg3,
ROMol jarg3_) |
static long |
ROMol_Vect_size(long jarg1,
ROMol_Vect jarg1_) |
static void |
ROMol_Vect_Vect_add(long jarg1,
ROMol_Vect_Vect jarg1_,
long jarg2,
ROMol_Vect jarg2_) |
static long |
ROMol_Vect_Vect_capacity(long jarg1,
ROMol_Vect_Vect jarg1_) |
static void |
ROMol_Vect_Vect_clear(long jarg1,
ROMol_Vect_Vect jarg1_) |
static boolean |
ROMol_Vect_Vect_equals(long jarg1,
ROMol_Vect_Vect jarg1_,
long jarg2,
ROMol_Vect_Vect jarg2_) |
static long |
ROMol_Vect_Vect_get(long jarg1,
ROMol_Vect_Vect jarg1_,
int jarg2) |
static boolean |
ROMol_Vect_Vect_isEmpty(long jarg1,
ROMol_Vect_Vect jarg1_) |
static void |
ROMol_Vect_Vect_reserve(long jarg1,
ROMol_Vect_Vect jarg1_,
long jarg2) |
static void |
ROMol_Vect_Vect_set(long jarg1,
ROMol_Vect_Vect jarg1_,
int jarg2,
long jarg3,
ROMol_Vect jarg3_) |
static long |
ROMol_Vect_Vect_size(long jarg1,
ROMol_Vect_Vect jarg1_) |
static void |
ROMol_WedgeMolBonds(long jarg1,
ROMol jarg1_,
long jarg2,
Conformer jarg2_) |
static double |
round(double jarg1) |
static long |
RunFilterCatalog__SWIG_0(long jarg1,
FilterCatalog jarg1_,
long jarg2,
Str_Vect jarg2_,
int jarg3) |
static long |
RunFilterCatalog__SWIG_1(long jarg1,
FilterCatalog jarg1_,
long jarg2,
Str_Vect jarg2_) |
static double |
RusselSimilarity(long jarg1,
ExplicitBitVect jarg1_,
long jarg2,
ExplicitBitVect jarg2_) |
static long |
RWMol_addAtom__SWIG_0(long jarg1,
RWMol jarg1_,
boolean jarg2) |
static long |
RWMol_addAtom__SWIG_1(long jarg1,
RWMol jarg1_) |
static long |
RWMol_addAtom__SWIG_2(long jarg1,
RWMol jarg1_,
long jarg2,
Atom jarg2_,
boolean jarg3) |
static long |
RWMol_addAtom__SWIG_3(long jarg1,
RWMol jarg1_,
long jarg2,
Atom jarg2_) |
static long |
RWMol_addBond__SWIG_0(long jarg1,
RWMol jarg1_,
long jarg2,
long jarg3,
int jarg4) |
static long |
RWMol_addBond__SWIG_1(long jarg1,
RWMol jarg1_,
long jarg2,
long jarg3) |
static long |
RWMol_addBond__SWIG_2(long jarg1,
RWMol jarg1_,
long jarg2,
Atom jarg2_,
long jarg3,
Atom jarg3_,
int jarg4) |
static long |
RWMol_addBond__SWIG_3(long jarg1,
RWMol jarg1_,
long jarg2,
Atom jarg2_,
long jarg3,
Atom jarg3_) |
static long |
RWMol_addBond__SWIG_4(long jarg1,
RWMol jarg1_,
long jarg2,
Bond jarg2_) |
static void |
RWMol_clear(long jarg1,
RWMol jarg1_) |
static long |
RWMol_createPartialBond__SWIG_0(long jarg1,
RWMol jarg1_,
long jarg2,
int jarg3) |
static long |
RWMol_createPartialBond__SWIG_1(long jarg1,
RWMol jarg1_,
long jarg2) |
static void |
RWMol_DetectAtomStereoChemistry(long jarg1,
RWMol jarg1_,
long jarg2,
Conformer jarg2_) |
static long |
RWMol_finishPartialBond__SWIG_0(long jarg1,
RWMol jarg1_,
long jarg2,
int jarg3,
int jarg4) |
static long |
RWMol_finishPartialBond__SWIG_1(long jarg1,
RWMol jarg1_,
long jarg2,
int jarg3) |
static long |
RWMol_getActiveAtom(long jarg1,
RWMol jarg1_) |
static long |
RWMol_getLastAtom(long jarg1,
RWMol jarg1_) |
static void |
RWMol_insertMol(long jarg1,
RWMol jarg1_,
long jarg2,
ROMol jarg2_) |
static void |
RWMol_Kekulize__SWIG_0(long jarg1,
RWMol jarg1_,
boolean jarg2,
long jarg3) |
static void |
RWMol_Kekulize__SWIG_1(long jarg1,
RWMol jarg1_,
boolean jarg2) |
static void |
RWMol_Kekulize__SWIG_2(long jarg1,
RWMol jarg1_) |
static long |
RWMol_MolFromFASTA__SWIG_0(java.lang.String jarg1,
boolean jarg2,
int jarg3) |
static long |
RWMol_MolFromFASTA__SWIG_1(java.lang.String jarg1,
boolean jarg2) |
static long |
RWMol_MolFromFASTA__SWIG_2(java.lang.String jarg1) |
static long |
RWMol_MolFromHELM__SWIG_0(java.lang.String jarg1,
boolean jarg2) |
static long |
RWMol_MolFromHELM__SWIG_1(java.lang.String jarg1) |
static long |
RWMol_MolFromMol2Block__SWIG_0(java.lang.String jarg1,
boolean jarg2,
boolean jarg3,
int jarg4,
boolean jarg5) |
static long |
RWMol_MolFromMol2Block__SWIG_1(java.lang.String jarg1,
boolean jarg2,
boolean jarg3,
int jarg4) |
static long |
RWMol_MolFromMol2Block__SWIG_2(java.lang.String jarg1,
boolean jarg2,
boolean jarg3) |
static long |
RWMol_MolFromMol2Block__SWIG_3(java.lang.String jarg1,
boolean jarg2) |
static long |
RWMol_MolFromMol2Block__SWIG_4(java.lang.String jarg1) |
static long |
RWMol_MolFromMol2File__SWIG_0(java.lang.String jarg1,
boolean jarg2,
boolean jarg3,
int jarg4,
boolean jarg5) |
static long |
RWMol_MolFromMol2File__SWIG_1(java.lang.String jarg1,
boolean jarg2,
boolean jarg3,
int jarg4) |
static long |
RWMol_MolFromMol2File__SWIG_2(java.lang.String jarg1,
boolean jarg2,
boolean jarg3) |
static long |
RWMol_MolFromMol2File__SWIG_3(java.lang.String jarg1,
boolean jarg2) |
static long |
RWMol_MolFromMol2File__SWIG_4(java.lang.String jarg1) |
static long |
RWMol_MolFromMolBlock__SWIG_0(java.lang.String jarg1,
boolean jarg2,
boolean jarg3) |
static long |
RWMol_MolFromMolBlock__SWIG_1(java.lang.String jarg1,
boolean jarg2) |
static long |
RWMol_MolFromMolBlock__SWIG_2(java.lang.String jarg1) |
static long |
RWMol_MolFromMolFile__SWIG_0(java.lang.String jarg1,
boolean jarg2,
boolean jarg3) |
static long |
RWMol_MolFromMolFile__SWIG_1(java.lang.String jarg1,
boolean jarg2) |
static long |
RWMol_MolFromMolFile__SWIG_2(java.lang.String jarg1) |
static long |
RWMol_MolFromPDBBlock__SWIG_0(java.lang.String jarg1,
boolean jarg2,
boolean jarg3,
long jarg4,
boolean jarg5) |
static long |
RWMol_MolFromPDBBlock__SWIG_1(java.lang.String jarg1,
boolean jarg2,
boolean jarg3,
long jarg4) |
static long |
RWMol_MolFromPDBBlock__SWIG_2(java.lang.String jarg1,
boolean jarg2,
boolean jarg3) |
static long |
RWMol_MolFromPDBBlock__SWIG_3(java.lang.String jarg1,
boolean jarg2) |
static long |
RWMol_MolFromPDBBlock__SWIG_4(java.lang.String jarg1) |
static long |
RWMol_MolFromPDBFile__SWIG_0(java.lang.String jarg1,
boolean jarg2,
boolean jarg3,
long jarg4,
boolean jarg5) |
static long |
RWMol_MolFromPDBFile__SWIG_1(java.lang.String jarg1,
boolean jarg2,
boolean jarg3,
long jarg4) |
static long |
RWMol_MolFromPDBFile__SWIG_2(java.lang.String jarg1,
boolean jarg2,
boolean jarg3) |
static long |
RWMol_MolFromPDBFile__SWIG_3(java.lang.String jarg1,
boolean jarg2) |
static long |
RWMol_MolFromPDBFile__SWIG_4(java.lang.String jarg1) |
static long |
RWMol_MolFromSequence__SWIG_0(java.lang.String jarg1,
boolean jarg2,
int jarg3) |
static long |
RWMol_MolFromSequence__SWIG_1(java.lang.String jarg1,
boolean jarg2) |
static long |
RWMol_MolFromSequence__SWIG_2(java.lang.String jarg1) |
static long |
RWMol_MolFromSmarts__SWIG_0(java.lang.String jarg1,
int jarg2,
boolean jarg3,
long jarg4,
String_String_Map jarg4_) |
static long |
RWMol_MolFromSmarts__SWIG_1(java.lang.String jarg1,
int jarg2,
boolean jarg3) |
static long |
RWMol_MolFromSmarts__SWIG_2(java.lang.String jarg1,
int jarg2) |
static long |
RWMol_MolFromSmarts__SWIG_3(java.lang.String jarg1) |
static long |
RWMol_MolFromSmiles__SWIG_0(java.lang.String jarg1,
int jarg2,
boolean jarg3,
long jarg4,
String_String_Map jarg4_) |
static long |
RWMol_MolFromSmiles__SWIG_1(java.lang.String jarg1,
int jarg2,
boolean jarg3) |
static long |
RWMol_MolFromSmiles__SWIG_2(java.lang.String jarg1,
int jarg2) |
static long |
RWMol_MolFromSmiles__SWIG_3(java.lang.String jarg1) |
static long |
RWMol_MolFromTPLFile__SWIG_0(java.lang.String jarg1,
boolean jarg2,
boolean jarg3) |
static long |
RWMol_MolFromTPLFile__SWIG_1(java.lang.String jarg1,
boolean jarg2) |
static long |
RWMol_MolFromTPLFile__SWIG_2(java.lang.String jarg1) |
static void |
RWMol_removeAtom__SWIG_0(long jarg1,
RWMol jarg1_,
long jarg2) |
static void |
RWMol_removeAtom__SWIG_1(long jarg1,
RWMol jarg1_,
long jarg2,
Atom jarg2_) |
static void |
RWMol_removeBond(long jarg1,
RWMol jarg1_,
long jarg2,
long jarg3) |
static void |
RWMol_replaceAtom__SWIG_0(long jarg1,
RWMol jarg1_,
long jarg2,
long jarg3,
Atom jarg3_,
boolean jarg4,
boolean jarg5) |
static void |
RWMol_replaceAtom__SWIG_1(long jarg1,
RWMol jarg1_,
long jarg2,
long jarg3,
Atom jarg3_,
boolean jarg4) |
static void |
RWMol_replaceAtom__SWIG_2(long jarg1,
RWMol jarg1_,
long jarg2,
long jarg3,
Atom jarg3_) |
static void |
RWMol_replaceBond__SWIG_0(long jarg1,
RWMol jarg1_,
long jarg2,
long jarg3,
Bond jarg3_,
boolean jarg4) |
static void |
RWMol_replaceBond__SWIG_1(long jarg1,
RWMol jarg1_,
long jarg2,
long jarg3,
Bond jarg3_) |
static void |
RWMol_sanitizeMol(long jarg1,
RWMol jarg1_) |
static void |
RWMol_setActiveAtom__SWIG_0(long jarg1,
RWMol jarg1_,
long jarg2,
Atom jarg2_) |
static void |
RWMol_setActiveAtom__SWIG_1(long jarg1,
RWMol jarg1_,
long jarg2) |
static void |
RWMol_setStereoGroups(long jarg1,
RWMol jarg1_,
long jarg2,
StereoGroup_Vect jarg2_) |
static long |
RWMol_SWIGSmartPtrUpcast(long jarg1) |
static long |
RxnBlockToChemicalReaction(java.lang.String jarg1) |
static long |
RxnDataStreamToChemicalReaction(long jarg1,
long jarg2) |
static long |
RxnFileToChemicalReaction(java.lang.String jarg1) |
static long |
RxnMolToChemicalReaction(long jarg1,
ROMol jarg1_) |
static long |
RxnSmartsToChemicalReaction__SWIG_0(java.lang.String jarg1,
long jarg2,
String_String_Map jarg2_,
boolean jarg3) |
static long |
RxnSmartsToChemicalReaction__SWIG_1(java.lang.String jarg1,
long jarg2,
String_String_Map jarg2_) |
static long |
RxnSmartsToChemicalReaction__SWIG_2(java.lang.String jarg1) |
static int |
SANITIZE_ADJUSTHS_get() |
static int |
SANITIZE_ALL_get() |
static int |
SANITIZE_CLEANUP_get() |
static int |
SANITIZE_CLEANUPCHIRALITY_get() |
static int |
SANITIZE_FINDRADICALS_get() |
static int |
SANITIZE_KEKULIZE_get() |
static int |
SANITIZE_NONE_get() |
static int |
SANITIZE_PROPERTIES_get() |
static int |
SANITIZE_SETAROMATICITY_get() |
static int |
SANITIZE_SETCONJUGATION_get() |
static int |
SANITIZE_SETHYBRIDIZATION_get() |
static int |
SANITIZE_SYMMRINGS_get() |
static void |
sanitizeMol__SWIG_0(long jarg1,
RWMol jarg1_,
long jarg2,
long jarg3) |
static void |
sanitizeMol__SWIG_1(long jarg1,
RWMol jarg1_,
long jarg2) |
static void |
sanitizeMol__SWIG_2(long jarg1,
RWMol jarg1_) |
static int |
sanitizeMol(long jarg1,
RWMol jarg1_,
int jarg2) |
static boolean |
SDMolSupplier_atEnd(long jarg1,
SDMolSupplier jarg1_) |
static java.lang.String |
SDMolSupplier_getItemText(long jarg1,
SDMolSupplier jarg1_,
long jarg2) |
static void |
SDMolSupplier_init(long jarg1,
SDMolSupplier jarg1_) |
static long |
SDMolSupplier_length(long jarg1,
SDMolSupplier jarg1_) |
static void |
SDMolSupplier_moveTo(long jarg1,
SDMolSupplier jarg1_,
long jarg2) |
static long |
SDMolSupplier_next(long jarg1,
SDMolSupplier jarg1_) |
static void |
SDMolSupplier_reset(long jarg1,
SDMolSupplier jarg1_) |
static void |
SDMolSupplier_setData__SWIG_0(long jarg1,
SDMolSupplier jarg1_,
java.lang.String jarg2,
boolean jarg3,
boolean jarg4) |
static void |
SDMolSupplier_setData__SWIG_1(long jarg1,
SDMolSupplier jarg1_,
java.lang.String jarg2,
boolean jarg3) |
static void |
SDMolSupplier_setData__SWIG_2(long jarg1,
SDMolSupplier jarg1_,
java.lang.String jarg2) |
static void |
SDMolSupplier_setData__SWIG_3(long jarg1,
SDMolSupplier jarg1_,
java.lang.String jarg2,
boolean jarg3,
boolean jarg4,
boolean jarg5) |
static void |
SDMolSupplier_setStreamIndices(long jarg1,
SDMolSupplier jarg1_,
long jarg2) |
static long |
SDMolSupplier_SWIGUpcast(long jarg1) |
static void |
SDWriter_close(long jarg1,
SDWriter jarg1_) |
static void |
SDWriter_flush(long jarg1,
SDWriter jarg1_) |
static boolean |
SDWriter_getForceV3000(long jarg1,
SDWriter jarg1_) |
static boolean |
SDWriter_getKekulize(long jarg1,
SDWriter jarg1_) |
static java.lang.String |
SDWriter_getText__SWIG_0(long jarg1,
ROMol jarg1_,
int jarg2,
boolean jarg3,
boolean jarg4,
int jarg5,
long jarg6,
Str_Vect jarg6_) |
static java.lang.String |
SDWriter_getText__SWIG_1(long jarg1,
ROMol jarg1_,
int jarg2,
boolean jarg3,
boolean jarg4,
int jarg5) |
static java.lang.String |
SDWriter_getText__SWIG_2(long jarg1,
ROMol jarg1_,
int jarg2,
boolean jarg3,
boolean jarg4) |
static java.lang.String |
SDWriter_getText__SWIG_3(long jarg1,
ROMol jarg1_,
int jarg2,
boolean jarg3) |
static java.lang.String |
SDWriter_getText__SWIG_4(long jarg1,
ROMol jarg1_,
int jarg2) |
static java.lang.String |
SDWriter_getText__SWIG_5(long jarg1,
ROMol jarg1_) |
static long |
SDWriter_numMols(long jarg1,
SDWriter jarg1_) |
static void |
SDWriter_setForceV3000(long jarg1,
SDWriter jarg1_,
boolean jarg2) |
static void |
SDWriter_setKekulize(long jarg1,
SDWriter jarg1_,
boolean jarg2) |
static void |
SDWriter_setProps(long jarg1,
SDWriter jarg1_,
long jarg2,
Str_Vect jarg2_) |
static long |
SDWriter_SWIGUpcast(long jarg1) |
static void |
SDWriter_write__SWIG_0(long jarg1,
SDWriter jarg1_,
long jarg2,
ROMol jarg2_,
int jarg3) |
static void |
SDWriter_write__SWIG_1(long jarg1,
SDWriter jarg1_,
long jarg2,
ROMol jarg2_) |
static long |
set2DCoords__SWIG_0(long jarg1,
ROMol jarg1_,
boolean jarg2) |
static long |
set2DCoords__SWIG_1(long jarg1,
ROMol jarg1_) |
static java.lang.String |
set2DCoords__SWIG_2(java.lang.String jarg1,
boolean jarg2) |
static void |
setAngleDeg(long jarg1,
Conformer jarg1_,
long jarg2,
long jarg3,
long jarg4,
double jarg5) |
static void |
setAngleRad(long jarg1,
Conformer jarg1_,
long jarg2,
long jarg3,
long jarg4,
double jarg5) |
static int |
setAromaticity__SWIG_0(long jarg1,
RWMol jarg1_,
int jarg2,
long jarg3) |
static int |
setAromaticity__SWIG_1(long jarg1,
RWMol jarg1_,
int jarg2) |
static int |
setAromaticity__SWIG_2(long jarg1,
RWMol jarg1_) |
static void |
setAtomAlias(long jarg1,
Atom jarg1_,
java.lang.String jarg2) |
static void |
setAtomRLabel(long jarg1,
Atom jarg1_,
int jarg2) |
static void |
setAtomValue(long jarg1,
Atom jarg1_,
java.lang.String jarg2) |
static void |
setBondLength(long jarg1,
Conformer jarg1_,
long jarg2,
long jarg3,
double jarg4) |
static void |
setBondStereoFromDirections(long jarg1,
ROMol jarg1_) |
static void |
setConjugation(long jarg1,
ROMol jarg1_) |
static void |
setDihedralDeg(long jarg1,
Conformer jarg1_,
long jarg2,
long jarg3,
long jarg4,
long jarg5,
double jarg6) |
static void |
setDihedralRad(long jarg1,
Conformer jarg1_,
long jarg2,
long jarg3,
long jarg4,
long jarg5,
double jarg6) |
static void |
setDoubleBondNeighborDirections__SWIG_0(long jarg1,
ROMol jarg1_,
long jarg2,
Conformer jarg2_) |
static void |
setDoubleBondNeighborDirections__SWIG_1(long jarg1,
ROMol jarg1_) |
static void |
setHybridization(long jarg1,
ROMol jarg1_) |
static void |
setPreferCoordGen(boolean jarg1) |
static void |
setSupplementalSmilesLabel(long jarg1,
Atom jarg1_,
java.lang.String jarg2) |
static void |
setTopolBounds__SWIG_0(long jarg1,
ROMol jarg1_,
long jarg2,
boolean jarg3,
boolean jarg4) |
static void |
setTopolBounds__SWIG_1(long jarg1,
ROMol jarg1_,
long jarg2,
boolean jarg3) |
static void |
setTopolBounds__SWIG_2(long jarg1,
ROMol jarg1_,
long jarg2) |
static void |
setTopolBounds__SWIG_3(long jarg1,
ROMol jarg1_,
long jarg2,
long jarg3,
Match_Vect jarg3_,
long jarg4,
Int_Vect_Vect jarg4_,
boolean jarg5,
boolean jarg6) |
static void |
setTopolBounds__SWIG_4(long jarg1,
ROMol jarg1_,
long jarg2,
long jarg3,
Match_Vect jarg3_,
long jarg4,
Int_Vect_Vect jarg4_,
boolean jarg5) |
static void |
setTopolBounds__SWIG_5(long jarg1,
ROMol jarg1_,
long jarg2,
long jarg3,
Match_Vect jarg3_,
long jarg4,
Int_Vect_Vect jarg4_) |
static long |
Shared_Double_Array__internal_get_deleter(long jarg1,
Shared_Double_Array jarg1_,
long jarg2) |
static long |
Shared_Double_Array_get(long jarg1,
Shared_Double_Array jarg1_) |
static double |
Shared_Double_Array_getElement(long jarg1,
Shared_Double_Array jarg1_,
int jarg2) |
static void |
Shared_Double_Array_reset(long jarg1,
Shared_Double_Array jarg1_) |
static double |
Shared_Double_Array_setElement(long jarg1,
Shared_Double_Array jarg1_,
int jarg2,
double jarg3) |
static void |
Shared_Double_Array_swap(long jarg1,
Shared_Double_Array jarg1_,
long jarg2,
Shared_Double_Array jarg2_) |
static boolean |
Shared_Double_Array_unique(long jarg1,
Shared_Double_Array jarg1_) |
static long |
Shared_Double_Array_use_count(long jarg1,
Shared_Double_Array jarg1_) |
static long |
Shared_Int_Array__internal_get_deleter(long jarg1,
Shared_Int_Array jarg1_,
long jarg2) |
static long |
Shared_Int_Array_get(long jarg1,
Shared_Int_Array jarg1_) |
static int |
Shared_Int_Array_getElement(long jarg1,
Shared_Int_Array jarg1_,
int jarg2) |
static void |
Shared_Int_Array_reset(long jarg1,
Shared_Int_Array jarg1_) |
static int |
Shared_Int_Array_setElement(long jarg1,
Shared_Int_Array jarg1_,
int jarg2,
int jarg3) |
static void |
Shared_Int_Array_swap(long jarg1,
Shared_Int_Array jarg1_,
long jarg2,
Shared_Int_Array jarg2_) |
static boolean |
Shared_Int_Array_unique(long jarg1,
Shared_Int_Array jarg1_) |
static long |
Shared_Int_Array_use_count(long jarg1,
Shared_Int_Array jarg1_) |
static double |
SMALL_DOUBLE_get() |
static long |
SmartsToAtom(java.lang.String jarg1) |
static long |
SmartsToBond(java.lang.String jarg1) |
static boolean |
SmilesMolSupplier_atEnd(long jarg1,
SmilesMolSupplier jarg1_) |
static java.lang.String |
SmilesMolSupplier_getItemText(long jarg1,
SmilesMolSupplier jarg1_,
long jarg2) |
static void |
SmilesMolSupplier_init(long jarg1,
SmilesMolSupplier jarg1_) |
static long |
SmilesMolSupplier_length(long jarg1,
SmilesMolSupplier jarg1_) |
static void |
SmilesMolSupplier_moveTo(long jarg1,
SmilesMolSupplier jarg1_,
long jarg2) |
static long |
SmilesMolSupplier_next(long jarg1,
SmilesMolSupplier jarg1_) |
static void |
SmilesMolSupplier_reset(long jarg1,
SmilesMolSupplier jarg1_) |
static void |
SmilesMolSupplier_setData__SWIG_0(long jarg1,
SmilesMolSupplier jarg1_,
java.lang.String jarg2,
java.lang.String jarg3,
int jarg4,
int jarg5,
boolean jarg6,
boolean jarg7) |
static void |
SmilesMolSupplier_setData__SWIG_1(long jarg1,
SmilesMolSupplier jarg1_,
java.lang.String jarg2,
java.lang.String jarg3,
int jarg4,
int jarg5,
boolean jarg6) |
static void |
SmilesMolSupplier_setData__SWIG_2(long jarg1,
SmilesMolSupplier jarg1_,
java.lang.String jarg2,
java.lang.String jarg3,
int jarg4,
int jarg5) |
static void |
SmilesMolSupplier_setData__SWIG_3(long jarg1,
SmilesMolSupplier jarg1_,
java.lang.String jarg2,
java.lang.String jarg3,
int jarg4) |
static void |
SmilesMolSupplier_setData__SWIG_4(long jarg1,
SmilesMolSupplier jarg1_,
java.lang.String jarg2,
java.lang.String jarg3) |
static void |
SmilesMolSupplier_setData__SWIG_5(long jarg1,
SmilesMolSupplier jarg1_,
java.lang.String jarg2) |
static long |
SmilesMolSupplier_SWIGUpcast(long jarg1) |
static java.lang.String |
SmilesParseException_message(long jarg1,
SmilesParseException jarg1_) |
static boolean |
SmilesParserParams_allowCXSMILES_get(long jarg1,
SmilesParserParams jarg1_) |
static void |
SmilesParserParams_allowCXSMILES_set(long jarg1,
SmilesParserParams jarg1_,
boolean jarg2) |
static int |
SmilesParserParams_debugParse_get(long jarg1,
SmilesParserParams jarg1_) |
static void |
SmilesParserParams_debugParse_set(long jarg1,
SmilesParserParams jarg1_,
int jarg2) |
static boolean |
SmilesParserParams_parseName_get(long jarg1,
SmilesParserParams jarg1_) |
static void |
SmilesParserParams_parseName_set(long jarg1,
SmilesParserParams jarg1_,
boolean jarg2) |
static boolean |
SmilesParserParams_removeHs_get(long jarg1,
SmilesParserParams jarg1_) |
static void |
SmilesParserParams_removeHs_set(long jarg1,
SmilesParserParams jarg1_,
boolean jarg2) |
static long |
SmilesParserParams_replacements_get(long jarg1,
SmilesParserParams jarg1_) |
static void |
SmilesParserParams_replacements_set(long jarg1,
SmilesParserParams jarg1_,
long jarg2,
String_String_Map jarg2_) |
static boolean |
SmilesParserParams_sanitize_get(long jarg1,
SmilesParserParams jarg1_) |
static void |
SmilesParserParams_sanitize_set(long jarg1,
SmilesParserParams jarg1_,
boolean jarg2) |
static java.lang.String |
smilesSymbol_get() |
static long |
SmilesToAtom(java.lang.String jarg1) |
static long |
SmilesToBond(java.lang.String jarg1) |
static void |
SmilesWriter_close(long jarg1,
SmilesWriter jarg1_) |
static void |
SmilesWriter_flush(long jarg1,
SmilesWriter jarg1_) |
static long |
SmilesWriter_numMols(long jarg1,
SmilesWriter jarg1_) |
static void |
SmilesWriter_setProps(long jarg1,
SmilesWriter jarg1_,
long jarg2,
Str_Vect jarg2_) |
static long |
SmilesWriter_SWIGUpcast(long jarg1) |
static void |
SmilesWriter_write__SWIG_0(long jarg1,
SmilesWriter jarg1_,
long jarg2,
ROMol jarg2_,
int jarg3) |
static void |
SmilesWriter_write__SWIG_1(long jarg1,
SmilesWriter jarg1_,
long jarg2,
ROMol jarg2_) |
static double |
Snapshot_getEnergy(long jarg1,
Snapshot jarg1_) |
static long |
Snapshot_getPoint2D(long jarg1,
Snapshot jarg1_,
long jarg2) |
static long |
Snapshot_getPoint3D(long jarg1,
Snapshot jarg1_,
long jarg2) |
static void |
Snapshot_setEnergy(long jarg1,
Snapshot jarg1_,
double jarg2) |
static long |
Snapshot_SnapshotVect() |
static long |
Snapshot_trajectory(long jarg1,
Snapshot jarg1_) |
static double |
SokalSimilarity(long jarg1,
ExplicitBitVect jarg1_,
long jarg2,
ExplicitBitVect jarg2_) |
static boolean |
SparseIntVect32_eq(long jarg1,
SparseIntVect32 jarg1_,
long jarg2,
SparseIntVect32 jarg2_) |
static void |
SparseIntVect32_fromString(long jarg1,
SparseIntVect32 jarg1_,
java.lang.String jarg2) |
static int |
SparseIntVect32_getLength(long jarg1,
SparseIntVect32 jarg1_) |
static long |
SparseIntVect32_getNonzero(long jarg1,
SparseIntVect32 jarg1_) |
static long |
SparseIntVect32_getNonzeroElements(long jarg1,
SparseIntVect32 jarg1_) |
static int |
SparseIntVect32_getTotalVal__SWIG_0(long jarg1,
SparseIntVect32 jarg1_,
boolean jarg2) |
static int |
SparseIntVect32_getTotalVal__SWIG_1(long jarg1,
SparseIntVect32 jarg1_) |
static int |
SparseIntVect32_getVal(long jarg1,
SparseIntVect32 jarg1_,
int jarg2) |
static boolean |
SparseIntVect32_ne(long jarg1,
SparseIntVect32 jarg1_,
long jarg2,
SparseIntVect32 jarg2_) |
static void |
SparseIntVect32_setVal(long jarg1,
SparseIntVect32 jarg1_,
int jarg2,
int jarg3) |
static long |
SparseIntVect32_size(long jarg1,
SparseIntVect32 jarg1_) |
static java.lang.String |
SparseIntVect32_toString(long jarg1,
SparseIntVect32 jarg1_) |
static boolean |
SparseIntVect64_eq(long jarg1,
SparseIntVect64 jarg1_,
long jarg2,
SparseIntVect64 jarg2_) |
static void |
SparseIntVect64_fromString(long jarg1,
SparseIntVect64 jarg1_,
java.lang.String jarg2) |
static long |
SparseIntVect64_getLength(long jarg1,
SparseIntVect64 jarg1_) |
static long |
SparseIntVect64_getNonzero(long jarg1,
SparseIntVect64 jarg1_) |
static long |
SparseIntVect64_getNonzeroElements(long jarg1,
SparseIntVect64 jarg1_) |
static int |
SparseIntVect64_getTotalVal__SWIG_0(long jarg1,
SparseIntVect64 jarg1_,
boolean jarg2) |
static int |
SparseIntVect64_getTotalVal__SWIG_1(long jarg1,
SparseIntVect64 jarg1_) |
static int |
SparseIntVect64_getVal(long jarg1,
SparseIntVect64 jarg1_,
long jarg2) |
static boolean |
SparseIntVect64_ne(long jarg1,
SparseIntVect64 jarg1_,
long jarg2,
SparseIntVect64 jarg2_) |
static void |
SparseIntVect64_setVal(long jarg1,
SparseIntVect64 jarg1_,
long jarg2,
int jarg3) |
static long |
SparseIntVect64_size(long jarg1,
SparseIntVect64 jarg1_) |
static java.lang.String |
SparseIntVect64_toString(long jarg1,
SparseIntVect64 jarg1_) |
static boolean |
SparseIntVectu32_eq(long jarg1,
SparseIntVectu32 jarg1_,
long jarg2,
SparseIntVectu32 jarg2_) |
static void |
SparseIntVectu32_fromString(long jarg1,
SparseIntVectu32 jarg1_,
java.lang.String jarg2) |
static long |
SparseIntVectu32_getLength(long jarg1,
SparseIntVectu32 jarg1_) |
static long |
SparseIntVectu32_getNonzero(long jarg1,
SparseIntVectu32 jarg1_) |
static long |
SparseIntVectu32_getNonzeroElements(long jarg1,
SparseIntVectu32 jarg1_) |
static int |
SparseIntVectu32_getTotalVal__SWIG_0(long jarg1,
SparseIntVectu32 jarg1_,
boolean jarg2) |
static int |
SparseIntVectu32_getTotalVal__SWIG_1(long jarg1,
SparseIntVectu32 jarg1_) |
static int |
SparseIntVectu32_getVal(long jarg1,
SparseIntVectu32 jarg1_,
long jarg2) |
static boolean |
SparseIntVectu32_ne(long jarg1,
SparseIntVectu32 jarg1_,
long jarg2,
SparseIntVectu32 jarg2_) |
static void |
SparseIntVectu32_setVal(long jarg1,
SparseIntVectu32 jarg1_,
long jarg2,
int jarg3) |
static long |
SparseIntVectu32_size(long jarg1,
SparseIntVectu32 jarg1_) |
static java.lang.String |
SparseIntVectu32_toString(long jarg1,
SparseIntVectu32 jarg1_) |
static void |
SplitMolecule(long jarg1,
RWMol jarg1_,
long jarg2) |
static long |
ss_matcher_getMatcher(long jarg1,
ss_matcher jarg1_) |
static java.lang.String |
standardizeSmiles(java.lang.String jarg1) |
static long |
StereoGroup_getAtoms(long jarg1,
StereoGroup jarg1_) |
static int |
StereoGroup_getGroupType(long jarg1,
StereoGroup jarg1_) |
static void |
StereoGroup_Vect_add(long jarg1,
StereoGroup_Vect jarg1_,
long jarg2,
StereoGroup jarg2_) |
static long |
StereoGroup_Vect_capacity(long jarg1,
StereoGroup_Vect jarg1_) |
static void |
StereoGroup_Vect_clear(long jarg1,
StereoGroup_Vect jarg1_) |
static boolean |
StereoGroup_Vect_equals(long jarg1,
StereoGroup_Vect jarg1_,
long jarg2,
StereoGroup_Vect jarg2_) |
static long |
StereoGroup_Vect_get(long jarg1,
StereoGroup_Vect jarg1_,
int jarg2) |
static boolean |
StereoGroup_Vect_isEmpty(long jarg1,
StereoGroup_Vect jarg1_) |
static void |
StereoGroup_Vect_reserve(long jarg1,
StereoGroup_Vect jarg1_,
long jarg2) |
static void |
StereoGroup_Vect_set(long jarg1,
StereoGroup_Vect jarg1_,
int jarg2,
long jarg3,
StereoGroup jarg3_) |
static long |
StereoGroup_Vect_size(long jarg1,
StereoGroup_Vect jarg1_) |
static int |
StereoGroupType_STEREO_ABSOLUTE_get() |
static int |
StereoGroupType_STEREO_AND_get() |
static int |
StereoGroupType_STEREO_OR_get() |
static void |
stereoParent__SWIG_0(long jarg1,
RWMol jarg1_,
long jarg2,
CleanupParameters jarg2_) |
static void |
stereoParent__SWIG_1(long jarg1,
RWMol jarg1_) |
static void |
Str_Vect_add(long jarg1,
Str_Vect jarg1_,
java.lang.String jarg2) |
static long |
Str_Vect_capacity(long jarg1,
Str_Vect jarg1_) |
static void |
Str_Vect_clear(long jarg1,
Str_Vect jarg1_) |
static boolean |
Str_Vect_equals(long jarg1,
Str_Vect jarg1_,
long jarg2,
Str_Vect jarg2_) |
static java.lang.String |
Str_Vect_get(long jarg1,
Str_Vect jarg1_,
int jarg2) |
static boolean |
Str_Vect_isEmpty(long jarg1,
Str_Vect jarg1_) |
static void |
Str_Vect_reserve(long jarg1,
Str_Vect jarg1_,
long jarg2) |
static void |
Str_Vect_set(long jarg1,
Str_Vect jarg1_,
int jarg2,
java.lang.String jarg3) |
static long |
Str_Vect_size(long jarg1,
Str_Vect jarg1_) |
static int |
Strict_get() |
static int |
StrictLinkages_get() |
static void |
String_String_Map_clear(long jarg1,
String_String_Map jarg1_) |
static void |
String_String_Map_del(long jarg1,
String_String_Map jarg1_,
java.lang.String jarg2) |
static boolean |
String_String_Map_empty(long jarg1,
String_String_Map jarg1_) |
static java.lang.String |
String_String_Map_get(long jarg1,
String_String_Map jarg1_,
java.lang.String jarg2) |
static boolean |
String_String_Map_has_key(long jarg1,
String_String_Map jarg1_,
java.lang.String jarg2) |
static void |
String_String_Map_set(long jarg1,
String_String_Map jarg1_,
java.lang.String jarg2,
java.lang.String jarg3) |
static long |
String_String_Map_size(long jarg1,
String_String_Map jarg1_) |
static java.lang.String |
StringInt_Pair_first_get(long jarg1,
StringInt_Pair jarg1_) |
static void |
StringInt_Pair_first_set(long jarg1,
StringInt_Pair jarg1_,
java.lang.String jarg2) |
static int |
StringInt_Pair_second_get(long jarg1,
StringInt_Pair jarg1_) |
static void |
StringInt_Pair_second_set(long jarg1,
StringInt_Pair jarg1_,
int jarg2) |
static void |
StringMolMap_clear(long jarg1,
StringMolMap jarg1_) |
static void |
StringMolMap_del(long jarg1,
StringMolMap jarg1_,
java.lang.String jarg2) |
static boolean |
StringMolMap_empty(long jarg1,
StringMolMap jarg1_) |
static long |
StringMolMap_get(long jarg1,
StringMolMap jarg1_,
java.lang.String jarg2) |
static boolean |
StringMolMap_has_key(long jarg1,
StringMolMap jarg1_,
java.lang.String jarg2) |
static void |
StringMolMap_set(long jarg1,
StringMolMap jarg1_,
java.lang.String jarg2,
long jarg3,
ROMol jarg3_) |
static long |
StringMolMap_size(long jarg1,
StringMolMap jarg1_) |
static void |
StringMolMap_Vect_add(long jarg1,
StringMolMap_Vect jarg1_,
long jarg2,
StringMolMap jarg2_) |
static long |
StringMolMap_Vect_capacity(long jarg1,
StringMolMap_Vect jarg1_) |
static void |
StringMolMap_Vect_clear(long jarg1,
StringMolMap_Vect jarg1_) |
static boolean |
StringMolMap_Vect_equals(long jarg1,
StringMolMap_Vect jarg1_,
long jarg2,
StringMolMap_Vect jarg2_) |
static long |
StringMolMap_Vect_get(long jarg1,
StringMolMap_Vect jarg1_,
int jarg2) |
static boolean |
StringMolMap_Vect_isEmpty(long jarg1,
StringMolMap_Vect jarg1_) |
static void |
StringMolMap_Vect_reserve(long jarg1,
StringMolMap_Vect jarg1_,
long jarg2) |
static void |
StringMolMap_Vect_set(long jarg1,
StringMolMap_Vect jarg1_,
int jarg2,
long jarg3,
StringMolMap jarg3_) |
static long |
StringMolMap_Vect_size(long jarg1,
StringMolMap_Vect jarg1_) |
static void |
StringROMol_VectMap_clear(long jarg1,
StringROMol_VectMap jarg1_) |
static void |
StringROMol_VectMap_del(long jarg1,
StringROMol_VectMap jarg1_,
java.lang.String jarg2) |
static boolean |
StringROMol_VectMap_empty(long jarg1,
StringROMol_VectMap jarg1_) |
static long |
StringROMol_VectMap_get(long jarg1,
StringROMol_VectMap jarg1_,
java.lang.String jarg2) |
static boolean |
StringROMol_VectMap_has_key(long jarg1,
StringROMol_VectMap jarg1_,
java.lang.String jarg2) |
static long |
StringROMol_VectMap_keys(long jarg1,
StringROMol_VectMap jarg1_) |
static void |
StringROMol_VectMap_set(long jarg1,
StringROMol_VectMap jarg1_,
java.lang.String jarg2,
long jarg3,
ROMol_Vect jarg3_) |
static long |
StringROMol_VectMap_size(long jarg1,
StringROMol_VectMap jarg1_) |
static void |
Strip(long jarg1,
RWMol jarg1_,
long jarg2) |
static java.lang.String |
strip(java.lang.String jarg1) |
static int |
StripType_AtomMap_get() |
static int |
StripType_AtomStereo_get() |
static int |
StripType_BondStereo_get() |
static int |
StripType_Hydrogen_get() |
static int |
StripType_Isotope_get() |
static long |
StructuralFingerprintChemReaction__SWIG_0(long jarg1,
ChemicalReaction jarg1_,
long jarg2,
ReactionFingerprintParams jarg2_) |
static long |
StructuralFingerprintChemReaction__SWIG_1(long jarg1,
ChemicalReaction jarg1_) |
static long |
substructLayers_get() |
static long |
SubstructLibrary_addMol(long jarg1,
SubstructLibrary jarg1_,
long jarg2,
ROMol jarg2_) |
static boolean |
SubstructLibrary_canSerialize(long jarg1,
SubstructLibrary jarg1_) |
static long |
SubstructLibrary_countMatches__SWIG_0(long jarg1,
SubstructLibrary jarg1_,
long jarg2,
ROMol jarg2_,
boolean jarg3,
boolean jarg4,
boolean jarg5,
int jarg6) |
static long |
SubstructLibrary_countMatches__SWIG_1(long jarg1,
SubstructLibrary jarg1_,
long jarg2,
ROMol jarg2_,
boolean jarg3,
boolean jarg4,
boolean jarg5) |
static long |
SubstructLibrary_countMatches__SWIG_2(long jarg1,
SubstructLibrary jarg1_,
long jarg2,
ROMol jarg2_,
boolean jarg3,
boolean jarg4) |
static long |
SubstructLibrary_countMatches__SWIG_3(long jarg1,
SubstructLibrary jarg1_,
long jarg2,
ROMol jarg2_,
boolean jarg3) |
static long |
SubstructLibrary_countMatches__SWIG_4(long jarg1,
SubstructLibrary jarg1_,
long jarg2,
ROMol jarg2_) |
static long |
SubstructLibrary_countMatches__SWIG_5(long jarg1,
SubstructLibrary jarg1_,
long jarg2,
ROMol jarg2_,
long jarg3,
long jarg4,
boolean jarg5,
boolean jarg6,
boolean jarg7,
int jarg8) |
static long |
SubstructLibrary_countMatches__SWIG_6(long jarg1,
SubstructLibrary jarg1_,
long jarg2,
ROMol jarg2_,
long jarg3,
long jarg4,
boolean jarg5,
boolean jarg6,
boolean jarg7) |
static long |
SubstructLibrary_countMatches__SWIG_7(long jarg1,
SubstructLibrary jarg1_,
long jarg2,
ROMol jarg2_,
long jarg3,
long jarg4,
boolean jarg5,
boolean jarg6) |
static long |
SubstructLibrary_countMatches__SWIG_8(long jarg1,
SubstructLibrary jarg1_,
long jarg2,
ROMol jarg2_,
long jarg3,
long jarg4,
boolean jarg5) |
static long |
SubstructLibrary_countMatches__SWIG_9(long jarg1,
SubstructLibrary jarg1_,
long jarg2,
ROMol jarg2_,
long jarg3,
long jarg4) |
static long |
SubstructLibrary_getFingerprints__SWIG_0(long jarg1,
SubstructLibrary jarg1_) |
static long |
SubstructLibrary_getFpHolder__SWIG_0(long jarg1,
SubstructLibrary jarg1_) |
static long |
SubstructLibrary_getMatches__SWIG_0(long jarg1,
SubstructLibrary jarg1_,
long jarg2,
ROMol jarg2_,
boolean jarg3,
boolean jarg4,
boolean jarg5,
int jarg6,
int jarg7) |
static long |
SubstructLibrary_getMatches__SWIG_1(long jarg1,
SubstructLibrary jarg1_,
long jarg2,
ROMol jarg2_,
boolean jarg3,
boolean jarg4,
boolean jarg5,
int jarg6) |
static long |
SubstructLibrary_getMatches__SWIG_10(long jarg1,
SubstructLibrary jarg1_,
long jarg2,
ROMol jarg2_,
long jarg3,
long jarg4,
boolean jarg5) |
static long |
SubstructLibrary_getMatches__SWIG_11(long jarg1,
SubstructLibrary jarg1_,
long jarg2,
ROMol jarg2_,
long jarg3,
long jarg4) |
static long |
SubstructLibrary_getMatches__SWIG_2(long jarg1,
SubstructLibrary jarg1_,
long jarg2,
ROMol jarg2_,
boolean jarg3,
boolean jarg4,
boolean jarg5) |
static long |
SubstructLibrary_getMatches__SWIG_3(long jarg1,
SubstructLibrary jarg1_,
long jarg2,
ROMol jarg2_,
boolean jarg3,
boolean jarg4) |
static long |
SubstructLibrary_getMatches__SWIG_4(long jarg1,
SubstructLibrary jarg1_,
long jarg2,
ROMol jarg2_,
boolean jarg3) |
static long |
SubstructLibrary_getMatches__SWIG_5(long jarg1,
SubstructLibrary jarg1_,
long jarg2,
ROMol jarg2_) |
static long |
SubstructLibrary_getMatches__SWIG_6(long jarg1,
SubstructLibrary jarg1_,
long jarg2,
ROMol jarg2_,
long jarg3,
long jarg4,
boolean jarg5,
boolean jarg6,
boolean jarg7,
int jarg8,
int jarg9) |
static long |
SubstructLibrary_getMatches__SWIG_7(long jarg1,
SubstructLibrary jarg1_,
long jarg2,
ROMol jarg2_,
long jarg3,
long jarg4,
boolean jarg5,
boolean jarg6,
boolean jarg7,
int jarg8) |
static long |
SubstructLibrary_getMatches__SWIG_8(long jarg1,
SubstructLibrary jarg1_,
long jarg2,
ROMol jarg2_,
long jarg3,
long jarg4,
boolean jarg5,
boolean jarg6,
boolean jarg7) |
static long |
SubstructLibrary_getMatches__SWIG_9(long jarg1,
SubstructLibrary jarg1_,
long jarg2,
ROMol jarg2_,
long jarg3,
long jarg4,
boolean jarg5,
boolean jarg6) |
static long |
SubstructLibrary_getMol(long jarg1,
SubstructLibrary jarg1_,
long jarg2) |
static long |
SubstructLibrary_getMolecules(long jarg1,
SubstructLibrary jarg1_) |
static long |
SubstructLibrary_getMolHolder__SWIG_0(long jarg1,
SubstructLibrary jarg1_) |
static boolean |
SubstructLibrary_hasMatch__SWIG_0(long jarg1,
SubstructLibrary jarg1_,
long jarg2,
ROMol jarg2_,
boolean jarg3,
boolean jarg4,
boolean jarg5,
int jarg6) |
static boolean |
SubstructLibrary_hasMatch__SWIG_1(long jarg1,
SubstructLibrary jarg1_,
long jarg2,
ROMol jarg2_,
boolean jarg3,
boolean jarg4,
boolean jarg5) |
static boolean |
SubstructLibrary_hasMatch__SWIG_2(long jarg1,
SubstructLibrary jarg1_,
long jarg2,
ROMol jarg2_,
boolean jarg3,
boolean jarg4) |
static boolean |
SubstructLibrary_hasMatch__SWIG_3(long jarg1,
SubstructLibrary jarg1_,
long jarg2,
ROMol jarg2_,
boolean jarg3) |
static boolean |
SubstructLibrary_hasMatch__SWIG_4(long jarg1,
SubstructLibrary jarg1_,
long jarg2,
ROMol jarg2_) |
static boolean |
SubstructLibrary_hasMatch__SWIG_5(long jarg1,
SubstructLibrary jarg1_,
long jarg2,
ROMol jarg2_,
long jarg3,
long jarg4,
boolean jarg5,
boolean jarg6,
boolean jarg7,
int jarg8) |
static boolean |
SubstructLibrary_hasMatch__SWIG_6(long jarg1,
SubstructLibrary jarg1_,
long jarg2,
ROMol jarg2_,
long jarg3,
long jarg4,
boolean jarg5,
boolean jarg6,
boolean jarg7) |
static boolean |
SubstructLibrary_hasMatch__SWIG_7(long jarg1,
SubstructLibrary jarg1_,
long jarg2,
ROMol jarg2_,
long jarg3,
long jarg4,
boolean jarg5,
boolean jarg6) |
static boolean |
SubstructLibrary_hasMatch__SWIG_8(long jarg1,
SubstructLibrary jarg1_,
long jarg2,
ROMol jarg2_,
long jarg3,
long jarg4,
boolean jarg5) |
static boolean |
SubstructLibrary_hasMatch__SWIG_9(long jarg1,
SubstructLibrary jarg1_,
long jarg2,
ROMol jarg2_,
long jarg3,
long jarg4) |
static void |
SubstructLibrary_initFromStream(long jarg1,
SubstructLibrary jarg1_,
long jarg2) |
static void |
SubstructLibrary_initFromString(long jarg1,
SubstructLibrary jarg1_,
java.lang.String jarg2) |
static void |
SubstructLibrary_resetHolders(long jarg1,
SubstructLibrary jarg1_) |
static byte[] |
SubstructLibrary_Serialize(long jarg1,
SubstructLibrary jarg1_) |
static long |
SubstructLibrary_size(long jarg1,
SubstructLibrary jarg1_) |
static void |
SubstructLibrary_toStream(long jarg1,
SubstructLibrary jarg1_,
long jarg2) |
static boolean |
SubstructLibraryCanSerialize() |
static boolean |
SubstructMatchParameters_aromaticMatchesConjugated_get(long jarg1,
SubstructMatchParameters jarg1_) |
static void |
SubstructMatchParameters_aromaticMatchesConjugated_set(long jarg1,
SubstructMatchParameters jarg1_,
boolean jarg2) |
static long |
SubstructMatchParameters_maxMatches_get(long jarg1,
SubstructMatchParameters jarg1_) |
static void |
SubstructMatchParameters_maxMatches_set(long jarg1,
SubstructMatchParameters jarg1_,
long jarg2) |
static int |
SubstructMatchParameters_numThreads_get(long jarg1,
SubstructMatchParameters jarg1_) |
static void |
SubstructMatchParameters_numThreads_set(long jarg1,
SubstructMatchParameters jarg1_,
int jarg2) |
static boolean |
SubstructMatchParameters_recursionPossible_get(long jarg1,
SubstructMatchParameters jarg1_) |
static void |
SubstructMatchParameters_recursionPossible_set(long jarg1,
SubstructMatchParameters jarg1_,
boolean jarg2) |
static boolean |
SubstructMatchParameters_uniquify_get(long jarg1,
SubstructMatchParameters jarg1_) |
static void |
SubstructMatchParameters_uniquify_set(long jarg1,
SubstructMatchParameters jarg1_,
boolean jarg2) |
static boolean |
SubstructMatchParameters_useChirality_get(long jarg1,
SubstructMatchParameters jarg1_) |
static void |
SubstructMatchParameters_useChirality_set(long jarg1,
SubstructMatchParameters jarg1_,
boolean jarg2) |
static boolean |
SubstructMatchParameters_useQueryQueryMatches_get(long jarg1,
SubstructMatchParameters jarg1_) |
static void |
SubstructMatchParameters_useQueryQueryMatches_set(long jarg1,
SubstructMatchParameters jarg1_,
boolean jarg2) |
static void |
superParent__SWIG_0(long jarg1,
RWMol jarg1_,
long jarg2,
CleanupParameters jarg2_) |
static void |
superParent__SWIG_1(long jarg1,
RWMol jarg1_) |
static int |
symmetrizeSSSR__SWIG_0(long jarg1,
ROMol jarg1_,
long jarg2,
Int_Vect_Vect jarg2_) |
static int |
symmetrizeSSSR__SWIG_1(long jarg1,
ROMol jarg1_) |
static double |
TanimotoSimilarity(long jarg1,
ExplicitBitVect jarg1_,
long jarg2,
ExplicitBitVect jarg2_) |
static double |
TanimotoSimilarityEBV(long jarg1,
ExplicitBitVect jarg1_,
long jarg2,
ExplicitBitVect jarg2_) |
static double |
TanimotoSimilaritySIVi32__SWIG_0(long jarg1,
SparseIntVect32 jarg1_,
long jarg2,
SparseIntVect32 jarg2_,
boolean jarg3,
double jarg4) |
static double |
TanimotoSimilaritySIVi32__SWIG_1(long jarg1,
SparseIntVect32 jarg1_,
long jarg2,
SparseIntVect32 jarg2_,
boolean jarg3) |
static double |
TanimotoSimilaritySIVi32__SWIG_2(long jarg1,
SparseIntVect32 jarg1_,
long jarg2,
SparseIntVect32 jarg2_) |
static double |
TanimotoSimilaritySIVi64__SWIG_0(long jarg1,
SparseIntVect64 jarg1_,
long jarg2,
SparseIntVect64 jarg2_,
boolean jarg3,
double jarg4) |
static double |
TanimotoSimilaritySIVi64__SWIG_1(long jarg1,
SparseIntVect64 jarg1_,
long jarg2,
SparseIntVect64 jarg2_,
boolean jarg3) |
static double |
TanimotoSimilaritySIVi64__SWIG_2(long jarg1,
SparseIntVect64 jarg1_,
long jarg2,
SparseIntVect64 jarg2_) |
static double |
TanimotoSimilaritySIVu32__SWIG_0(long jarg1,
SparseIntVectu32 jarg1_,
long jarg2,
SparseIntVectu32 jarg2_,
boolean jarg3,
double jarg4) |
static double |
TanimotoSimilaritySIVu32__SWIG_1(long jarg1,
SparseIntVectu32 jarg1_,
long jarg2,
SparseIntVectu32 jarg2_,
boolean jarg3) |
static double |
TanimotoSimilaritySIVu32__SWIG_2(long jarg1,
SparseIntVectu32 jarg1_,
long jarg2,
SparseIntVectu32 jarg2_) |
static void |
tautomerParent__SWIG_0(long jarg1,
RWMol jarg1_,
long jarg2,
CleanupParameters jarg2_) |
static void |
tautomerParent__SWIG_1(long jarg1,
RWMol jarg1_) |
static boolean |
TDTMolSupplier_atEnd(long jarg1,
TDTMolSupplier jarg1_) |
static java.lang.String |
TDTMolSupplier_getItemText(long jarg1,
TDTMolSupplier jarg1_,
long jarg2) |
static void |
TDTMolSupplier_init(long jarg1,
TDTMolSupplier jarg1_) |
static long |
TDTMolSupplier_length(long jarg1,
TDTMolSupplier jarg1_) |
static void |
TDTMolSupplier_moveTo(long jarg1,
TDTMolSupplier jarg1_,
long jarg2) |
static long |
TDTMolSupplier_next(long jarg1,
TDTMolSupplier jarg1_) |
static void |
TDTMolSupplier_reset(long jarg1,
TDTMolSupplier jarg1_) |
static void |
TDTMolSupplier_setData__SWIG_0(long jarg1,
TDTMolSupplier jarg1_,
java.lang.String jarg2,
java.lang.String jarg3,
int jarg4,
int jarg5,
boolean jarg6) |
static void |
TDTMolSupplier_setData__SWIG_1(long jarg1,
TDTMolSupplier jarg1_,
java.lang.String jarg2,
java.lang.String jarg3,
int jarg4,
int jarg5) |
static void |
TDTMolSupplier_setData__SWIG_2(long jarg1,
TDTMolSupplier jarg1_,
java.lang.String jarg2,
java.lang.String jarg3,
int jarg4) |
static void |
TDTMolSupplier_setData__SWIG_3(long jarg1,
TDTMolSupplier jarg1_,
java.lang.String jarg2,
java.lang.String jarg3) |
static void |
TDTMolSupplier_setData__SWIG_4(long jarg1,
TDTMolSupplier jarg1_,
java.lang.String jarg2) |
static long |
TDTMolSupplier_SWIGUpcast(long jarg1) |
static void |
TDTWriter_close(long jarg1,
TDTWriter jarg1_) |
static void |
TDTWriter_flush(long jarg1,
TDTWriter jarg1_) |
static long |
TDTWriter_getNumDigits(long jarg1,
TDTWriter jarg1_) |
static boolean |
TDTWriter_getWrite2D(long jarg1,
TDTWriter jarg1_) |
static boolean |
TDTWriter_getWriteNames(long jarg1,
TDTWriter jarg1_) |
static long |
TDTWriter_numMols(long jarg1,
TDTWriter jarg1_) |
static void |
TDTWriter_setNumDigits(long jarg1,
TDTWriter jarg1_,
long jarg2) |
static void |
TDTWriter_setProps(long jarg1,
TDTWriter jarg1_,
long jarg2,
Str_Vect jarg2_) |
static void |
TDTWriter_setWrite2D__SWIG_0(long jarg1,
TDTWriter jarg1_,
boolean jarg2) |
static void |
TDTWriter_setWrite2D__SWIG_1(long jarg1,
TDTWriter jarg1_) |
static void |
TDTWriter_setWriteNames__SWIG_0(long jarg1,
TDTWriter jarg1_,
boolean jarg2) |
static void |
TDTWriter_setWriteNames__SWIG_1(long jarg1,
TDTWriter jarg1_) |
static long |
TDTWriter_SWIGUpcast(long jarg1) |
static void |
TDTWriter_write__SWIG_0(long jarg1,
TDTWriter jarg1_,
long jarg2,
ROMol jarg2_,
int jarg3) |
static void |
TDTWriter_write__SWIG_1(long jarg1,
TDTWriter jarg1_,
long jarg2,
ROMol jarg2_) |
static long |
TorsionAngleContrib_copy(long jarg1,
TorsionAngleContrib jarg1_) |
static double |
TorsionAngleContrib_getEnergy(long jarg1,
TorsionAngleContrib jarg1_,
long jarg2) |
static void |
TorsionAngleContrib_getGrad(long jarg1,
TorsionAngleContrib jarg1_,
long jarg2,
long jarg3) |
static void |
TorsionAngleContrib_scaleForceConstant(long jarg1,
TorsionAngleContrib jarg1_,
long jarg2) |
static long |
TorsionAngleContrib_SWIGSmartPtrUpcast(long jarg1) |
static long |
TPLDataStreamToMol__SWIG_0(long jarg1,
long jarg2,
boolean jarg3,
boolean jarg4) |
static long |
TPLDataStreamToMol__SWIG_1(long jarg1,
long jarg2,
boolean jarg3) |
static long |
TPLDataStreamToMol__SWIG_2(long jarg1,
long jarg2) |
static long |
TPLFileToMol__SWIG_0(java.lang.String jarg1,
boolean jarg2,
boolean jarg3) |
static long |
TPLFileToMol__SWIG_1(java.lang.String jarg1,
boolean jarg2) |
static long |
TPLFileToMol__SWIG_2(java.lang.String jarg1) |
static java.lang.String |
tpsaVersion_get() |
static long |
Trajectory_addConformersToMol__SWIG_0(long jarg1,
Trajectory jarg1_,
long jarg2,
ROMol jarg2_,
int jarg3,
int jarg4) |
static long |
Trajectory_addConformersToMol__SWIG_1(long jarg1,
Trajectory jarg1_,
long jarg2,
ROMol jarg2_,
int jarg3) |
static long |
Trajectory_addConformersToMol__SWIG_2(long jarg1,
Trajectory jarg1_,
long jarg2,
ROMol jarg2_) |
static long |
Trajectory_addSnapshot(long jarg1,
Trajectory jarg1_,
long jarg2,
Snapshot jarg2_) |
static void |
Trajectory_clear(long jarg1,
Trajectory jarg1_) |
static long |
Trajectory_dimension(long jarg1,
Trajectory jarg1_) |
static long |
Trajectory_getSnapshot(long jarg1,
Trajectory jarg1_,
long jarg2) |
static long |
Trajectory_insertSnapshot(long jarg1,
Trajectory jarg1_,
long jarg2,
long jarg3,
Snapshot jarg3_) |
static long |
Trajectory_numPoints(long jarg1,
Trajectory jarg1_) |
static long |
Trajectory_removeSnapshot(long jarg1,
Trajectory jarg1_,
long jarg2) |
static long |
Trajectory_size(long jarg1,
Trajectory jarg1_) |
static void |
Transform2D_setToIdentity(long jarg1,
Transform2D jarg1_) |
static void |
Transform2D_SetTransform__SWIG_0(long jarg1,
Transform2D jarg1_,
long jarg2,
Point2D jarg2_,
long jarg3,
Point2D jarg3_,
long jarg4,
Point2D jarg4_,
long jarg5,
Point2D jarg5_) |
static void |
Transform2D_SetTransform__SWIG_1(long jarg1,
Transform2D jarg1_,
long jarg2,
Point2D jarg2_,
double jarg3) |
static void |
Transform2D_SetTranslation(long jarg1,
Transform2D jarg1_,
long jarg2,
Point2D jarg2_) |
static long |
Transform2D_SWIGUpcast(long jarg1) |
static void |
Transform2D_TransformPoint(long jarg1,
Transform2D jarg1_,
long jarg2,
Point2D jarg2_) |
static void |
Transform3D_Reflect(long jarg1,
Transform3D jarg1_) |
static void |
Transform3D_SetRotation__SWIG_0(long jarg1,
Transform3D jarg1_,
double jarg2,
int jarg3) |
static void |
Transform3D_SetRotation__SWIG_1(long jarg1,
Transform3D jarg1_,
double jarg2,
long jarg3,
Point3D jarg3_) |
static void |
Transform3D_SetRotation__SWIG_2(long jarg1,
Transform3D jarg1_,
double jarg2,
double jarg3,
long jarg4,
Point3D jarg4_) |
static void |
Transform3D_SetRotationFromQuaternion(long jarg1,
Transform3D jarg1_,
long jarg2) |
static void |
Transform3D_setToIdentity(long jarg1,
Transform3D jarg1_) |
static void |
Transform3D_SetTranslation(long jarg1,
Transform3D jarg1_,
long jarg2,
Point3D jarg2_) |
static long |
Transform3D_SWIGUpcast(long jarg1) |
static void |
Transform3D_TransformPoint(long jarg1,
Transform3D jarg1_,
long jarg2,
Point3D jarg2_) |
static void |
transformAtom(long jarg1,
Atom jarg1_,
long jarg2,
Transform3D jarg2_) |
static void |
transformConformer(long jarg1,
Conformer jarg1_,
long jarg2,
Transform3D jarg2_) |
static void |
transformMolsAtoms(long jarg1,
ROMol jarg1_,
long jarg2,
Transform3D jarg2_) |
static boolean |
triangleSmoothBounds__SWIG_0(long jarg1,
BoundsMatrix jarg1_,
double jarg2) |
static boolean |
triangleSmoothBounds__SWIG_1(long jarg1,
BoundsMatrix jarg1_) |
static boolean |
triangleSmoothBounds__SWIG_2(long jarg1,
double jarg2) |
static boolean |
triangleSmoothBounds__SWIG_3(long jarg1) |
static double |
TverskySimilarity__SWIG_10(long jarg1,
SparseIntVect64 jarg1_,
long jarg2,
SparseIntVect64 jarg2_,
double jarg3,
double jarg4,
boolean jarg5) |
static double |
TverskySimilarity__SWIG_11(long jarg1,
SparseIntVect64 jarg1_,
long jarg2,
SparseIntVect64 jarg2_,
double jarg3,
double jarg4) |
static double |
TverskySimilarity__SWIG_3(long jarg1,
SparseIntVectu32 jarg1_,
long jarg2,
SparseIntVectu32 jarg2_,
double jarg3,
double jarg4,
boolean jarg5,
double jarg6) |
static double |
TverskySimilarity__SWIG_4(long jarg1,
SparseIntVectu32 jarg1_,
long jarg2,
SparseIntVectu32 jarg2_,
double jarg3,
double jarg4,
boolean jarg5) |
static double |
TverskySimilarity__SWIG_5(long jarg1,
SparseIntVectu32 jarg1_,
long jarg2,
SparseIntVectu32 jarg2_,
double jarg3,
double jarg4) |
static double |
TverskySimilarity__SWIG_6(long jarg1,
SparseIntVect32 jarg1_,
long jarg2,
SparseIntVect32 jarg2_,
double jarg3,
double jarg4,
boolean jarg5,
double jarg6) |
static double |
TverskySimilarity__SWIG_7(long jarg1,
SparseIntVect32 jarg1_,
long jarg2,
SparseIntVect32 jarg2_,
double jarg3,
double jarg4,
boolean jarg5) |
static double |
TverskySimilarity__SWIG_8(long jarg1,
SparseIntVect32 jarg1_,
long jarg2,
SparseIntVect32 jarg2_,
double jarg3,
double jarg4) |
static double |
TverskySimilarity__SWIG_9(long jarg1,
SparseIntVect64 jarg1_,
long jarg2,
SparseIntVect64 jarg2_,
double jarg3,
double jarg4,
boolean jarg5,
double jarg6) |
static double |
TverskySimilarity(long jarg1,
ExplicitBitVect jarg1_,
long jarg2,
ExplicitBitVect jarg2_,
double jarg3,
double jarg4) |
static java.lang.String |
TWOD_get() |
static void |
UChar_Vect_add(long jarg1,
UChar_Vect jarg1_,
short jarg2) |
static long |
UChar_Vect_capacity(long jarg1,
UChar_Vect jarg1_) |
static void |
UChar_Vect_clear(long jarg1,
UChar_Vect jarg1_) |
static boolean |
UChar_Vect_equals(long jarg1,
UChar_Vect jarg1_,
long jarg2,
UChar_Vect jarg2_) |
static short |
UChar_Vect_get(long jarg1,
UChar_Vect jarg1_,
int jarg2) |
static boolean |
UChar_Vect_isEmpty(long jarg1,
UChar_Vect jarg1_) |
static void |
UChar_Vect_reserve(long jarg1,
UChar_Vect jarg1_,
long jarg2) |
static void |
UChar_Vect_set(long jarg1,
UChar_Vect jarg1_,
int jarg2,
short jarg3) |
static long |
UChar_Vect_size(long jarg1,
UChar_Vect jarg1_) |
static double |
UFFAngle_ka_get(long jarg1,
UFFAngle jarg1_) |
static void |
UFFAngle_ka_set(long jarg1,
UFFAngle jarg1_,
double jarg2) |
static double |
UFFAngle_theta0_get(long jarg1,
UFFAngle jarg1_) |
static void |
UFFAngle_theta0_set(long jarg1,
UFFAngle jarg1_,
double jarg2) |
static double |
UFFBond_kb_get(long jarg1,
UFFBond jarg1_) |
static void |
UFFBond_kb_set(long jarg1,
UFFBond jarg1_,
double jarg2) |
static double |
UFFBond_r0_get(long jarg1,
UFFBond jarg1_) |
static void |
UFFBond_r0_set(long jarg1,
UFFBond jarg1_,
double jarg2) |
static double |
UFFInv_K_get(long jarg1,
UFFInv jarg1_) |
static void |
UFFInv_K_set(long jarg1,
UFFInv jarg1_,
double jarg2) |
static double |
UFFTor_V_get(long jarg1,
UFFTor jarg1_) |
static void |
UFFTor_V_set(long jarg1,
UFFTor jarg1_,
double jarg2) |
static double |
UFFVdW_D_ij_get(long jarg1,
UFFVdW jarg1_) |
static void |
UFFVdW_D_ij_set(long jarg1,
UFFVdW jarg1_,
double jarg2) |
static double |
UFFVdW_x_ij_get(long jarg1,
UFFVdW jarg1_) |
static void |
UFFVdW_x_ij_set(long jarg1,
UFFVdW jarg1_,
double jarg2) |
static void |
UInt_List_add(long jarg1,
UInt_List jarg1_,
long jarg2) |
static void |
UInt_List_clear(long jarg1,
UInt_List jarg1_) |
static boolean |
UInt_List_equals(long jarg1,
UInt_List jarg1_,
long jarg2,
UInt_List jarg2_) |
static long |
UInt_List_get(long jarg1,
UInt_List jarg1_,
int jarg2) |
static boolean |
UInt_List_isEmpty(long jarg1,
UInt_List jarg1_) |
static long |
UInt_List_size(long jarg1,
UInt_List jarg1_) |
static long |
UInt_Pair_first_get(long jarg1,
UInt_Pair jarg1_) |
static void |
UInt_Pair_first_set(long jarg1,
UInt_Pair jarg1_,
long jarg2) |
static int |
UInt_Pair_second_get(long jarg1,
UInt_Pair jarg1_) |
static void |
UInt_Pair_second_set(long jarg1,
UInt_Pair jarg1_,
int jarg2) |
static void |
UInt_Pair_Vect_add(long jarg1,
UInt_Pair_Vect jarg1_,
long jarg2,
UInt_Pair jarg2_) |
static long |
UInt_Pair_Vect_capacity(long jarg1,
UInt_Pair_Vect jarg1_) |
static void |
UInt_Pair_Vect_clear(long jarg1,
UInt_Pair_Vect jarg1_) |
static boolean |
UInt_Pair_Vect_equals(long jarg1,
UInt_Pair_Vect jarg1_,
long jarg2,
UInt_Pair_Vect jarg2_) |
static long |
UInt_Pair_Vect_get(long jarg1,
UInt_Pair_Vect jarg1_,
int jarg2) |
static boolean |
UInt_Pair_Vect_isEmpty(long jarg1,
UInt_Pair_Vect jarg1_) |
static void |
UInt_Pair_Vect_reserve(long jarg1,
UInt_Pair_Vect jarg1_,
long jarg2) |
static void |
UInt_Pair_Vect_set(long jarg1,
UInt_Pair_Vect jarg1_,
int jarg2,
long jarg3,
UInt_Pair jarg3_) |
static long |
UInt_Pair_Vect_size(long jarg1,
UInt_Pair_Vect jarg1_) |
static void |
UInt_Vect_add(long jarg1,
UInt_Vect jarg1_,
long jarg2) |
static long |
UInt_Vect_capacity(long jarg1,
UInt_Vect jarg1_) |
static void |
UInt_Vect_clear(long jarg1,
UInt_Vect jarg1_) |
static boolean |
UInt_Vect_equals(long jarg1,
UInt_Vect jarg1_,
long jarg2,
UInt_Vect jarg2_) |
static long |
UInt_Vect_get(long jarg1,
UInt_Vect jarg1_,
int jarg2) |
static boolean |
UInt_Vect_isEmpty(long jarg1,
UInt_Vect jarg1_) |
static void |
UInt_Vect_reserve(long jarg1,
UInt_Vect jarg1_,
long jarg2) |
static void |
UInt_Vect_set(long jarg1,
UInt_Vect jarg1_,
int jarg2,
long jarg3) |
static long |
UInt_Vect_size(long jarg1,
UInt_Vect jarg1_) |
static void |
UIntMolMap_clear(long jarg1,
UIntMolMap jarg1_) |
static void |
UIntMolMap_del(long jarg1,
UIntMolMap jarg1_,
long jarg2) |
static boolean |
UIntMolMap_empty(long jarg1,
UIntMolMap jarg1_) |
static long |
UIntMolMap_get(long jarg1,
UIntMolMap jarg1_,
long jarg2) |
static boolean |
UIntMolMap_has_key(long jarg1,
UIntMolMap jarg1_,
long jarg2) |
static void |
UIntMolMap_set(long jarg1,
UIntMolMap jarg1_,
long jarg2,
long jarg3,
ROMol jarg3_) |
static long |
UIntMolMap_size(long jarg1,
UIntMolMap jarg1_) |
static long |
UIntPair_first_get(long jarg1,
UIntPair jarg1_) |
static void |
UIntPair_first_set(long jarg1,
UIntPair jarg1_,
long jarg2) |
static long |
UIntPair_second_get(long jarg1,
UIntPair jarg1_) |
static void |
UIntPair_second_set(long jarg1,
UIntPair jarg1_,
long jarg2) |
static void |
UIntPairVect_add(long jarg1,
UIntPairVect jarg1_,
long jarg2,
UIntPair jarg2_) |
static long |
UIntPairVect_capacity(long jarg1,
UIntPairVect jarg1_) |
static void |
UIntPairVect_clear(long jarg1,
UIntPairVect jarg1_) |
static boolean |
UIntPairVect_equals(long jarg1,
UIntPairVect jarg1_,
long jarg2,
UIntPairVect jarg2_) |
static long |
UIntPairVect_get(long jarg1,
UIntPairVect jarg1_,
int jarg2) |
static boolean |
UIntPairVect_isEmpty(long jarg1,
UIntPairVect jarg1_) |
static void |
UIntPairVect_reserve(long jarg1,
UIntPairVect jarg1_,
long jarg2) |
static void |
UIntPairVect_set(long jarg1,
UIntPairVect jarg1_,
int jarg2,
long jarg3,
UIntPair jarg3_) |
static long |
UIntPairVect_size(long jarg1,
UIntPairVect jarg1_) |
static void |
Union__SWIG_0(long jarg1,
Int_Vect jarg1_,
long jarg2,
Int_Vect jarg2_,
long jarg3,
Int_Vect jarg3_) |
static void |
Union__SWIG_1(long jarg1,
Int_Vect_Vect jarg1_,
long jarg2,
Int_Vect jarg2_,
long jarg3,
Int_Vect jarg3_) |
static void |
Union__SWIG_2(long jarg1,
Int_Vect_Vect jarg1_,
long jarg2,
Int_Vect jarg2_) |
static long |
uniquifyPaths__SWIG_0(long jarg1,
ROMol jarg1_,
long jarg2,
Int_Vect_List jarg2_,
boolean jarg3) |
static long |
uniquifyPaths__SWIG_1(long jarg1,
ROMol jarg1_,
long jarg2,
Int_Vect_List jarg2_) |
static void |
UpdateBitVectFromFPSText(long jarg1,
ExplicitBitVect jarg1_,
java.lang.String jarg2) |
static void |
updateDrawerParamsFromJSON__SWIG_0(long jarg1,
MolDraw2D jarg1_,
java.lang.String jarg2) |
static java.lang.String |
ValueErrorException_message(long jarg1,
ValueErrorException jarg1_) |
static long |
vdWContrib_copy(long jarg1,
vdWContrib jarg1_) |
static double |
vdWContrib_getEnergy(long jarg1,
vdWContrib jarg1_,
long jarg2) |
static void |
vdWContrib_getGrad(long jarg1,
vdWContrib jarg1_,
long jarg2,
long jarg3) |
static long |
vdWContrib_SWIGSmartPtrUpcast(long jarg1) |
static int |
versionMajor_get() |
static int |
versionMinor_get() |
static int |
versionPatch_get() |
static int |
WHITE_NODE_get() |
public static final long new_Double_Array(int jarg1)
public static final void delete_Double_Array(long jarg1)
public static final double Double_Array_getitem(long jarg1, Double_Array jarg1_, int jarg2)
public static final void Double_Array_setitem(long jarg1, Double_Array jarg1_, int jarg2, double jarg3)
public static final long Double_Array_cast(long jarg1, Double_Array jarg1_)
public static final long Double_Array_frompointer(long jarg1)
public static final long new_IndexErrorException(int jarg1)
public static final int IndexErrorException_index(long jarg1, IndexErrorException jarg1_)
public static final void delete_IndexErrorException(long jarg1)
public static final long new_ValueErrorException__SWIG_0(java.lang.String jarg1)
public static final java.lang.String ValueErrorException_message(long jarg1, ValueErrorException jarg1_)
public static final void delete_ValueErrorException(long jarg1)
public static final long new_KeyErrorException(java.lang.String jarg1)
public static final java.lang.String KeyErrorException_key(long jarg1, KeyErrorException jarg1_)
public static final void delete_KeyErrorException(long jarg1)
public static final java.lang.String KeyErrorException_message(long jarg1, KeyErrorException jarg1_)
public static final long new_GenericRDKitException__SWIG_0(java.lang.String jarg1)
public static final java.lang.String GenericRDKitException_message(long jarg1, GenericRDKitException jarg1_)
public static final void delete_GenericRDKitException(long jarg1)
public static final double M_PI_get()
public static final void delete_Point(long jarg1)
public static final void Point_normalize(long jarg1, Point jarg1_)
public static final double Point_length(long jarg1, Point jarg1_)
public static final double Point_lengthSq(long jarg1, Point jarg1_)
public static final long Point_dimension(long jarg1, Point jarg1_)
public static final long Point_copy(long jarg1, Point jarg1_)
public static final void Point3D_x_set(long jarg1, Point3D jarg1_, double jarg2)
public static final double Point3D_x_get(long jarg1, Point3D jarg1_)
public static final void Point3D_y_set(long jarg1, Point3D jarg1_, double jarg2)
public static final double Point3D_y_get(long jarg1, Point3D jarg1_)
public static final void Point3D_z_set(long jarg1, Point3D jarg1_, double jarg2)
public static final double Point3D_z_get(long jarg1, Point3D jarg1_)
public static final long new_Point3D__SWIG_0()
public static final long new_Point3D__SWIG_1(double jarg1, double jarg2, double jarg3)
public static final void delete_Point3D(long jarg1)
public static final long new_Point3D__SWIG_2(long jarg1, Point3D jarg1_)
public static final long Point3D_copy(long jarg1, Point3D jarg1_)
public static final long Point3D_dimension(long jarg1, Point3D jarg1_)
public static final void Point3D_normalize(long jarg1, Point3D jarg1_)
public static final double Point3D_length(long jarg1, Point3D jarg1_)
public static final double Point3D_lengthSq(long jarg1, Point3D jarg1_)
public static final double Point3D_dotProduct(long jarg1, Point3D jarg1_, long jarg2, Point3D jarg2_)
public static final double Point3D_angleTo(long jarg1, Point3D jarg1_, long jarg2, Point3D jarg2_)
public static final double Point3D_signedAngleTo(long jarg1, Point3D jarg1_, long jarg2, Point3D jarg2_)
public static final long Point3D_directionVector(long jarg1, Point3D jarg1_, long jarg2, Point3D jarg2_)
public static final long Point3D_crossProduct(long jarg1, Point3D jarg1_, long jarg2, Point3D jarg2_)
public static final long Point3D_getPerpendicular(long jarg1, Point3D jarg1_)
public static final long Point3D_minus(long jarg1, Point3D jarg1_, long jarg2, Point3D jarg2_)
public static final double computeDihedralAngle(long jarg1, Point3D jarg1_, long jarg2, Point3D jarg2_, long jarg3, Point3D jarg3_, long jarg4, Point3D jarg4_)
public static final double computeSignedDihedralAngle(long jarg1, Point3D jarg1_, long jarg2, Point3D jarg2_, long jarg3, Point3D jarg3_, long jarg4, Point3D jarg4_)
public static final void Point2D_x_set(long jarg1, Point2D jarg1_, double jarg2)
public static final double Point2D_x_get(long jarg1, Point2D jarg1_)
public static final void Point2D_y_set(long jarg1, Point2D jarg1_, double jarg2)
public static final double Point2D_y_get(long jarg1, Point2D jarg1_)
public static final long new_Point2D__SWIG_0()
public static final long new_Point2D__SWIG_1(double jarg1, double jarg2)
public static final void delete_Point2D(long jarg1)
public static final long new_Point2D__SWIG_2(long jarg1, Point2D jarg1_)
public static final long new_Point2D__SWIG_3(long jarg1, Point3D jarg1_)
public static final long Point2D_copy(long jarg1, Point2D jarg1_)
public static final long Point2D_dimension(long jarg1, Point2D jarg1_)
public static final void Point2D_normalize(long jarg1, Point2D jarg1_)
public static final void Point2D_rotate90(long jarg1, Point2D jarg1_)
public static final double Point2D_length(long jarg1, Point2D jarg1_)
public static final double Point2D_lengthSq(long jarg1, Point2D jarg1_)
public static final double Point2D_dotProduct(long jarg1, Point2D jarg1_, long jarg2, Point2D jarg2_)
public static final double Point2D_angleTo(long jarg1, Point2D jarg1_, long jarg2, Point2D jarg2_)
public static final double Point2D_signedAngleTo(long jarg1, Point2D jarg1_, long jarg2, Point2D jarg2_)
public static final long Point2D_directionVector(long jarg1, Point2D jarg1_, long jarg2, Point2D jarg2_)
public static final long Point2D_minus(long jarg1, Point2D jarg1_, long jarg2, Point2D jarg2_)
public static final long new_PointND__SWIG_0(long jarg1)
public static final long new_PointND__SWIG_1(long jarg1, PointND jarg1_)
public static final long PointND_copy(long jarg1, PointND jarg1_)
public static final void delete_PointND(long jarg1)
public static final void PointND_normalize(long jarg1, PointND jarg1_)
public static final double PointND_length(long jarg1, PointND jarg1_)
public static final double PointND_lengthSq(long jarg1, PointND jarg1_)
public static final long PointND_dimension(long jarg1, PointND jarg1_)
public static final long PointND_directionVector(long jarg1, PointND jarg1_, long jarg2, PointND jarg2_)
public static final double PointND_dotProduct(long jarg1, PointND jarg1_, long jarg2, PointND jarg2_)
public static final double PointND_angleTo(long jarg1, PointND jarg1_, long jarg2, PointND jarg2_)
public static final java.lang.String computedPropName_get()
public static final java.lang.String _Name_get()
public static final java.lang.String MolFileInfo_get()
public static final java.lang.String MolFileComments_get()
public static final java.lang.String _2DConf_get()
public static final java.lang.String _3DConf_get()
public static final java.lang.String _doIsoSmiles_get()
public static final java.lang.String extraRings_get()
public static final java.lang.String _smilesAtomOutputOrder_get()
public static final java.lang.String _StereochemDone_get()
public static final java.lang.String _NeedsQueryScan_get()
public static final java.lang.String _fragSMARTS_get()
public static final java.lang.String maxAttachIdx_get()
public static final java.lang.String origNoImplicit_get()
public static final java.lang.String ringMembership_get()
public static final java.lang.String _connectivityHKDeltas_get()
public static final java.lang.String _connectivityNVals_get()
public static final java.lang.String _crippenLogP_get()
public static final java.lang.String _crippenLogPContribs_get()
public static final java.lang.String _crippenMR_get()
public static final java.lang.String _crippenMRContribs_get()
public static final java.lang.String _labuteASA_get()
public static final java.lang.String _labuteAtomContribs_get()
public static final java.lang.String _labuteAtomHContrib_get()
public static final java.lang.String _tpsa_get()
public static final java.lang.String _tpsaAtomContribs_get()
public static final java.lang.String numArom_get()
public static final java.lang.String _MMFFSanitized_get()
public static final java.lang.String _CrippenLogP_get()
public static final java.lang.String _CrippenMR_get()
public static final java.lang.String _GasteigerCharge_get()
public static final java.lang.String _GasteigerHCharge_get()
public static final java.lang.String _BondsPotentialStereo_get()
public static final java.lang.String _CIPCode_get()
public static final java.lang.String _CIPRank_get()
public static final java.lang.String _ChiralityPossible_get()
public static final java.lang.String _UnknownStereo_get()
public static final java.lang.String _ringStereoAtoms_get()
public static final java.lang.String _ringStereochemCand_get()
public static final java.lang.String _ringStereoWarning_get()
public static final java.lang.String _SmilesStart_get()
public static final java.lang.String _TraversalBondIndexOrder_get()
public static final java.lang.String _TraversalRingClosureBond_get()
public static final java.lang.String _TraversalStartPoint_get()
public static final java.lang.String _queryRootAtom_get()
public static final java.lang.String _hasMassQuery_get()
public static final java.lang.String _protected_get()
public static final java.lang.String _supplementalSmilesLabel_get()
public static final java.lang.String _unspecifiedOrder_get()
public static final java.lang.String _RingClosures_get()
public static final java.lang.String atomLabel_get()
public static final java.lang.String molAtomMapNumber_get()
public static final java.lang.String molFileAlias_get()
public static final java.lang.String molFileValue_get()
public static final java.lang.String molInversionFlag_get()
public static final java.lang.String molParity_get()
public static final java.lang.String molRxnComponent_get()
public static final java.lang.String molRxnRole_get()
public static final java.lang.String molTotValence_get()
public static final java.lang.String _MolFileRLabel_get()
public static final java.lang.String _MolFileChiralFlag_get()
public static final java.lang.String _MolFileAtomQuery_get()
public static final java.lang.String _MolFileBondQuery_get()
public static final java.lang.String _MolFileBondEndPts_get()
public static final java.lang.String _MolFileBondAttach_get()
public static final java.lang.String _MolFileBondType_get()
public static final java.lang.String _MolFileBondStereo_get()
public static final java.lang.String _MolFileBondCfg_get()
public static final java.lang.String MRV_SMA_get()
public static final java.lang.String dummyLabel_get()
public static final java.lang.String _QueryFormalCharge_get()
public static final java.lang.String _QueryHCount_get()
public static final java.lang.String _QueryIsotope_get()
public static final java.lang.String _QueryMass_get()
public static final java.lang.String _ReactionDegreeChanged_get()
public static final java.lang.String NullBond_get()
public static final java.lang.String _rgroupAtomMaps_get()
public static final java.lang.String _rgroupBonds_get()
public static final java.lang.String reactantAtomIdx_get()
public static final java.lang.String reactionMapNum_get()
public static final java.lang.String _AtomID_get()
public static final java.lang.String _starred_get()
public static final java.lang.String _SLN_s_get()
public static final java.lang.String _Unfinished_SLN__get()
public static final java.lang.String _brokenChirality_get()
public static final java.lang.String isImplicit_get()
public static final java.lang.String smilesSymbol_get()
public static final java.lang.String _TriposAtomType_get()
public static final java.lang.String TWOD_get()
public static final java.lang.String BalabanJ_get()
public static final java.lang.String BalanbanJ_get()
public static final java.lang.String Discrims_get()
public static final java.lang.String DistanceMatrix_Paths_get()
public static final java.lang.String internalRgroupSmiles_get()
public static final double MAX_DOUBLE_get()
public static final double EPS_DOUBLE_get()
public static final double SMALL_DOUBLE_get()
public static final double MAX_INT_get()
public static final double MAX_LONGINT_get()
public static final long new_ltDouble()
public static final void delete_ltDouble(long jarg1)
public static final long new_charptr_functor()
public static final void delete_charptr_functor(long jarg1)
public static final void Union__SWIG_0(long jarg1, Int_Vect jarg1_, long jarg2, Int_Vect jarg2_, long jarg3, Int_Vect jarg3_)
public static final void Intersect(long jarg1, Int_Vect jarg1_, long jarg2, Int_Vect jarg2_, long jarg3, Int_Vect jarg3_)
public static final void Union__SWIG_1(long jarg1, Int_Vect_Vect jarg1_, long jarg2, Int_Vect jarg2_, long jarg3, Int_Vect jarg3_)
public static final void Union__SWIG_2(long jarg1, Int_Vect_Vect jarg1_, long jarg2, Int_Vect jarg2_)
public static final int nextCombination(long jarg1, Int_Vect jarg1_, int jarg2)
public static final double round(double jarg1)
public static final long new_ConformerException__SWIG_0(java.lang.String jarg1)
public static final java.lang.String ConformerException_message(long jarg1, ConformerException jarg1_)
public static final void delete_ConformerException(long jarg1)
public static final long new_Conformer__SWIG_0()
public static final long new_Conformer__SWIG_1(long jarg1)
public static final long new_Conformer__SWIG_2(long jarg1, Conformer jarg1_)
public static final void delete_Conformer(long jarg1)
public static final void Conformer_resize(long jarg1, Conformer jarg1_, long jarg2)
public static final void Conformer_reserve(long jarg1, Conformer jarg1_, long jarg2)
public static final boolean Conformer_hasOwningMol(long jarg1, Conformer jarg1_)
public static final long Conformer_getOwningMol(long jarg1, Conformer jarg1_)
public static final long Conformer_getPositions__SWIG_0(long jarg1, Conformer jarg1_)
public static final long Conformer_getAtomPos__SWIG_0(long jarg1, Conformer jarg1_, long jarg2)
public static final void Conformer_setAtomPos(long jarg1, Conformer jarg1_, long jarg2, long jarg3, Point3D jarg3_)
public static final long Conformer_getId(long jarg1, Conformer jarg1_)
public static final void Conformer_setId(long jarg1, Conformer jarg1_, long jarg2)
public static final long Conformer_getNumAtoms(long jarg1, Conformer jarg1_)
public static final boolean Conformer_is3D(long jarg1, Conformer jarg1_)
public static final void Conformer_set3D(long jarg1, Conformer jarg1_, boolean jarg2)
public static final long Conformer_computeCentroid__SWIG_0(long jarg1, Conformer jarg1_, boolean jarg2)
public static final long Conformer_computeCentroid__SWIG_1(long jarg1, Conformer jarg1_)
public static final long Conformer_computeCanonicalTransform__SWIG_0(long jarg1, Conformer jarg1_, long jarg2, Point3D jarg2_, boolean jarg3, boolean jarg4)
public static final long Conformer_computeCanonicalTransform__SWIG_1(long jarg1, Conformer jarg1_, long jarg2, Point3D jarg2_, boolean jarg3)
public static final long Conformer_computeCanonicalTransform__SWIG_2(long jarg1, Conformer jarg1_, long jarg2, Point3D jarg2_)
public static final long Conformer_computeCanonicalTransform__SWIG_3(long jarg1, Conformer jarg1_)
public static final void Conformer_transformConformer(long jarg1, Conformer jarg1_, long jarg2, Transform3D jarg2_)
public static final void Conformer_canonicalizeConformer__SWIG_0(long jarg1, Conformer jarg1_, long jarg2, Point3D jarg2_, boolean jarg3, boolean jarg4)
public static final void Conformer_canonicalizeConformer__SWIG_1(long jarg1, Conformer jarg1_, long jarg2, Point3D jarg2_, boolean jarg3)
public static final void Conformer_canonicalizeConformer__SWIG_2(long jarg1, Conformer jarg1_, long jarg2, Point3D jarg2_)
public static final void Conformer_canonicalizeConformer__SWIG_3(long jarg1, Conformer jarg1_)
public static final boolean hasNonZeroZCoords(long jarg1, Conformer jarg1_)
public static final long new_Dict__SWIG_0()
public static final long new_Dict__SWIG_1(long jarg1, Dict jarg1_)
public static final void delete_Dict(long jarg1)
public static final void Dict_update__SWIG_0(long jarg1, Dict jarg1_, long jarg2, Dict jarg2_, boolean jarg3)
public static final void Dict_update__SWIG_1(long jarg1, Dict jarg1_, long jarg2, Dict jarg2_)
public static final long Dict_getNonPODStatus(long jarg1, Dict jarg1_)
public static final long Dict_getData__SWIG_0(long jarg1, Dict jarg1_)
public static final boolean Dict_hasVal(long jarg1, Dict jarg1_, java.lang.String jarg2)
public static final long Dict_keys(long jarg1, Dict jarg1_)
public static final void Dict_getVal(long jarg1, Dict jarg1_, java.lang.String jarg2, long jarg3)
public static final boolean Dict_getValIfPresent(long jarg1, Dict jarg1_, java.lang.String jarg2, long jarg3)
public static final void Dict_setVal__SWIG_1(long jarg1, Dict jarg1_, java.lang.String jarg2, boolean jarg3)
public static final void Dict_setVal__SWIG_2(long jarg1, Dict jarg1_, java.lang.String jarg2, double jarg3)
public static final void Dict_setVal__SWIG_3(long jarg1, Dict jarg1_, java.lang.String jarg2, float jarg3)
public static final void Dict_setVal__SWIG_4(long jarg1, Dict jarg1_, java.lang.String jarg2, int jarg3)
public static final void Dict_setVal__SWIG_5(long jarg1, Dict jarg1_, java.lang.String jarg2, long jarg3)
public static final void Dict_setVal__SWIG_6(long jarg1, Dict jarg1_, java.lang.String jarg2, java.lang.String jarg3)
public static final void Dict_clearVal(long jarg1, Dict jarg1_, java.lang.String jarg2)
public static final void Dict_reset(long jarg1, Dict jarg1_)
public static final long new_RDProps__SWIG_0()
public static final long new_RDProps__SWIG_1(long jarg1, RDProps jarg1_)
public static final void RDProps_clear(long jarg1, RDProps jarg1_)
public static final long RDProps_getDict__SWIG_0(long jarg1, RDProps jarg1_)
public static final long RDProps_getPropList__SWIG_0(long jarg1, RDProps jarg1_, boolean jarg2, boolean jarg3)
public static final long RDProps_getPropList__SWIG_1(long jarg1, RDProps jarg1_, boolean jarg2)
public static final long RDProps_getPropList__SWIG_2(long jarg1, RDProps jarg1_)
public static final boolean RDProps_hasProp(long jarg1, RDProps jarg1_, java.lang.String jarg2)
public static final void RDProps_clearProp(long jarg1, RDProps jarg1_, java.lang.String jarg2)
public static final void RDProps_clearComputedProps(long jarg1, RDProps jarg1_)
public static final void RDProps_updateProps__SWIG_0(long jarg1, RDProps jarg1_, long jarg2, RDProps jarg2_, boolean jarg3)
public static final void RDProps_updateProps__SWIG_1(long jarg1, RDProps jarg1_, long jarg2, RDProps jarg2_)
public static final void RDProps_setProp__SWIG_2(long jarg1, RDProps jarg1_, java.lang.String jarg2, java.lang.String jarg3, boolean jarg4)
public static final void RDProps_setProp__SWIG_3(long jarg1, RDProps jarg1_, java.lang.String jarg2, java.lang.String jarg3)
public static final void delete_RDProps(long jarg1)
public static final int StereoGroupType_STEREO_ABSOLUTE_get()
public static final int StereoGroupType_STEREO_OR_get()
public static final int StereoGroupType_STEREO_AND_get()
public static final long new_StereoGroup__SWIG_0()
public static final long new_StereoGroup__SWIG_1(int jarg1, long jarg2, Atom_Vect jarg2_)
public static final int StereoGroup_getGroupType(long jarg1, StereoGroup jarg1_)
public static final long StereoGroup_getAtoms(long jarg1, StereoGroup jarg1_)
public static final void delete_StereoGroup(long jarg1)
public static final void removeGroupsWithAtom(long jarg1, Atom jarg1_, long jarg2, StereoGroup_Vect jarg2_)
public static final void removeGroupsWithAtoms(long jarg1, Atom_Vect jarg1_, long jarg2, StereoGroup_Vect jarg2_)
public static final long new_ROMol_Vect__SWIG_0()
public static final long new_ROMol_Vect__SWIG_1(long jarg1)
public static final long ROMol_Vect_size(long jarg1, ROMol_Vect jarg1_)
public static final long ROMol_Vect_capacity(long jarg1, ROMol_Vect jarg1_)
public static final void ROMol_Vect_reserve(long jarg1, ROMol_Vect jarg1_, long jarg2)
public static final boolean ROMol_Vect_isEmpty(long jarg1, ROMol_Vect jarg1_)
public static final void ROMol_Vect_clear(long jarg1, ROMol_Vect jarg1_)
public static final void ROMol_Vect_add(long jarg1, ROMol_Vect jarg1_, long jarg2, ROMol jarg2_)
public static final long ROMol_Vect_get(long jarg1, ROMol_Vect jarg1_, int jarg2)
public static final void ROMol_Vect_set(long jarg1, ROMol_Vect jarg1_, int jarg2, long jarg3, ROMol jarg3_)
public static final boolean ROMol_Vect_equals(long jarg1, ROMol_Vect jarg1_, long jarg2, ROMol_Vect jarg2_)
public static final void delete_ROMol_Vect(long jarg1)
public static final long new_ROMol_Vect_Vect__SWIG_0()
public static final long new_ROMol_Vect_Vect__SWIG_1(long jarg1)
public static final long ROMol_Vect_Vect_size(long jarg1, ROMol_Vect_Vect jarg1_)
public static final long ROMol_Vect_Vect_capacity(long jarg1, ROMol_Vect_Vect jarg1_)
public static final void ROMol_Vect_Vect_reserve(long jarg1, ROMol_Vect_Vect jarg1_, long jarg2)
public static final boolean ROMol_Vect_Vect_isEmpty(long jarg1, ROMol_Vect_Vect jarg1_)
public static final void ROMol_Vect_Vect_clear(long jarg1, ROMol_Vect_Vect jarg1_)
public static final void ROMol_Vect_Vect_add(long jarg1, ROMol_Vect_Vect jarg1_, long jarg2, ROMol_Vect jarg2_)
public static final long ROMol_Vect_Vect_get(long jarg1, ROMol_Vect_Vect jarg1_, int jarg2)
public static final void ROMol_Vect_Vect_set(long jarg1, ROMol_Vect_Vect jarg1_, int jarg2, long jarg3, ROMol_Vect jarg3_)
public static final boolean ROMol_Vect_Vect_equals(long jarg1, ROMol_Vect_Vect jarg1_, long jarg2, ROMol_Vect_Vect jarg2_)
public static final void delete_ROMol_Vect_Vect(long jarg1)
public static final long new_Atom_Vect__SWIG_0()
public static final long new_Atom_Vect__SWIG_1(long jarg1)
public static final long Atom_Vect_size(long jarg1, Atom_Vect jarg1_)
public static final long Atom_Vect_capacity(long jarg1, Atom_Vect jarg1_)
public static final void Atom_Vect_reserve(long jarg1, Atom_Vect jarg1_, long jarg2)
public static final boolean Atom_Vect_isEmpty(long jarg1, Atom_Vect jarg1_)
public static final void Atom_Vect_clear(long jarg1, Atom_Vect jarg1_)
public static final void Atom_Vect_add(long jarg1, Atom_Vect jarg1_, long jarg2, Atom jarg2_)
public static final long Atom_Vect_get(long jarg1, Atom_Vect jarg1_, int jarg2)
public static final void Atom_Vect_set(long jarg1, Atom_Vect jarg1_, int jarg2, long jarg3, Atom jarg3_)
public static final boolean Atom_Vect_equals(long jarg1, Atom_Vect jarg1_, long jarg2, Atom_Vect jarg2_)
public static final void delete_Atom_Vect(long jarg1)
public static final long new_StereoGroup_Vect__SWIG_0()
public static final long new_StereoGroup_Vect__SWIG_1(long jarg1)
public static final long StereoGroup_Vect_size(long jarg1, StereoGroup_Vect jarg1_)
public static final long StereoGroup_Vect_capacity(long jarg1, StereoGroup_Vect jarg1_)
public static final void StereoGroup_Vect_reserve(long jarg1, StereoGroup_Vect jarg1_, long jarg2)
public static final boolean StereoGroup_Vect_isEmpty(long jarg1, StereoGroup_Vect jarg1_)
public static final void StereoGroup_Vect_clear(long jarg1, StereoGroup_Vect jarg1_)
public static final void StereoGroup_Vect_add(long jarg1, StereoGroup_Vect jarg1_, long jarg2, StereoGroup jarg2_)
public static final long StereoGroup_Vect_get(long jarg1, StereoGroup_Vect jarg1_, int jarg2)
public static final void StereoGroup_Vect_set(long jarg1, StereoGroup_Vect jarg1_, int jarg2, long jarg3, StereoGroup jarg3_)
public static final boolean StereoGroup_Vect_equals(long jarg1, StereoGroup_Vect jarg1_, long jarg2, StereoGroup_Vect jarg2_)
public static final void delete_StereoGroup_Vect(long jarg1)
public static final int ci_RIGHTMOST_ATOM_get()
public static final int ci_LEADING_BOND_get()
public static final int ci_ATOM_HOLDER_get()
public static final long ROMol_atoms__SWIG_0(long jarg1, ROMol jarg1_)
public static final long ROMol_bonds__SWIG_0(long jarg1, ROMol jarg1_)
public static final long new_ROMol__SWIG_0()
public static final long new_ROMol__SWIG_1(long jarg1, ROMol jarg1_, boolean jarg2, int jarg3)
public static final long new_ROMol__SWIG_2(long jarg1, ROMol jarg1_, boolean jarg2)
public static final long new_ROMol__SWIG_3(long jarg1, ROMol jarg1_)
public static final long new_ROMol__SWIG_4(java.lang.String jarg1)
public static final void delete_ROMol(long jarg1)
public static final long ROMol_getNumAtoms__SWIG_0(long jarg1, ROMol jarg1_, boolean jarg2)
public static final long ROMol_getNumAtoms__SWIG_1(long jarg1, ROMol jarg1_)
public static final long ROMol_getNumHeavyAtoms(long jarg1, ROMol jarg1_)
public static final long ROMol_getAtomWithIdx(long jarg1, ROMol jarg1_, long jarg2)
public static final long ROMol_getAtomDegree(long jarg1, ROMol jarg1_, long jarg2, Atom jarg2_)
public static final long ROMol_getNumBonds__SWIG_0(long jarg1, ROMol jarg1_, boolean jarg2)
public static final long ROMol_getNumBonds__SWIG_1(long jarg1, ROMol jarg1_)
public static final long ROMol_getBondWithIdx(long jarg1, ROMol jarg1_, long jarg2)
public static final long ROMol_getBondBetweenAtoms(long jarg1, ROMol jarg1_, long jarg2, long jarg3)
public static final void ROMol_setAtomBookmark(long jarg1, ROMol jarg1_, long jarg2, Atom jarg2_, int jarg3)
public static final void ROMol_replaceAtomBookmark(long jarg1, ROMol jarg1_, long jarg2, Atom jarg2_, int jarg3)
public static final long ROMol_getAtomWithBookmark(long jarg1, ROMol jarg1_, int jarg2)
public static final long ROMol_getUniqueAtomWithBookmark(long jarg1, ROMol jarg1_, int jarg2)
public static final long ROMol_getAllAtomsWithBookmark(long jarg1, ROMol jarg1_, int jarg2)
public static final void ROMol_clearAtomBookmark__SWIG_0(long jarg1, ROMol jarg1_, int jarg2)
public static final void ROMol_clearAtomBookmark__SWIG_1(long jarg1, ROMol jarg1_, int jarg2, long jarg3, Atom jarg3_)
public static final void ROMol_clearAllAtomBookmarks(long jarg1, ROMol jarg1_)
public static final boolean ROMol_hasAtomBookmark(long jarg1, ROMol jarg1_, int jarg2)
public static final long ROMol_getAtomBookmarks(long jarg1, ROMol jarg1_)
public static final void ROMol_setBondBookmark(long jarg1, ROMol jarg1_, long jarg2, Bond jarg2_, int jarg3)
public static final long ROMol_getBondWithBookmark(long jarg1, ROMol jarg1_, int jarg2)
public static final long ROMol_getUniqueBondWithBookmark(long jarg1, ROMol jarg1_, int jarg2)
public static final long ROMol_getAllBondsWithBookmark(long jarg1, ROMol jarg1_, int jarg2)
public static final void ROMol_clearBondBookmark__SWIG_0(long jarg1, ROMol jarg1_, int jarg2)
public static final void ROMol_clearBondBookmark__SWIG_1(long jarg1, ROMol jarg1_, int jarg2, long jarg3, Bond jarg3_)
public static final void ROMol_clearAllBondBookmarks(long jarg1, ROMol jarg1_)
public static final boolean ROMol_hasBondBookmark(long jarg1, ROMol jarg1_, int jarg2)
public static final long ROMol_getBondBookmarks(long jarg1, ROMol jarg1_)
public static final long ROMol_getConformer__SWIG_0(long jarg1, ROMol jarg1_, int jarg2)
public static final long ROMol_getConformer__SWIG_1(long jarg1, ROMol jarg1_)
public static final void ROMol_removeConformer(long jarg1, ROMol jarg1_, long jarg2)
public static final void ROMol_clearConformers(long jarg1, ROMol jarg1_)
public static final long ROMol_getNumConformers(long jarg1, ROMol jarg1_)
public static final long ROMol_getRingInfo(long jarg1, ROMol jarg1_)
public static final long ROMol_beginAtoms__SWIG_0(long jarg1, ROMol jarg1_)
public static final long ROMol_endAtoms__SWIG_0(long jarg1, ROMol jarg1_)
public static final long ROMol_beginBonds__SWIG_0(long jarg1, ROMol jarg1_)
public static final long ROMol_endBonds__SWIG_0(long jarg1, ROMol jarg1_)
public static final long ROMol_beginAromaticAtoms__SWIG_0(long jarg1, ROMol jarg1_)
public static final long ROMol_endAromaticAtoms__SWIG_0(long jarg1, ROMol jarg1_)
public static final long ROMol_beginHeteros__SWIG_0(long jarg1, ROMol jarg1_)
public static final long ROMol_endHeteros__SWIG_0(long jarg1, ROMol jarg1_)
public static final long ROMol_beginQueryAtoms__SWIG_0(long jarg1, ROMol jarg1_, long jarg2, QueryAtom jarg2_)
public static final long ROMol_endQueryAtoms__SWIG_0(long jarg1, ROMol jarg1_)
public static final long ROMol_beginMatchingAtoms__SWIG_0(long jarg1, ROMol jarg1_, long jarg2)
public static final long ROMol_beginMatchingAtoms__SWIG_1(long jarg1, ROMol jarg1_, long jarg2)
public static final long ROMol_endMatchingAtoms__SWIG_0(long jarg1, ROMol jarg1_)
public static final long ROMol_beginConformers__SWIG_0(long jarg1, ROMol jarg1_)
public static final long ROMol_endConformers__SWIG_0(long jarg1, ROMol jarg1_)
public static final void ROMol_clearComputedProps__SWIG_0(long jarg1, ROMol jarg1_, boolean jarg2)
public static final void ROMol_clearComputedProps__SWIG_1(long jarg1, ROMol jarg1_)
public static final void ROMol_updatePropertyCache__SWIG_0(long jarg1, ROMol jarg1_, boolean jarg2)
public static final void ROMol_updatePropertyCache__SWIG_1(long jarg1, ROMol jarg1_)
public static final boolean ROMol_needsUpdatePropertyCache(long jarg1, ROMol jarg1_)
public static final void ROMol_debugMol(long jarg1, ROMol jarg1_, long jarg2)
public static final long ROMol_getStereoGroups(long jarg1, ROMol jarg1_)
public static final java.lang.String ROMol_getProp(long jarg1, ROMol jarg1_, java.lang.String jarg2)
public static final long ROMol_addConformer__SWIG_0(long jarg1, ROMol jarg1_, long jarg2, Conformer jarg2_, boolean jarg3)
public static final long ROMol_addConformer__SWIG_1(long jarg1, ROMol jarg1_, long jarg2, Conformer jarg2_)
public static final java.lang.String ROMol_MolToSmiles__SWIG_0(long jarg1, ROMol jarg1_, boolean jarg2, boolean jarg3, int jarg4)
public static final java.lang.String ROMol_MolToSmiles__SWIG_1(long jarg1, ROMol jarg1_, boolean jarg2, boolean jarg3)
public static final java.lang.String ROMol_MolToSmiles__SWIG_2(long jarg1, ROMol jarg1_, boolean jarg2)
public static final java.lang.String ROMol_MolToSmiles__SWIG_3(long jarg1, ROMol jarg1_)
public static final java.lang.String ROMol_MolToMolBlock__SWIG_0(long jarg1, ROMol jarg1_, boolean jarg2, int jarg3)
public static final java.lang.String ROMol_MolToMolBlock__SWIG_1(long jarg1, ROMol jarg1_, boolean jarg2)
public static final java.lang.String ROMol_MolToMolBlock__SWIG_2(long jarg1, ROMol jarg1_)
public static final void ROMol_MolToMolFile__SWIG_0(long jarg1, ROMol jarg1_, java.lang.String jarg2, boolean jarg3, int jarg4, boolean jarg5)
public static final void ROMol_MolToMolFile__SWIG_1(long jarg1, ROMol jarg1_, java.lang.String jarg2, boolean jarg3, int jarg4)
public static final void ROMol_MolToMolFile__SWIG_2(long jarg1, ROMol jarg1_, java.lang.String jarg2, boolean jarg3)
public static final void ROMol_MolToMolFile__SWIG_3(long jarg1, ROMol jarg1_, java.lang.String jarg2)
public static final java.lang.String ROMol_MolToTPLText__SWIG_0(long jarg1, ROMol jarg1_, java.lang.String jarg2, boolean jarg3)
public static final java.lang.String ROMol_MolToTPLText__SWIG_1(long jarg1, ROMol jarg1_, java.lang.String jarg2)
public static final java.lang.String ROMol_MolToTPLText__SWIG_2(long jarg1, ROMol jarg1_)
public static final void ROMol_MolToTPLFile__SWIG_0(long jarg1, ROMol jarg1_, java.lang.String jarg2, java.lang.String jarg3, boolean jarg4)
public static final void ROMol_MolToTPLFile__SWIG_1(long jarg1, ROMol jarg1_, java.lang.String jarg2, java.lang.String jarg3)
public static final void ROMol_MolToTPLFile__SWIG_2(long jarg1, ROMol jarg1_, java.lang.String jarg2)
public static final java.lang.String ROMol_MolToPDBBlock__SWIG_0(long jarg1, ROMol jarg1_, int jarg2, long jarg3)
public static final java.lang.String ROMol_MolToPDBBlock__SWIG_1(long jarg1, ROMol jarg1_, int jarg2)
public static final java.lang.String ROMol_MolToPDBBlock__SWIG_2(long jarg1, ROMol jarg1_)
public static final void ROMol_MolToPDBFile__SWIG_0(long jarg1, ROMol jarg1_, java.lang.String jarg2, int jarg3, long jarg4)
public static final void ROMol_MolToPDBFile__SWIG_1(long jarg1, ROMol jarg1_, java.lang.String jarg2, int jarg3)
public static final void ROMol_MolToPDBFile__SWIG_2(long jarg1, ROMol jarg1_, java.lang.String jarg2)
public static final java.lang.String ROMol_MolToSequence(long jarg1, ROMol jarg1_)
public static final java.lang.String ROMol_MolToFASTA(long jarg1, ROMol jarg1_)
public static final java.lang.String ROMol_MolToHELM(long jarg1, ROMol jarg1_)
public static final java.lang.String ROMol_MolToXYZBlock__SWIG_0(long jarg1, ROMol jarg1_, int jarg2)
public static final java.lang.String ROMol_MolToXYZBlock__SWIG_1(long jarg1, ROMol jarg1_)
public static final void ROMol_MolToXYZFile__SWIG_0(long jarg1, ROMol jarg1_, java.lang.String jarg2, int jarg3)
public static final void ROMol_MolToXYZFile__SWIG_1(long jarg1, ROMol jarg1_, java.lang.String jarg2)
public static final boolean ROMol_hasSubstructMatch__SWIG_0(long jarg1, ROMol jarg1_, long jarg2, ROMol jarg2_, boolean jarg3)
public static final boolean ROMol_hasSubstructMatch__SWIG_1(long jarg1, ROMol jarg1_, long jarg2, ROMol jarg2_)
public static final boolean ROMol_hasSubstructMatch__SWIG_2(long jarg1, ROMol jarg1_, long jarg2, ROMol jarg2_, long jarg3, SubstructMatchParameters jarg3_)
public static final long ROMol_getSubstructMatch__SWIG_0(long jarg1, ROMol jarg1_, long jarg2, ROMol jarg2_, long jarg3, SubstructMatchParameters jarg3_)
public static final long ROMol_getSubstructMatches__SWIG_0(long jarg1, ROMol jarg1_, long jarg2, ROMol jarg2_, long jarg3, SubstructMatchParameters jarg3_)
public static final long ROMol_getSubstructMatch__SWIG_1(long jarg1, ROMol jarg1_, long jarg2, ROMol jarg2_, boolean jarg3)
public static final long ROMol_getSubstructMatch__SWIG_2(long jarg1, ROMol jarg1_, long jarg2, ROMol jarg2_)
public static final long ROMol_getSubstructMatches__SWIG_1(long jarg1, ROMol jarg1_, long jarg2, ROMol jarg2_, boolean jarg3, boolean jarg4)
public static final long ROMol_getSubstructMatches__SWIG_2(long jarg1, ROMol jarg1_, long jarg2, ROMol jarg2_, boolean jarg3)
public static final long ROMol_getSubstructMatches__SWIG_3(long jarg1, ROMol jarg1_, long jarg2, ROMol jarg2_)
public static final long ROMol_deleteSubstructs(long jarg1, ROMol jarg1_, long jarg2, ROMol jarg2_, boolean jarg3)
public static final long ROMol_replaceSubstructs__SWIG_0(long jarg1, ROMol jarg1_, long jarg2, ROMol jarg2_, long jarg3, ROMol jarg3_, boolean jarg4)
public static final long ROMol_replaceSubstructs__SWIG_1(long jarg1, ROMol jarg1_, long jarg2, ROMol jarg2_, long jarg3, ROMol jarg3_)
public static final long ROMol_replaceSidechains(long jarg1, ROMol jarg1_, long jarg2, ROMol jarg2_)
public static final long ROMol_replaceCore__SWIG_0(long jarg1, ROMol jarg1_, long jarg2, ROMol jarg2_, boolean jarg3, boolean jarg4)
public static final long ROMol_replaceCore__SWIG_1(long jarg1, ROMol jarg1_, long jarg2, ROMol jarg2_, boolean jarg3)
public static final long ROMol_replaceCore__SWIG_2(long jarg1, ROMol jarg1_, long jarg2, ROMol jarg2_)
public static final void ROMol_DetectBondStereoChemistry(long jarg1, ROMol jarg1_, long jarg2, Conformer jarg2_)
public static final void ROMol_WedgeMolBonds(long jarg1, ROMol jarg1_, long jarg2, Conformer jarg2_)
public static final void ROMol_pickBondsToWedge(long jarg1, ROMol jarg1_)
public static final void ROMol_ClearSingleBondDirFlags(long jarg1, ROMol jarg1_)
public static final void ROMol_setConjugation(long jarg1, ROMol jarg1_)
public static final void ROMol_setHybridization(long jarg1, ROMol jarg1_)
public static final long ROMol_compute2DCoords__SWIG_0(long jarg1, ROMol jarg1_, long jarg2, Int_Point2D_Map jarg2_, boolean jarg3, boolean jarg4, long jarg5, long jarg6, int jarg7, boolean jarg8, boolean jarg9)
public static final long ROMol_compute2DCoords__SWIG_1(long jarg1, ROMol jarg1_, long jarg2, Int_Point2D_Map jarg2_, boolean jarg3, boolean jarg4, long jarg5, long jarg6, int jarg7, boolean jarg8)
public static final long ROMol_compute2DCoords__SWIG_2(long jarg1, ROMol jarg1_, long jarg2, Int_Point2D_Map jarg2_, boolean jarg3, boolean jarg4, long jarg5, long jarg6, int jarg7)
public static final long ROMol_compute2DCoords__SWIG_3(long jarg1, ROMol jarg1_, long jarg2, Int_Point2D_Map jarg2_, boolean jarg3, boolean jarg4, long jarg5, long jarg6)
public static final long ROMol_compute2DCoords__SWIG_4(long jarg1, ROMol jarg1_, long jarg2, Int_Point2D_Map jarg2_, boolean jarg3, boolean jarg4, long jarg5)
public static final long ROMol_compute2DCoords__SWIG_5(long jarg1, ROMol jarg1_, long jarg2, Int_Point2D_Map jarg2_, boolean jarg3, boolean jarg4)
public static final long ROMol_compute2DCoords__SWIG_6(long jarg1, ROMol jarg1_, long jarg2, Int_Point2D_Map jarg2_, boolean jarg3)
public static final long ROMol_compute2DCoords__SWIG_7(long jarg1, ROMol jarg1_, long jarg2, Int_Point2D_Map jarg2_)
public static final long ROMol_compute2DCoords__SWIG_8(long jarg1, ROMol jarg1_)
public static final long ROMol_compute2DCoords__SWIG_9(long jarg1, ROMol jarg1_, long jarg2, ROMol jarg2_)
public static final long ROMol_compute2DCoordsMimicDistMat__SWIG_0(long jarg1, ROMol jarg1_, long jarg2, boolean jarg3, boolean jarg4, double jarg5, long jarg6, long jarg7, int jarg8, boolean jarg9, boolean jarg10)
public static final long ROMol_compute2DCoordsMimicDistMat__SWIG_1(long jarg1, ROMol jarg1_, long jarg2, boolean jarg3, boolean jarg4, double jarg5, long jarg6, long jarg7, int jarg8, boolean jarg9)
public static final long ROMol_compute2DCoordsMimicDistMat__SWIG_2(long jarg1, ROMol jarg1_, long jarg2, boolean jarg3, boolean jarg4, double jarg5, long jarg6, long jarg7, int jarg8)
public static final long ROMol_compute2DCoordsMimicDistMat__SWIG_3(long jarg1, ROMol jarg1_, long jarg2, boolean jarg3, boolean jarg4, double jarg5, long jarg6, long jarg7)
public static final long ROMol_compute2DCoordsMimicDistMat__SWIG_4(long jarg1, ROMol jarg1_, long jarg2, boolean jarg3, boolean jarg4, double jarg5, long jarg6)
public static final long ROMol_compute2DCoordsMimicDistMat__SWIG_5(long jarg1, ROMol jarg1_, long jarg2, boolean jarg3, boolean jarg4, double jarg5)
public static final long ROMol_compute2DCoordsMimicDistMat__SWIG_6(long jarg1, ROMol jarg1_, long jarg2, boolean jarg3, boolean jarg4)
public static final long ROMol_compute2DCoordsMimicDistMat__SWIG_7(long jarg1, ROMol jarg1_, long jarg2, boolean jarg3)
public static final long ROMol_compute2DCoordsMimicDistMat__SWIG_8(long jarg1, ROMol jarg1_, long jarg2)
public static final long ROMol_compute2DCoordsMimicDistMat__SWIG_9(long jarg1, ROMol jarg1_)
public static final void ROMol_generateDepictionMatching2DStructure__SWIG_0(long jarg1, ROMol jarg1_, long jarg2, ROMol jarg2_, int jarg3, boolean jarg4, boolean jarg5)
public static final void ROMol_generateDepictionMatching2DStructure__SWIG_1(long jarg1, ROMol jarg1_, long jarg2, ROMol jarg2_, int jarg3, boolean jarg4)
public static final void ROMol_generateDepictionMatching2DStructure__SWIG_2(long jarg1, ROMol jarg1_, long jarg2, ROMol jarg2_, int jarg3)
public static final void ROMol_generateDepictionMatching2DStructure__SWIG_3(long jarg1, ROMol jarg1_, long jarg2, ROMol jarg2_)
public static final void ROMol_generateDepictionMatching2DStructure__SWIG_4(long jarg1, ROMol jarg1_, long jarg2, ROMol jarg2_, int jarg3, long jarg4, ROMol jarg4_, boolean jarg5, boolean jarg6)
public static final void ROMol_generateDepictionMatching2DStructure__SWIG_5(long jarg1, ROMol jarg1_, long jarg2, ROMol jarg2_, int jarg3, long jarg4, ROMol jarg4_, boolean jarg5)
public static final void ROMol_generateDepictionMatching2DStructure__SWIG_6(long jarg1, ROMol jarg1_, long jarg2, ROMol jarg2_, int jarg3, long jarg4, ROMol jarg4_)
public static final int ROMol_findSSSR__SWIG_0(long jarg1, ROMol jarg1_, long jarg2, Int_Vect_Vect jarg2_)
public static final int ROMol_findSSSR__SWIG_1(long jarg1, ROMol jarg1_)
public static final int ROMol_symmetrizeSSSR__SWIG_0(long jarg1, ROMol jarg1_, long jarg2, Int_Vect_Vect jarg2_)
public static final int ROMol_symmetrizeSSSR__SWIG_1(long jarg1, ROMol jarg1_)
public static final long ROMol_getDistanceMat__SWIG_0(long jarg1, ROMol jarg1_, boolean jarg2, boolean jarg3, boolean jarg4, java.lang.String jarg5)
public static final long ROMol_getDistanceMat__SWIG_1(long jarg1, ROMol jarg1_, boolean jarg2, boolean jarg3, boolean jarg4)
public static final long ROMol_getDistanceMat__SWIG_2(long jarg1, ROMol jarg1_, boolean jarg2, boolean jarg3)
public static final long ROMol_getDistanceMat__SWIG_3(long jarg1, ROMol jarg1_, boolean jarg2)
public static final long ROMol_getDistanceMat__SWIG_4(long jarg1, ROMol jarg1_)
public static final long ROMol_getDistanceMat__SWIG_5(long jarg1, ROMol jarg1_, long jarg2, Int_Vect jarg2_, long jarg3, boolean jarg4, boolean jarg5)
public static final long ROMol_getDistanceMat__SWIG_6(long jarg1, ROMol jarg1_, long jarg2, Int_Vect jarg2_, long jarg3, boolean jarg4)
public static final long ROMol_getDistanceMat__SWIG_7(long jarg1, ROMol jarg1_, long jarg2, Int_Vect jarg2_, long jarg3)
public static final long ROMol_getAdjacencyMatrix__SWIG_0(long jarg1, ROMol jarg1_, boolean jarg2, int jarg3, boolean jarg4, java.lang.String jarg5)
public static final long ROMol_getAdjacencyMatrix__SWIG_1(long jarg1, ROMol jarg1_, boolean jarg2, int jarg3, boolean jarg4)
public static final long ROMol_getAdjacencyMatrix__SWIG_2(long jarg1, ROMol jarg1_, boolean jarg2, int jarg3)
public static final long ROMol_getAdjacencyMatrix__SWIG_3(long jarg1, ROMol jarg1_, boolean jarg2)
public static final long ROMol_getAdjacencyMatrix__SWIG_4(long jarg1, ROMol jarg1_)
public static final long ROMol_getShortestPath(long jarg1, ROMol jarg1_, int jarg2, int jarg3)
public static final void ROMol_transformMolsAtoms(long jarg1, ROMol jarg1_, long jarg2, Transform3D jarg2_)
public static final void ROMol_canonicalizeMol__SWIG_0(long jarg1, ROMol jarg1_, boolean jarg2, boolean jarg3)
public static final void ROMol_canonicalizeMol__SWIG_1(long jarg1, ROMol jarg1_, boolean jarg2)
public static final void ROMol_canonicalizeMol__SWIG_2(long jarg1, ROMol jarg1_)
public static final long ROMol_getAtoms(long jarg1, ROMol jarg1_)
public static final long ROMol_getAtomNeighbors(long jarg1, ROMol jarg1_, long jarg2, Atom jarg2_)
public static final long ROMol_getAtomBonds(long jarg1, ROMol jarg1_, long jarg2, Atom jarg2_)
public static final long ROMol_ToBinary(long jarg1, ROMol jarg1_)
public static final long ROMol_MolFromBinary(long jarg1, Int_Vect jarg1_)
public static final long ROMol_addHs__SWIG_0(long jarg1, ROMol jarg1_, boolean jarg2, boolean jarg3)
public static final long ROMol_addHs__SWIG_1(long jarg1, ROMol jarg1_, boolean jarg2)
public static final long ROMol_removeHs__SWIG_0(long jarg1, ROMol jarg1_, boolean jarg2, boolean jarg3, boolean jarg4)
public static final long ROMol_removeHs__SWIG_1(long jarg1, ROMol jarg1_, boolean jarg2, boolean jarg3)
public static final long ROMol_removeHs__SWIG_2(long jarg1, ROMol jarg1_, boolean jarg2)
public static final long ROMol_mergeQueryHs(long jarg1, ROMol jarg1_)
public static final double ROMol_alignMol__SWIG_0(long jarg1, ROMol jarg1_, long jarg2, ROMol jarg2_, int jarg3, int jarg4, long jarg5, Match_Vect jarg5_, long jarg6, boolean jarg7, long jarg8)
public static final double ROMol_alignMol__SWIG_1(long jarg1, ROMol jarg1_, long jarg2, ROMol jarg2_, int jarg3, int jarg4, long jarg5, Match_Vect jarg5_, long jarg6, boolean jarg7)
public static final double ROMol_alignMol__SWIG_2(long jarg1, ROMol jarg1_, long jarg2, ROMol jarg2_, int jarg3, int jarg4, long jarg5, Match_Vect jarg5_, long jarg6)
public static final double ROMol_alignMol__SWIG_3(long jarg1, ROMol jarg1_, long jarg2, ROMol jarg2_, int jarg3, int jarg4, long jarg5, Match_Vect jarg5_)
public static final double ROMol_alignMol__SWIG_4(long jarg1, ROMol jarg1_, long jarg2, ROMol jarg2_, int jarg3, int jarg4)
public static final double ROMol_alignMol__SWIG_5(long jarg1, ROMol jarg1_, long jarg2, ROMol jarg2_, int jarg3)
public static final double ROMol_alignMol__SWIG_6(long jarg1, ROMol jarg1_, long jarg2, ROMol jarg2_)
public static final void ROMol_alignMolConformers__SWIG_0(long jarg1, ROMol jarg1_, long jarg2, ROMol jarg2_, long jarg3, UInt_Vect jarg3_, long jarg4, UInt_Vect jarg4_, long jarg5, boolean jarg6, long jarg7)
public static final void ROMol_alignMolConformers__SWIG_1(long jarg1, ROMol jarg1_, long jarg2, ROMol jarg2_, long jarg3, UInt_Vect jarg3_, long jarg4, UInt_Vect jarg4_, long jarg5, boolean jarg6)
public static final void ROMol_alignMolConformers__SWIG_2(long jarg1, ROMol jarg1_, long jarg2, ROMol jarg2_, long jarg3, UInt_Vect jarg3_, long jarg4, UInt_Vect jarg4_, long jarg5)
public static final void ROMol_alignMolConformers__SWIG_3(long jarg1, ROMol jarg1_, long jarg2, ROMol jarg2_, long jarg3, UInt_Vect jarg3_, long jarg4, UInt_Vect jarg4_)
public static final void ROMol_alignMolConformers__SWIG_4(long jarg1, ROMol jarg1_, long jarg2, ROMol jarg2_, long jarg3, UInt_Vect jarg3_)
public static final void ROMol_alignMolConformers__SWIG_5(long jarg1, ROMol jarg1_, long jarg2, ROMol jarg2_)
public static final double ROMol_getAlignmentTransform__SWIG_0(long jarg1, ROMol jarg1_, long jarg2, ROMol jarg2_, long jarg3, Transform3D jarg3_, int jarg4, int jarg5, long jarg6, Match_Vect jarg6_, long jarg7, boolean jarg8, long jarg9)
public static final double ROMol_getAlignmentTransform__SWIG_1(long jarg1, ROMol jarg1_, long jarg2, ROMol jarg2_, long jarg3, Transform3D jarg3_, int jarg4, int jarg5, long jarg6, Match_Vect jarg6_, long jarg7, boolean jarg8)
public static final double ROMol_getAlignmentTransform__SWIG_2(long jarg1, ROMol jarg1_, long jarg2, ROMol jarg2_, long jarg3, Transform3D jarg3_, int jarg4, int jarg5, long jarg6, Match_Vect jarg6_, long jarg7)
public static final double ROMol_getAlignmentTransform__SWIG_3(long jarg1, ROMol jarg1_, long jarg2, ROMol jarg2_, long jarg3, Transform3D jarg3_, int jarg4, int jarg5, long jarg6, Match_Vect jarg6_)
public static final double ROMol_getAlignmentTransform__SWIG_4(long jarg1, ROMol jarg1_, long jarg2, ROMol jarg2_, long jarg3, Transform3D jarg3_, int jarg4, int jarg5)
public static final double ROMol_getAlignmentTransform__SWIG_5(long jarg1, ROMol jarg1_, long jarg2, ROMol jarg2_, long jarg3, Transform3D jarg3_, int jarg4)
public static final double ROMol_getAlignmentTransform__SWIG_6(long jarg1, ROMol jarg1_, long jarg2, ROMol jarg2_, long jarg3, Transform3D jarg3_)
public static final long ROMol_O3AAlignMol__SWIG_0(long jarg1, ROMol jarg1_, long jarg2, ROMol jarg2_, int jarg3, int jarg4, boolean jarg5, long jarg6, long jarg7)
public static final long ROMol_O3AAlignMol__SWIG_1(long jarg1, ROMol jarg1_, long jarg2, ROMol jarg2_, int jarg3, int jarg4, boolean jarg5, long jarg6)
public static final long ROMol_O3AAlignMol__SWIG_2(long jarg1, ROMol jarg1_, long jarg2, ROMol jarg2_, int jarg3, int jarg4, boolean jarg5)
public static final long ROMol_O3AAlignMol__SWIG_3(long jarg1, ROMol jarg1_, long jarg2, ROMol jarg2_, int jarg3, int jarg4)
public static final long ROMol_O3AAlignMol__SWIG_4(long jarg1, ROMol jarg1_, long jarg2, ROMol jarg2_, int jarg3)
public static final long ROMol_O3AAlignMol__SWIG_5(long jarg1, ROMol jarg1_, long jarg2, ROMol jarg2_)
public static final void ROMol_computeGasteigerCharges__SWIG_0(long jarg1, ROMol jarg1_, long jarg2, ROMol jarg2_, int jarg3, boolean jarg4)
public static final void ROMol_computeGasteigerCharges__SWIG_1(long jarg1, ROMol jarg1_, long jarg2, ROMol jarg2_, int jarg3)
public static final void ROMol_computeGasteigerCharges__SWIG_2(long jarg1, ROMol jarg1_, long jarg2, ROMol jarg2_)
public static final void ROMol_computeGasteigerCharges__SWIG_3(long jarg1, ROMol jarg1_, long jarg2, ROMol jarg2_, long jarg3, Double_Vect jarg3_, int jarg4, boolean jarg5)
public static final void ROMol_computeGasteigerCharges__SWIG_4(long jarg1, ROMol jarg1_, long jarg2, ROMol jarg2_, long jarg3, Double_Vect jarg3_, int jarg4)
public static final void ROMol_computeGasteigerCharges__SWIG_5(long jarg1, ROMol jarg1_, long jarg2, ROMol jarg2_, long jarg3, Double_Vect jarg3_)
public static final void ROMol_rankMolAtoms__SWIG_0(long jarg1, ROMol jarg1_, long jarg2, UInt_Vect jarg2_, boolean jarg3, boolean jarg4, boolean jarg5)
public static final void ROMol_rankMolAtoms__SWIG_1(long jarg1, ROMol jarg1_, long jarg2, UInt_Vect jarg2_, boolean jarg3, boolean jarg4)
public static final void ROMol_rankMolAtoms__SWIG_2(long jarg1, ROMol jarg1_, long jarg2, UInt_Vect jarg2_, boolean jarg3)
public static final void ROMol_rankMolAtoms__SWIG_3(long jarg1, ROMol jarg1_, long jarg2, UInt_Vect jarg2_)
public static final java.lang.String ROMol_ToSVG__SWIG_0(long jarg1, ROMol jarg1_, long jarg2, Int_Vect jarg2_, int jarg3, int jarg4)
public static final java.lang.String ROMol_ToSVG__SWIG_1(long jarg1, ROMol jarg1_, long jarg2, Int_Vect jarg2_, int jarg3)
public static final java.lang.String ROMol_ToSVG__SWIG_2(long jarg1, ROMol jarg1_, long jarg2, Int_Vect jarg2_)
public static final java.lang.String ROMol_ToSVG__SWIG_3(long jarg1, ROMol jarg1_, int jarg2, int jarg3)
public static final java.lang.String ROMol_ToSVG__SWIG_4(long jarg1, ROMol jarg1_, int jarg2)
public static final java.lang.String ROMol_ToSVG__SWIG_5(long jarg1, ROMol jarg1_)
public static final void SubstructMatchParameters_useChirality_set(long jarg1, SubstructMatchParameters jarg1_, boolean jarg2)
public static final boolean SubstructMatchParameters_useChirality_get(long jarg1, SubstructMatchParameters jarg1_)
public static final void SubstructMatchParameters_aromaticMatchesConjugated_set(long jarg1, SubstructMatchParameters jarg1_, boolean jarg2)
public static final boolean SubstructMatchParameters_aromaticMatchesConjugated_get(long jarg1, SubstructMatchParameters jarg1_)
public static final void SubstructMatchParameters_useQueryQueryMatches_set(long jarg1, SubstructMatchParameters jarg1_, boolean jarg2)
public static final boolean SubstructMatchParameters_useQueryQueryMatches_get(long jarg1, SubstructMatchParameters jarg1_)
public static final void SubstructMatchParameters_recursionPossible_set(long jarg1, SubstructMatchParameters jarg1_, boolean jarg2)
public static final boolean SubstructMatchParameters_recursionPossible_get(long jarg1, SubstructMatchParameters jarg1_)
public static final void SubstructMatchParameters_uniquify_set(long jarg1, SubstructMatchParameters jarg1_, boolean jarg2)
public static final boolean SubstructMatchParameters_uniquify_get(long jarg1, SubstructMatchParameters jarg1_)
public static final void SubstructMatchParameters_maxMatches_set(long jarg1, SubstructMatchParameters jarg1_, long jarg2)
public static final long SubstructMatchParameters_maxMatches_get(long jarg1, SubstructMatchParameters jarg1_)
public static final void SubstructMatchParameters_numThreads_set(long jarg1, SubstructMatchParameters jarg1_, int jarg2)
public static final int SubstructMatchParameters_numThreads_get(long jarg1, SubstructMatchParameters jarg1_)
public static final long new_SubstructMatchParameters()
public static final void delete_SubstructMatchParameters(long jarg1)
public static final long new_MolPicklerException__SWIG_0(java.lang.String jarg1)
public static final java.lang.String MolPicklerException_message(long jarg1, MolPicklerException jarg1_)
public static final void delete_MolPicklerException(long jarg1)
public static final int NoProps_get()
public static final int MolProps_get()
public static final int AtomProps_get()
public static final int BondProps_get()
public static final int QueryAtomData_get()
public static final int PrivateProps_get()
public static final int ComputedProps_get()
public static final int AllProps_get()
public static final boolean getPreferCoordGen()
public static final void setPreferCoordGen(boolean jarg1)
public static final int MOLFILE_MAXLINE_get()
public static final java.lang.String strip(java.lang.String jarg1)
public static final long new_MolFileUnhandledFeatureException__SWIG_0(java.lang.String jarg1)
public static final java.lang.String MolFileUnhandledFeatureException_message(long jarg1, MolFileUnhandledFeatureException jarg1_)
public static final void delete_MolFileUnhandledFeatureException(long jarg1)
public static final long MolDataStreamToMol__SWIG_0(long jarg1, long jarg2, boolean jarg3, boolean jarg4, boolean jarg5)
public static final long MolDataStreamToMol__SWIG_1(long jarg1, long jarg2, boolean jarg3, boolean jarg4)
public static final long MolDataStreamToMol__SWIG_2(long jarg1, long jarg2, boolean jarg3)
public static final long MolDataStreamToMol__SWIG_3(long jarg1, long jarg2)
public static final long MolBlockToMol__SWIG_0(java.lang.String jarg1, boolean jarg2, boolean jarg3, boolean jarg4)
public static final long MolBlockToMol__SWIG_1(java.lang.String jarg1, boolean jarg2, boolean jarg3)
public static final long MolBlockToMol__SWIG_2(java.lang.String jarg1, boolean jarg2)
public static final long MolBlockToMol__SWIG_3(java.lang.String jarg1)
public static final long MolFileToMol__SWIG_0(java.lang.String jarg1, boolean jarg2, boolean jarg3, boolean jarg4)
public static final long MolFileToMol__SWIG_1(java.lang.String jarg1, boolean jarg2, boolean jarg3)
public static final long MolFileToMol__SWIG_2(java.lang.String jarg1, boolean jarg2)
public static final long MolFileToMol__SWIG_3(java.lang.String jarg1)
public static final java.lang.String MolToMolBlock__SWIG_0(long jarg1, ROMol jarg1_, boolean jarg2, int jarg3, boolean jarg4, boolean jarg5)
public static final java.lang.String MolToMolBlock__SWIG_1(long jarg1, ROMol jarg1_, boolean jarg2, int jarg3, boolean jarg4)
public static final java.lang.String MolToMolBlock__SWIG_2(long jarg1, ROMol jarg1_, boolean jarg2, int jarg3)
public static final java.lang.String MolToMolBlock__SWIG_3(long jarg1, ROMol jarg1_, boolean jarg2)
public static final java.lang.String MolToMolBlock__SWIG_4(long jarg1, ROMol jarg1_)
public static final void MolToMolFile__SWIG_0(long jarg1, ROMol jarg1_, java.lang.String jarg2, boolean jarg3, int jarg4, boolean jarg5, boolean jarg6)
public static final void MolToMolFile__SWIG_1(long jarg1, ROMol jarg1_, java.lang.String jarg2, boolean jarg3, int jarg4, boolean jarg5)
public static final void MolToMolFile__SWIG_2(long jarg1, ROMol jarg1_, java.lang.String jarg2, boolean jarg3, int jarg4)
public static final void MolToMolFile__SWIG_3(long jarg1, ROMol jarg1_, java.lang.String jarg2, boolean jarg3)
public static final void MolToMolFile__SWIG_4(long jarg1, ROMol jarg1_, java.lang.String jarg2)
public static final java.lang.String MolToXYZBlock__SWIG_0(long jarg1, ROMol jarg1_, int jarg2)
public static final java.lang.String MolToXYZBlock__SWIG_1(long jarg1, ROMol jarg1_)
public static final void MolToXYZFile__SWIG_0(long jarg1, ROMol jarg1_, java.lang.String jarg2, int jarg3)
public static final void MolToXYZFile__SWIG_1(long jarg1, ROMol jarg1_, java.lang.String jarg2)
public static final long TPLDataStreamToMol__SWIG_0(long jarg1, long jarg2, boolean jarg3, boolean jarg4)
public static final long TPLDataStreamToMol__SWIG_1(long jarg1, long jarg2, boolean jarg3)
public static final long TPLDataStreamToMol__SWIG_2(long jarg1, long jarg2)
public static final long TPLFileToMol__SWIG_0(java.lang.String jarg1, boolean jarg2, boolean jarg3)
public static final long TPLFileToMol__SWIG_1(java.lang.String jarg1, boolean jarg2)
public static final long TPLFileToMol__SWIG_2(java.lang.String jarg1)
public static final java.lang.String MolToTPLText__SWIG_0(long jarg1, ROMol jarg1_, java.lang.String jarg2, boolean jarg3)
public static final java.lang.String MolToTPLText__SWIG_1(long jarg1, ROMol jarg1_, java.lang.String jarg2)
public static final java.lang.String MolToTPLText__SWIG_2(long jarg1, ROMol jarg1_)
public static final void MolToTPLFile__SWIG_0(long jarg1, ROMol jarg1_, java.lang.String jarg2, java.lang.String jarg3, boolean jarg4)
public static final void MolToTPLFile__SWIG_1(long jarg1, ROMol jarg1_, java.lang.String jarg2, java.lang.String jarg3)
public static final void MolToTPLFile__SWIG_2(long jarg1, ROMol jarg1_, java.lang.String jarg2)
public static final int CORINA_get()
public static final long Mol2FileToMol__SWIG_0(java.lang.String jarg1, boolean jarg2, boolean jarg3, int jarg4, boolean jarg5)
public static final long Mol2FileToMol__SWIG_1(java.lang.String jarg1, boolean jarg2, boolean jarg3, int jarg4)
public static final long Mol2FileToMol__SWIG_2(java.lang.String jarg1, boolean jarg2, boolean jarg3)
public static final long Mol2FileToMol__SWIG_3(java.lang.String jarg1, boolean jarg2)
public static final long Mol2FileToMol__SWIG_4(java.lang.String jarg1)
public static final long Mol2DataStreamToMol__SWIG_0(long jarg1, boolean jarg2, boolean jarg3, int jarg4, boolean jarg5)
public static final long Mol2DataStreamToMol__SWIG_1(long jarg1, boolean jarg2, boolean jarg3, int jarg4)
public static final long Mol2DataStreamToMol__SWIG_2(long jarg1, boolean jarg2, boolean jarg3)
public static final long Mol2DataStreamToMol__SWIG_3(long jarg1, boolean jarg2)
public static final long Mol2DataStreamToMol__SWIG_4(long jarg1)
public static final long Mol2BlockToMol__SWIG_0(java.lang.String jarg1, boolean jarg2, boolean jarg3, int jarg4, boolean jarg5)
public static final long Mol2BlockToMol__SWIG_1(java.lang.String jarg1, boolean jarg2, boolean jarg3, int jarg4)
public static final long Mol2BlockToMol__SWIG_2(java.lang.String jarg1, boolean jarg2, boolean jarg3)
public static final long Mol2BlockToMol__SWIG_3(java.lang.String jarg1, boolean jarg2)
public static final long Mol2BlockToMol__SWIG_4(java.lang.String jarg1)
public static final long PDBBlockToMol__SWIG_0(java.lang.String jarg1, boolean jarg2, boolean jarg3, long jarg4, boolean jarg5)
public static final long PDBBlockToMol__SWIG_1(java.lang.String jarg1, boolean jarg2, boolean jarg3, long jarg4)
public static final long PDBBlockToMol__SWIG_2(java.lang.String jarg1, boolean jarg2, boolean jarg3)
public static final long PDBBlockToMol__SWIG_3(java.lang.String jarg1, boolean jarg2)
public static final long PDBBlockToMol__SWIG_4(java.lang.String jarg1)
public static final long PDBDataStreamToMol__SWIG_0(long jarg1, boolean jarg2, boolean jarg3, long jarg4, boolean jarg5)
public static final long PDBDataStreamToMol__SWIG_1(long jarg1, boolean jarg2, boolean jarg3, long jarg4)
public static final long PDBDataStreamToMol__SWIG_2(long jarg1, boolean jarg2, boolean jarg3)
public static final long PDBDataStreamToMol__SWIG_3(long jarg1, boolean jarg2)
public static final long PDBDataStreamToMol__SWIG_4(long jarg1)
public static final long PDBFileToMol__SWIG_0(java.lang.String jarg1, boolean jarg2, boolean jarg3, long jarg4, boolean jarg5)
public static final long PDBFileToMol__SWIG_1(java.lang.String jarg1, boolean jarg2, boolean jarg3, long jarg4)
public static final long PDBFileToMol__SWIG_2(java.lang.String jarg1, boolean jarg2, boolean jarg3)
public static final long PDBFileToMol__SWIG_3(java.lang.String jarg1, boolean jarg2)
public static final long PDBFileToMol__SWIG_4(java.lang.String jarg1)
public static final java.lang.String MolToPDBBlock__SWIG_0(long jarg1, ROMol jarg1_, int jarg2, long jarg3)
public static final java.lang.String MolToPDBBlock__SWIG_1(long jarg1, ROMol jarg1_, int jarg2)
public static final java.lang.String MolToPDBBlock__SWIG_2(long jarg1, ROMol jarg1_)
public static final void MolToPDBFile__SWIG_0(long jarg1, ROMol jarg1_, java.lang.String jarg2, int jarg3, long jarg4)
public static final void MolToPDBFile__SWIG_1(long jarg1, ROMol jarg1_, java.lang.String jarg2, int jarg3)
public static final void MolToPDBFile__SWIG_2(long jarg1, ROMol jarg1_, java.lang.String jarg2)
public static final long RDKitSVGToMol__SWIG_0(java.lang.String jarg1, boolean jarg2, boolean jarg3)
public static final long RDKitSVGToMol__SWIG_1(java.lang.String jarg1, boolean jarg2)
public static final long RDKitSVGToMol__SWIG_2(java.lang.String jarg1)
public static final long RDKitSVGToMol__SWIG_3(long jarg1, boolean jarg2, boolean jarg3)
public static final long RDKitSVGToMol__SWIG_4(long jarg1, boolean jarg2)
public static final long RDKitSVGToMol__SWIG_5(long jarg1)
public static final long new_RWMol__SWIG_0()
public static final long new_RWMol__SWIG_1(long jarg1, ROMol jarg1_, boolean jarg2, int jarg3)
public static final long new_RWMol__SWIG_2(long jarg1, ROMol jarg1_, boolean jarg2)
public static final long new_RWMol__SWIG_3(long jarg1, ROMol jarg1_)
public static final long new_RWMol__SWIG_4(long jarg1, RWMol jarg1_)
public static final void RWMol_insertMol(long jarg1, RWMol jarg1_, long jarg2, ROMol jarg2_)
public static final long RWMol_addAtom__SWIG_0(long jarg1, RWMol jarg1_, boolean jarg2)
public static final long RWMol_addAtom__SWIG_1(long jarg1, RWMol jarg1_)
public static final long RWMol_addAtom__SWIG_2(long jarg1, RWMol jarg1_, long jarg2, Atom jarg2_, boolean jarg3)
public static final long RWMol_addAtom__SWIG_3(long jarg1, RWMol jarg1_, long jarg2, Atom jarg2_)
public static final void RWMol_replaceAtom__SWIG_0(long jarg1, RWMol jarg1_, long jarg2, long jarg3, Atom jarg3_, boolean jarg4, boolean jarg5)
public static final void RWMol_replaceAtom__SWIG_1(long jarg1, RWMol jarg1_, long jarg2, long jarg3, Atom jarg3_, boolean jarg4)
public static final void RWMol_replaceAtom__SWIG_2(long jarg1, RWMol jarg1_, long jarg2, long jarg3, Atom jarg3_)
public static final long RWMol_getLastAtom(long jarg1, RWMol jarg1_)
public static final long RWMol_getActiveAtom(long jarg1, RWMol jarg1_)
public static final void RWMol_setActiveAtom__SWIG_0(long jarg1, RWMol jarg1_, long jarg2, Atom jarg2_)
public static final void RWMol_setActiveAtom__SWIG_1(long jarg1, RWMol jarg1_, long jarg2)
public static final void RWMol_removeAtom__SWIG_0(long jarg1, RWMol jarg1_, long jarg2)
public static final void RWMol_removeAtom__SWIG_1(long jarg1, RWMol jarg1_, long jarg2, Atom jarg2_)
public static final long RWMol_addBond__SWIG_0(long jarg1, RWMol jarg1_, long jarg2, long jarg3, int jarg4)
public static final long RWMol_addBond__SWIG_1(long jarg1, RWMol jarg1_, long jarg2, long jarg3)
public static final long RWMol_addBond__SWIG_2(long jarg1, RWMol jarg1_, long jarg2, Atom jarg2_, long jarg3, Atom jarg3_, int jarg4)
public static final long RWMol_addBond__SWIG_3(long jarg1, RWMol jarg1_, long jarg2, Atom jarg2_, long jarg3, Atom jarg3_)
public static final long RWMol_addBond__SWIG_4(long jarg1, RWMol jarg1_, long jarg2, Bond jarg2_)
public static final long RWMol_createPartialBond__SWIG_0(long jarg1, RWMol jarg1_, long jarg2, int jarg3)
public static final long RWMol_createPartialBond__SWIG_1(long jarg1, RWMol jarg1_, long jarg2)
public static final long RWMol_finishPartialBond__SWIG_0(long jarg1, RWMol jarg1_, long jarg2, int jarg3, int jarg4)
public static final long RWMol_finishPartialBond__SWIG_1(long jarg1, RWMol jarg1_, long jarg2, int jarg3)
public static final void RWMol_removeBond(long jarg1, RWMol jarg1_, long jarg2, long jarg3)
public static final void RWMol_replaceBond__SWIG_0(long jarg1, RWMol jarg1_, long jarg2, long jarg3, Bond jarg3_, boolean jarg4)
public static final void RWMol_replaceBond__SWIG_1(long jarg1, RWMol jarg1_, long jarg2, long jarg3, Bond jarg3_)
public static final void RWMol_setStereoGroups(long jarg1, RWMol jarg1_, long jarg2, StereoGroup_Vect jarg2_)
public static final void RWMol_clear(long jarg1, RWMol jarg1_)
public static final long RWMol_MolFromSmiles__SWIG_0(java.lang.String jarg1, int jarg2, boolean jarg3, long jarg4, String_String_Map jarg4_)
public static final long RWMol_MolFromSmiles__SWIG_1(java.lang.String jarg1, int jarg2, boolean jarg3)
public static final long RWMol_MolFromSmiles__SWIG_2(java.lang.String jarg1, int jarg2)
public static final long RWMol_MolFromSmiles__SWIG_3(java.lang.String jarg1)
public static final long RWMol_MolFromSmarts__SWIG_0(java.lang.String jarg1, int jarg2, boolean jarg3, long jarg4, String_String_Map jarg4_)
public static final long RWMol_MolFromSmarts__SWIG_1(java.lang.String jarg1, int jarg2, boolean jarg3)
public static final long RWMol_MolFromSmarts__SWIG_2(java.lang.String jarg1, int jarg2)
public static final long RWMol_MolFromSmarts__SWIG_3(java.lang.String jarg1)
public static final long RWMol_MolFromMolBlock__SWIG_0(java.lang.String jarg1, boolean jarg2, boolean jarg3)
public static final long RWMol_MolFromMolBlock__SWIG_1(java.lang.String jarg1, boolean jarg2)
public static final long RWMol_MolFromMolBlock__SWIG_2(java.lang.String jarg1)
public static final long RWMol_MolFromMolFile__SWIG_0(java.lang.String jarg1, boolean jarg2, boolean jarg3)
public static final long RWMol_MolFromMolFile__SWIG_1(java.lang.String jarg1, boolean jarg2)
public static final long RWMol_MolFromMolFile__SWIG_2(java.lang.String jarg1)
public static final long RWMol_MolFromTPLFile__SWIG_0(java.lang.String jarg1, boolean jarg2, boolean jarg3)
public static final long RWMol_MolFromTPLFile__SWIG_1(java.lang.String jarg1, boolean jarg2)
public static final long RWMol_MolFromTPLFile__SWIG_2(java.lang.String jarg1)
public static final long RWMol_MolFromMol2File__SWIG_0(java.lang.String jarg1, boolean jarg2, boolean jarg3, int jarg4, boolean jarg5)
public static final long RWMol_MolFromMol2File__SWIG_1(java.lang.String jarg1, boolean jarg2, boolean jarg3, int jarg4)
public static final long RWMol_MolFromMol2File__SWIG_2(java.lang.String jarg1, boolean jarg2, boolean jarg3)
public static final long RWMol_MolFromMol2File__SWIG_3(java.lang.String jarg1, boolean jarg2)
public static final long RWMol_MolFromMol2File__SWIG_4(java.lang.String jarg1)
public static final long RWMol_MolFromMol2Block__SWIG_0(java.lang.String jarg1, boolean jarg2, boolean jarg3, int jarg4, boolean jarg5)
public static final long RWMol_MolFromMol2Block__SWIG_1(java.lang.String jarg1, boolean jarg2, boolean jarg3, int jarg4)
public static final long RWMol_MolFromMol2Block__SWIG_2(java.lang.String jarg1, boolean jarg2, boolean jarg3)
public static final long RWMol_MolFromMol2Block__SWIG_3(java.lang.String jarg1, boolean jarg2)
public static final long RWMol_MolFromMol2Block__SWIG_4(java.lang.String jarg1)
public static final long RWMol_MolFromPDBBlock__SWIG_0(java.lang.String jarg1, boolean jarg2, boolean jarg3, long jarg4, boolean jarg5)
public static final long RWMol_MolFromPDBBlock__SWIG_1(java.lang.String jarg1, boolean jarg2, boolean jarg3, long jarg4)
public static final long RWMol_MolFromPDBBlock__SWIG_2(java.lang.String jarg1, boolean jarg2, boolean jarg3)
public static final long RWMol_MolFromPDBBlock__SWIG_3(java.lang.String jarg1, boolean jarg2)
public static final long RWMol_MolFromPDBBlock__SWIG_4(java.lang.String jarg1)
public static final long RWMol_MolFromPDBFile__SWIG_0(java.lang.String jarg1, boolean jarg2, boolean jarg3, long jarg4, boolean jarg5)
public static final long RWMol_MolFromPDBFile__SWIG_1(java.lang.String jarg1, boolean jarg2, boolean jarg3, long jarg4)
public static final long RWMol_MolFromPDBFile__SWIG_2(java.lang.String jarg1, boolean jarg2, boolean jarg3)
public static final long RWMol_MolFromPDBFile__SWIG_3(java.lang.String jarg1, boolean jarg2)
public static final long RWMol_MolFromPDBFile__SWIG_4(java.lang.String jarg1)
public static final long RWMol_MolFromSequence__SWIG_0(java.lang.String jarg1, boolean jarg2, int jarg3)
public static final long RWMol_MolFromSequence__SWIG_1(java.lang.String jarg1, boolean jarg2)
public static final long RWMol_MolFromSequence__SWIG_2(java.lang.String jarg1)
public static final long RWMol_MolFromFASTA__SWIG_0(java.lang.String jarg1, boolean jarg2, int jarg3)
public static final long RWMol_MolFromFASTA__SWIG_1(java.lang.String jarg1, boolean jarg2)
public static final long RWMol_MolFromFASTA__SWIG_2(java.lang.String jarg1)
public static final long RWMol_MolFromHELM__SWIG_0(java.lang.String jarg1, boolean jarg2)
public static final long RWMol_MolFromHELM__SWIG_1(java.lang.String jarg1)
public static final void RWMol_DetectAtomStereoChemistry(long jarg1, RWMol jarg1_, long jarg2, Conformer jarg2_)
public static final void RWMol_Kekulize__SWIG_0(long jarg1, RWMol jarg1_, boolean jarg2, long jarg3)
public static final void RWMol_Kekulize__SWIG_1(long jarg1, RWMol jarg1_, boolean jarg2)
public static final void RWMol_Kekulize__SWIG_2(long jarg1, RWMol jarg1_)
public static final void RWMol_sanitizeMol(long jarg1, RWMol jarg1_)
public static final void delete_RWMol(long jarg1)
public static final int Bond_UNSPECIFIED_get()
public static final int Bond_NONE_get()
public static final int Bond_STEREONONE_get()
public static final long new_Bond__SWIG_0()
public static final long new_Bond__SWIG_1(int jarg1)
public static final long new_Bond__SWIG_2(long jarg1, Bond jarg1_)
public static final void delete_Bond(long jarg1)
public static final long Bond_copy(long jarg1, Bond jarg1_)
public static final int Bond_getBondType(long jarg1, Bond jarg1_)
public static final void Bond_setBondType(long jarg1, Bond jarg1_, int jarg2)
public static final double Bond_getBondTypeAsDouble(long jarg1, Bond jarg1_)
public static final void Bond_setIsAromatic(long jarg1, Bond jarg1_, boolean jarg2)
public static final boolean Bond_getIsAromatic(long jarg1, Bond jarg1_)
public static final void Bond_setIsConjugated(long jarg1, Bond jarg1_, boolean jarg2)
public static final boolean Bond_getIsConjugated(long jarg1, Bond jarg1_)
public static final boolean Bond_hasOwningMol(long jarg1, Bond jarg1_)
public static final long Bond_getOwningMol(long jarg1, Bond jarg1_)
public static final void Bond_setOwningMol__SWIG_0(long jarg1, Bond jarg1_, long jarg2, ROMol jarg2_)
public static final long Bond_getIdx(long jarg1, Bond jarg1_)
public static final void Bond_setIdx(long jarg1, Bond jarg1_, long jarg2)
public static final long Bond_getBeginAtomIdx(long jarg1, Bond jarg1_)
public static final long Bond_getEndAtomIdx(long jarg1, Bond jarg1_)
public static final long Bond_getOtherAtomIdx(long jarg1, Bond jarg1_, long jarg2)
public static final void Bond_setBeginAtomIdx(long jarg1, Bond jarg1_, long jarg2)
public static final void Bond_setEndAtomIdx(long jarg1, Bond jarg1_, long jarg2)
public static final long Bond_getBeginAtom(long jarg1, Bond jarg1_)
public static final long Bond_getEndAtom(long jarg1, Bond jarg1_)
public static final long Bond_getOtherAtom(long jarg1, Bond jarg1_, long jarg2, Atom jarg2_)
public static final boolean Bond_hasQuery(long jarg1, Bond jarg1_)
public static final void Bond_setQuery(long jarg1, Bond jarg1_, long jarg2)
public static final long Bond_getQuery(long jarg1, Bond jarg1_)
public static final void Bond_expandQuery__SWIG_0(long jarg1, Bond jarg1_, long jarg2, int jarg3, boolean jarg4)
public static final void Bond_expandQuery__SWIG_1(long jarg1, Bond jarg1_, long jarg2, int jarg3)
public static final void Bond_expandQuery__SWIG_2(long jarg1, Bond jarg1_, long jarg2)
public static final void Bond_setBondDir(long jarg1, Bond jarg1_, int jarg2)
public static final int Bond_getBondDir(long jarg1, Bond jarg1_)
public static final void Bond_setStereo(long jarg1, Bond jarg1_, int jarg2)
public static final int Bond_getStereo(long jarg1, Bond jarg1_)
public static final void Bond_setStereoAtoms(long jarg1, Bond jarg1_, long jarg2, long jarg3)
public static final long Bond_getStereoAtoms__SWIG_0(long jarg1, Bond jarg1_)
public static final void Bond_updatePropertyCache__SWIG_0(long jarg1, Bond jarg1_, boolean jarg2)
public static final void Bond_updatePropertyCache__SWIG_1(long jarg1, Bond jarg1_)
public static final java.lang.String Bond_getProp(long jarg1, Bond jarg1_, java.lang.String jarg2)
public static final int Bond_DetermineBondWedgeState(long jarg1, Bond jarg1_, long jarg2, Int_Int_Map jarg2_, long jarg3, Conformer jarg3_)
public static final boolean Bond_IsInRing(long jarg1, Bond jarg1_)
public static final boolean Bond_IsInRingSize(long jarg1, Bond jarg1_, int jarg2)
public static final long new_BondIterator__SWIG_0()
public static final long new_BondIterator__SWIG_1(long jarg1, ROMol jarg1_)
public static final long new_BondIterator__SWIG_2(long jarg1, ROMol jarg1_, long jarg2)
public static final long new_BondIterator__SWIG_3(long jarg1, BondIterator jarg1_)
public static final boolean BondIterator_eq(long jarg1, BondIterator jarg1_, long jarg2, BondIterator jarg2_)
public static final boolean BondIterator_ne(long jarg1, BondIterator jarg1_, long jarg2, BondIterator jarg2_)
public static final long BondIterator_getBond(long jarg1, BondIterator jarg1_)
public static final long BondIterator_next__SWIG_0(long jarg1, BondIterator jarg1_)
public static final long BondIterator_next__SWIG_1(long jarg1, BondIterator jarg1_, int jarg2)
public static final long BondIterator_prev__SWIG_0(long jarg1, BondIterator jarg1_)
public static final long BondIterator_prev__SWIG_1(long jarg1, BondIterator jarg1_, int jarg2)
public static final void delete_BondIterator(long jarg1)
public static final long new_ConstBondIterator__SWIG_0()
public static final long new_ConstBondIterator__SWIG_1(long jarg1, ROMol jarg1_)
public static final long new_ConstBondIterator__SWIG_2(long jarg1, ROMol jarg1_, long jarg2)
public static final long new_ConstBondIterator__SWIG_3(long jarg1, ConstBondIterator jarg1_)
public static final boolean ConstBondIterator_eq(long jarg1, ConstBondIterator jarg1_, long jarg2, ConstBondIterator jarg2_)
public static final boolean ConstBondIterator_ne(long jarg1, ConstBondIterator jarg1_, long jarg2, ConstBondIterator jarg2_)
public static final long ConstBondIterator_getBond(long jarg1, ConstBondIterator jarg1_)
public static final long ConstBondIterator_next__SWIG_0(long jarg1, ConstBondIterator jarg1_)
public static final long ConstBondIterator_next__SWIG_1(long jarg1, ConstBondIterator jarg1_, int jarg2)
public static final long ConstBondIterator_prev__SWIG_0(long jarg1, ConstBondIterator jarg1_)
public static final long ConstBondIterator_prev__SWIG_1(long jarg1, ConstBondIterator jarg1_, int jarg2)
public static final void delete_ConstBondIterator(long jarg1)
public static final long new_Bond_Vect__SWIG_0()
public static final long new_Bond_Vect__SWIG_1(long jarg1)
public static final long Bond_Vect_size(long jarg1, Bond_Vect jarg1_)
public static final long Bond_Vect_capacity(long jarg1, Bond_Vect jarg1_)
public static final void Bond_Vect_reserve(long jarg1, Bond_Vect jarg1_, long jarg2)
public static final boolean Bond_Vect_isEmpty(long jarg1, Bond_Vect jarg1_)
public static final void Bond_Vect_clear(long jarg1, Bond_Vect jarg1_)
public static final void Bond_Vect_add(long jarg1, Bond_Vect jarg1_, long jarg2, Bond jarg2_)
public static final long Bond_Vect_get(long jarg1, Bond_Vect jarg1_, int jarg2)
public static final void Bond_Vect_set(long jarg1, Bond_Vect jarg1_, int jarg2, long jarg3, Bond jarg3_)
public static final boolean Bond_Vect_equals(long jarg1, Bond_Vect jarg1_, long jarg2, Bond_Vect jarg2_)
public static final void delete_Bond_Vect(long jarg1)
public static final int Atom_UNSPECIFIED_get()
public static final int Atom_CHI_UNSPECIFIED_get()
public static final long new_Atom__SWIG_0()
public static final long new_Atom__SWIG_1(long jarg1)
public static final long new_Atom__SWIG_2(java.lang.String jarg1)
public static final long new_Atom__SWIG_3(long jarg1, Atom jarg1_)
public static final void delete_Atom(long jarg1)
public static final long Atom_copy(long jarg1, Atom jarg1_)
public static final int Atom_getAtomicNum(long jarg1, Atom jarg1_)
public static final void Atom_setAtomicNum(long jarg1, Atom jarg1_, int jarg2)
public static final java.lang.String Atom_getSymbol(long jarg1, Atom jarg1_)
public static final boolean Atom_hasOwningMol(long jarg1, Atom jarg1_)
public static final long Atom_getOwningMol(long jarg1, Atom jarg1_)
public static final long Atom_getIdx(long jarg1, Atom jarg1_)
public static final void Atom_setIdx(long jarg1, Atom jarg1_, long jarg2)
public static final long Atom_getDegree(long jarg1, Atom jarg1_)
public static final long Atom_getTotalDegree(long jarg1, Atom jarg1_)
public static final long Atom_getTotalNumHs__SWIG_0(long jarg1, Atom jarg1_, boolean jarg2)
public static final long Atom_getTotalNumHs__SWIG_1(long jarg1, Atom jarg1_)
public static final long Atom_getTotalValence(long jarg1, Atom jarg1_)
public static final long Atom_getNumImplicitHs(long jarg1, Atom jarg1_)
public static final int Atom_getExplicitValence(long jarg1, Atom jarg1_)
public static final int Atom_getImplicitValence(long jarg1, Atom jarg1_)
public static final long Atom_getNumRadicalElectrons(long jarg1, Atom jarg1_)
public static final void Atom_setNumRadicalElectrons(long jarg1, Atom jarg1_, long jarg2)
public static final int Atom_getFormalCharge(long jarg1, Atom jarg1_)
public static final void Atom_setFormalCharge(long jarg1, Atom jarg1_, int jarg2)
public static final void Atom_setNoImplicit(long jarg1, Atom jarg1_, boolean jarg2)
public static final boolean Atom_getNoImplicit(long jarg1, Atom jarg1_)
public static final void Atom_setNumExplicitHs(long jarg1, Atom jarg1_, long jarg2)
public static final long Atom_getNumExplicitHs(long jarg1, Atom jarg1_)
public static final void Atom_setIsAromatic(long jarg1, Atom jarg1_, boolean jarg2)
public static final boolean Atom_getIsAromatic(long jarg1, Atom jarg1_)
public static final double Atom_getMass(long jarg1, Atom jarg1_)
public static final void Atom_setIsotope(long jarg1, Atom jarg1_, long jarg2)
public static final long Atom_getIsotope(long jarg1, Atom jarg1_)
public static final void Atom_setChiralTag(long jarg1, Atom jarg1_, int jarg2)
public static final void Atom_invertChirality(long jarg1, Atom jarg1_)
public static final int Atom_getChiralTag(long jarg1, Atom jarg1_)
public static final void Atom_setHybridization(long jarg1, Atom jarg1_, int jarg2)
public static final int Atom_getHybridization(long jarg1, Atom jarg1_)
public static final boolean Atom_hasQuery(long jarg1, Atom jarg1_)
public static final void Atom_setQuery(long jarg1, Atom jarg1_, long jarg2)
public static final long Atom_getQuery(long jarg1, Atom jarg1_)
public static final void Atom_expandQuery__SWIG_0(long jarg1, Atom jarg1_, long jarg2, int jarg3, boolean jarg4)
public static final void Atom_expandQuery__SWIG_1(long jarg1, Atom jarg1_, long jarg2, int jarg3)
public static final void Atom_expandQuery__SWIG_2(long jarg1, Atom jarg1_, long jarg2)
public static final int Atom_getPerturbationOrder(long jarg1, Atom jarg1_, long jarg2, Int_List jarg2_)
public static final void Atom_updatePropertyCache__SWIG_0(long jarg1, Atom jarg1_, boolean jarg2)
public static final void Atom_updatePropertyCache__SWIG_1(long jarg1, Atom jarg1_)
public static final boolean Atom_needsUpdatePropertyCache(long jarg1, Atom jarg1_)
public static final int Atom_calcExplicitValence__SWIG_0(long jarg1, Atom jarg1_, boolean jarg2)
public static final int Atom_calcExplicitValence__SWIG_1(long jarg1, Atom jarg1_)
public static final int Atom_calcImplicitValence__SWIG_0(long jarg1, Atom jarg1_, boolean jarg2)
public static final int Atom_calcImplicitValence__SWIG_1(long jarg1, Atom jarg1_)
public static final long Atom_getMonomerInfo__SWIG_0(long jarg1, Atom jarg1_)
public static final void Atom_setMonomerInfo(long jarg1, Atom jarg1_, long jarg2, AtomMonomerInfo jarg2_)
public static final void Atom_setAtomMapNum__SWIG_0(long jarg1, Atom jarg1_, int jarg2, boolean jarg3)
public static final void Atom_setAtomMapNum__SWIG_1(long jarg1, Atom jarg1_, int jarg2)
public static final int Atom_getAtomMapNum(long jarg1, Atom jarg1_)
public static final java.lang.String Atom_getProp(long jarg1, Atom jarg1_, java.lang.String jarg2)
public static final void Atom_markConjAtomBonds(long jarg1, Atom jarg1_)
public static final int Atom_numBondsPlusLonePairs(long jarg1, Atom jarg1_)
public static final boolean Atom_atomHasConjugatedBond(long jarg1, Atom jarg1_)
public static final void Atom_transformAtom(long jarg1, Atom jarg1_, long jarg2, Transform3D jarg2_)
public static final boolean Atom_IsInRing(long jarg1, Atom jarg1_)
public static final boolean Atom_IsInRingSize(long jarg1, Atom jarg1_, int jarg2)
public static final long Atom_getBonds(long jarg1, Atom jarg1_)
public static final void setAtomRLabel(long jarg1, Atom jarg1_, int jarg2)
public static final int getAtomRLabel(long jarg1, Atom jarg1_)
public static final void setAtomAlias(long jarg1, Atom jarg1_, java.lang.String jarg2)
public static final java.lang.String getAtomAlias(long jarg1, Atom jarg1_)
public static final void setAtomValue(long jarg1, Atom jarg1_, java.lang.String jarg2)
public static final java.lang.String getAtomValue(long jarg1, Atom jarg1_)
public static final void setSupplementalSmilesLabel(long jarg1, Atom jarg1_, java.lang.String jarg2)
public static final java.lang.String getSupplementalSmilesLabel(long jarg1, Atom jarg1_)
public static final boolean isEarlyAtom(int jarg1)
public static final long new_AtomIterator__SWIG_0()
public static final long new_AtomIterator__SWIG_1(long jarg1, ROMol jarg1_)
public static final long new_AtomIterator__SWIG_2(long jarg1, ROMol jarg1_, int jarg2)
public static final long new_AtomIterator__SWIG_3(long jarg1, AtomIterator jarg1_)
public static final long AtomIterator_getAtom(long jarg1, AtomIterator jarg1_)
public static final boolean AtomIterator_eq(long jarg1, AtomIterator jarg1_, long jarg2, AtomIterator jarg2_)
public static final boolean AtomIterator_ne(long jarg1, AtomIterator jarg1_, long jarg2, AtomIterator jarg2_)
public static final long AtomIterator_next__SWIG_0(long jarg1, AtomIterator jarg1_)
public static final long AtomIterator_next__SWIG_1(long jarg1, AtomIterator jarg1_, int jarg2)
public static final long AtomIterator_prev__SWIG_0(long jarg1, AtomIterator jarg1_)
public static final long AtomIterator_prev__SWIG_1(long jarg1, AtomIterator jarg1_, int jarg2)
public static final void delete_AtomIterator(long jarg1)
public static final long new_HeteroatomIterator__SWIG_0()
public static final long new_HeteroatomIterator__SWIG_1(long jarg1, ROMol jarg1_)
public static final long new_HeteroatomIterator__SWIG_2(long jarg1, ROMol jarg1_, int jarg2)
public static final void delete_HeteroatomIterator(long jarg1)
public static final long new_HeteroatomIterator__SWIG_3(long jarg1, HeteroatomIterator jarg1_)
public static final boolean HeteroatomIterator_eq(long jarg1, HeteroatomIterator jarg1_, long jarg2, HeteroatomIterator jarg2_)
public static final boolean HeteroatomIterator_ne(long jarg1, HeteroatomIterator jarg1_, long jarg2, HeteroatomIterator jarg2_)
public static final long HeteroatomIterator_getAtom(long jarg1, HeteroatomIterator jarg1_)
public static final long HeteroatomIterator_next__SWIG_0(long jarg1, HeteroatomIterator jarg1_)
public static final long HeteroatomIterator_next__SWIG_1(long jarg1, HeteroatomIterator jarg1_, int jarg2)
public static final long HeteroatomIterator_prev__SWIG_0(long jarg1, HeteroatomIterator jarg1_)
public static final long HeteroatomIterator_prev__SWIG_1(long jarg1, HeteroatomIterator jarg1_, int jarg2)
public static final long new_AromaticAtomIterator__SWIG_0()
public static final long new_AromaticAtomIterator__SWIG_1(long jarg1, ROMol jarg1_)
public static final long new_AromaticAtomIterator__SWIG_2(long jarg1, ROMol jarg1_, int jarg2)
public static final void delete_AromaticAtomIterator(long jarg1)
public static final long new_AromaticAtomIterator__SWIG_3(long jarg1, AromaticAtomIterator jarg1_)
public static final boolean AromaticAtomIterator_eq(long jarg1, AromaticAtomIterator jarg1_, long jarg2, AromaticAtomIterator jarg2_)
public static final boolean AromaticAtomIterator_ne(long jarg1, AromaticAtomIterator jarg1_, long jarg2, AromaticAtomIterator jarg2_)
public static final long AromaticAtomIterator_getAtom(long jarg1, AromaticAtomIterator jarg1_)
public static final long AromaticAtomIterator_next__SWIG_0(long jarg1, AromaticAtomIterator jarg1_)
public static final long AromaticAtomIterator_next__SWIG_1(long jarg1, AromaticAtomIterator jarg1_, int jarg2)
public static final long AromaticAtomIterator_prev__SWIG_0(long jarg1, AromaticAtomIterator jarg1_)
public static final long AromaticAtomIterator_prev__SWIG_1(long jarg1, AromaticAtomIterator jarg1_, int jarg2)
public static final long new_QueryAtomIterator__SWIG_0()
public static final long new_QueryAtomIterator__SWIG_1(long jarg1, ROMol jarg1_, long jarg2, QueryAtom jarg2_)
public static final long new_QueryAtomIterator__SWIG_2(long jarg1, ROMol jarg1_, int jarg2)
public static final void delete_QueryAtomIterator(long jarg1)
public static final long new_QueryAtomIterator__SWIG_3(long jarg1, QueryAtomIterator jarg1_)
public static final boolean QueryAtomIterator_eq(long jarg1, QueryAtomIterator jarg1_, long jarg2, QueryAtomIterator jarg2_)
public static final boolean QueryAtomIterator_ne(long jarg1, QueryAtomIterator jarg1_, long jarg2, QueryAtomIterator jarg2_)
public static final long QueryAtomIterator_getAtom(long jarg1, QueryAtomIterator jarg1_)
public static final long QueryAtomIterator_next__SWIG_0(long jarg1, QueryAtomIterator jarg1_)
public static final long QueryAtomIterator_next__SWIG_1(long jarg1, QueryAtomIterator jarg1_, int jarg2)
public static final long QueryAtomIterator_prev__SWIG_0(long jarg1, QueryAtomIterator jarg1_)
public static final long QueryAtomIterator_prev__SWIG_1(long jarg1, QueryAtomIterator jarg1_, int jarg2)
public static final int ci_SPARSEINTVECT_VERSION_get()
public static final long new_SparseIntVectu32__SWIG_0()
public static final long new_SparseIntVectu32__SWIG_1(long jarg1)
public static final long new_SparseIntVectu32__SWIG_2(long jarg1, SparseIntVectu32 jarg1_)
public static final long new_SparseIntVectu32__SWIG_3(java.lang.String jarg1)
public static final long new_SparseIntVectu32__SWIG_4(java.lang.String jarg1, long jarg2)
public static final void delete_SparseIntVectu32(long jarg1)
public static final int SparseIntVectu32_getVal(long jarg1, SparseIntVectu32 jarg1_, long jarg2)
public static final void SparseIntVectu32_setVal(long jarg1, SparseIntVectu32 jarg1_, long jarg2, int jarg3)
public static final long SparseIntVectu32_getLength(long jarg1, SparseIntVectu32 jarg1_)
public static final int SparseIntVectu32_getTotalVal__SWIG_0(long jarg1, SparseIntVectu32 jarg1_, boolean jarg2)
public static final int SparseIntVectu32_getTotalVal__SWIG_1(long jarg1, SparseIntVectu32 jarg1_)
public static final long SparseIntVectu32_size(long jarg1, SparseIntVectu32 jarg1_)
public static final long SparseIntVectu32_getNonzeroElements(long jarg1, SparseIntVectu32 jarg1_)
public static final boolean SparseIntVectu32_eq(long jarg1, SparseIntVectu32 jarg1_, long jarg2, SparseIntVectu32 jarg2_)
public static final boolean SparseIntVectu32_ne(long jarg1, SparseIntVectu32 jarg1_, long jarg2, SparseIntVectu32 jarg2_)
public static final java.lang.String SparseIntVectu32_toString(long jarg1, SparseIntVectu32 jarg1_)
public static final void SparseIntVectu32_fromString(long jarg1, SparseIntVectu32 jarg1_, java.lang.String jarg2)
public static final long SparseIntVectu32_getNonzero(long jarg1, SparseIntVectu32 jarg1_)
public static final long new_SparseIntVect32__SWIG_0()
public static final long new_SparseIntVect32__SWIG_1(int jarg1)
public static final long new_SparseIntVect32__SWIG_2(long jarg1, SparseIntVect32 jarg1_)
public static final long new_SparseIntVect32__SWIG_3(java.lang.String jarg1)
public static final long new_SparseIntVect32__SWIG_4(java.lang.String jarg1, long jarg2)
public static final void delete_SparseIntVect32(long jarg1)
public static final int SparseIntVect32_getVal(long jarg1, SparseIntVect32 jarg1_, int jarg2)
public static final void SparseIntVect32_setVal(long jarg1, SparseIntVect32 jarg1_, int jarg2, int jarg3)
public static final int SparseIntVect32_getLength(long jarg1, SparseIntVect32 jarg1_)
public static final int SparseIntVect32_getTotalVal__SWIG_0(long jarg1, SparseIntVect32 jarg1_, boolean jarg2)
public static final int SparseIntVect32_getTotalVal__SWIG_1(long jarg1, SparseIntVect32 jarg1_)
public static final long SparseIntVect32_size(long jarg1, SparseIntVect32 jarg1_)
public static final long SparseIntVect32_getNonzeroElements(long jarg1, SparseIntVect32 jarg1_)
public static final boolean SparseIntVect32_eq(long jarg1, SparseIntVect32 jarg1_, long jarg2, SparseIntVect32 jarg2_)
public static final boolean SparseIntVect32_ne(long jarg1, SparseIntVect32 jarg1_, long jarg2, SparseIntVect32 jarg2_)
public static final java.lang.String SparseIntVect32_toString(long jarg1, SparseIntVect32 jarg1_)
public static final void SparseIntVect32_fromString(long jarg1, SparseIntVect32 jarg1_, java.lang.String jarg2)
public static final long SparseIntVect32_getNonzero(long jarg1, SparseIntVect32 jarg1_)
public static final long new_SparseIntVect64__SWIG_0()
public static final long new_SparseIntVect64__SWIG_1(long jarg1)
public static final long new_SparseIntVect64__SWIG_2(long jarg1, SparseIntVect64 jarg1_)
public static final long new_SparseIntVect64__SWIG_3(java.lang.String jarg1)
public static final long new_SparseIntVect64__SWIG_4(java.lang.String jarg1, long jarg2)
public static final void delete_SparseIntVect64(long jarg1)
public static final int SparseIntVect64_getVal(long jarg1, SparseIntVect64 jarg1_, long jarg2)
public static final void SparseIntVect64_setVal(long jarg1, SparseIntVect64 jarg1_, long jarg2, int jarg3)
public static final long SparseIntVect64_getLength(long jarg1, SparseIntVect64 jarg1_)
public static final int SparseIntVect64_getTotalVal__SWIG_0(long jarg1, SparseIntVect64 jarg1_, boolean jarg2)
public static final int SparseIntVect64_getTotalVal__SWIG_1(long jarg1, SparseIntVect64 jarg1_)
public static final long SparseIntVect64_size(long jarg1, SparseIntVect64 jarg1_)
public static final long SparseIntVect64_getNonzeroElements(long jarg1, SparseIntVect64 jarg1_)
public static final boolean SparseIntVect64_eq(long jarg1, SparseIntVect64 jarg1_, long jarg2, SparseIntVect64 jarg2_)
public static final boolean SparseIntVect64_ne(long jarg1, SparseIntVect64 jarg1_, long jarg2, SparseIntVect64 jarg2_)
public static final java.lang.String SparseIntVect64_toString(long jarg1, SparseIntVect64 jarg1_)
public static final void SparseIntVect64_fromString(long jarg1, SparseIntVect64 jarg1_, java.lang.String jarg2)
public static final long SparseIntVect64_getNonzero(long jarg1, SparseIntVect64 jarg1_)
public static final java.lang.String atomPairsVersion_get()
public static final long getAtomPairFingerprint__SWIG_0(long jarg1, ROMol jarg1_, long jarg2, long jarg3, long jarg4, UInt_Vect jarg4_, long jarg5, UInt_Vect jarg5_, long jarg6, UInt_Vect jarg6_, boolean jarg7, boolean jarg8, int jarg9)
public static final long getAtomPairFingerprint__SWIG_1(long jarg1, ROMol jarg1_, long jarg2, long jarg3, long jarg4, UInt_Vect jarg4_, long jarg5, UInt_Vect jarg5_, long jarg6, UInt_Vect jarg6_, boolean jarg7, boolean jarg8)
public static final long getAtomPairFingerprint__SWIG_2(long jarg1, ROMol jarg1_, long jarg2, long jarg3, long jarg4, UInt_Vect jarg4_, long jarg5, UInt_Vect jarg5_, long jarg6, UInt_Vect jarg6_, boolean jarg7)
public static final long getAtomPairFingerprint__SWIG_3(long jarg1, ROMol jarg1_, long jarg2, long jarg3, long jarg4, UInt_Vect jarg4_, long jarg5, UInt_Vect jarg5_, long jarg6, UInt_Vect jarg6_)
public static final long getAtomPairFingerprint__SWIG_4(long jarg1, ROMol jarg1_, long jarg2, long jarg3, long jarg4, UInt_Vect jarg4_, long jarg5, UInt_Vect jarg5_)
public static final long getAtomPairFingerprint__SWIG_5(long jarg1, ROMol jarg1_, long jarg2, long jarg3, long jarg4, UInt_Vect jarg4_)
public static final long getAtomPairFingerprint__SWIG_6(long jarg1, ROMol jarg1_, long jarg2, long jarg3)
public static final long getAtomPairFingerprint__SWIG_7(long jarg1, ROMol jarg1_, long jarg2, UInt_Vect jarg2_, long jarg3, UInt_Vect jarg3_, long jarg4, UInt_Vect jarg4_, boolean jarg5, boolean jarg6, int jarg7)
public static final long getAtomPairFingerprint__SWIG_8(long jarg1, ROMol jarg1_, long jarg2, UInt_Vect jarg2_, long jarg3, UInt_Vect jarg3_, long jarg4, UInt_Vect jarg4_, boolean jarg5, boolean jarg6)
public static final long getAtomPairFingerprint__SWIG_9(long jarg1, ROMol jarg1_, long jarg2, UInt_Vect jarg2_, long jarg3, UInt_Vect jarg3_, long jarg4, UInt_Vect jarg4_, boolean jarg5)
public static final long getAtomPairFingerprint__SWIG_10(long jarg1, ROMol jarg1_, long jarg2, UInt_Vect jarg2_, long jarg3, UInt_Vect jarg3_, long jarg4, UInt_Vect jarg4_)
public static final long getAtomPairFingerprint__SWIG_11(long jarg1, ROMol jarg1_, long jarg2, UInt_Vect jarg2_, long jarg3, UInt_Vect jarg3_)
public static final long getAtomPairFingerprint__SWIG_12(long jarg1, ROMol jarg1_, long jarg2, UInt_Vect jarg2_)
public static final long getAtomPairFingerprint__SWIG_13(long jarg1, ROMol jarg1_)
public static final long getHashedAtomPairFingerprint__SWIG_0(long jarg1, ROMol jarg1_, long jarg2, long jarg3, long jarg4, long jarg5, UInt_Vect jarg5_, long jarg6, UInt_Vect jarg6_, long jarg7, UInt_Vect jarg7_, boolean jarg8, boolean jarg9, int jarg10)
public static final long getHashedAtomPairFingerprint__SWIG_1(long jarg1, ROMol jarg1_, long jarg2, long jarg3, long jarg4, long jarg5, UInt_Vect jarg5_, long jarg6, UInt_Vect jarg6_, long jarg7, UInt_Vect jarg7_, boolean jarg8, boolean jarg9)
public static final long getHashedAtomPairFingerprint__SWIG_2(long jarg1, ROMol jarg1_, long jarg2, long jarg3, long jarg4, long jarg5, UInt_Vect jarg5_, long jarg6, UInt_Vect jarg6_, long jarg7, UInt_Vect jarg7_, boolean jarg8)
public static final long getHashedAtomPairFingerprint__SWIG_3(long jarg1, ROMol jarg1_, long jarg2, long jarg3, long jarg4, long jarg5, UInt_Vect jarg5_, long jarg6, UInt_Vect jarg6_, long jarg7, UInt_Vect jarg7_)
public static final long getHashedAtomPairFingerprint__SWIG_4(long jarg1, ROMol jarg1_, long jarg2, long jarg3, long jarg4, long jarg5, UInt_Vect jarg5_, long jarg6, UInt_Vect jarg6_)
public static final long getHashedAtomPairFingerprint__SWIG_5(long jarg1, ROMol jarg1_, long jarg2, long jarg3, long jarg4, long jarg5, UInt_Vect jarg5_)
public static final long getHashedAtomPairFingerprint__SWIG_6(long jarg1, ROMol jarg1_, long jarg2, long jarg3, long jarg4)
public static final long getHashedAtomPairFingerprint__SWIG_7(long jarg1, ROMol jarg1_, long jarg2, long jarg3)
public static final long getHashedAtomPairFingerprint__SWIG_8(long jarg1, ROMol jarg1_, long jarg2)
public static final long getHashedAtomPairFingerprint__SWIG_9(long jarg1, ROMol jarg1_)
public static final long getHashedAtomPairFingerprintAsBitVect__SWIG_0(long jarg1, ROMol jarg1_, long jarg2, long jarg3, long jarg4, long jarg5, UInt_Vect jarg5_, long jarg6, UInt_Vect jarg6_, long jarg7, UInt_Vect jarg7_, long jarg8, boolean jarg9, boolean jarg10, int jarg11)
public static final long getHashedAtomPairFingerprintAsBitVect__SWIG_1(long jarg1, ROMol jarg1_, long jarg2, long jarg3, long jarg4, long jarg5, UInt_Vect jarg5_, long jarg6, UInt_Vect jarg6_, long jarg7, UInt_Vect jarg7_, long jarg8, boolean jarg9, boolean jarg10)
public static final long getHashedAtomPairFingerprintAsBitVect__SWIG_2(long jarg1, ROMol jarg1_, long jarg2, long jarg3, long jarg4, long jarg5, UInt_Vect jarg5_, long jarg6, UInt_Vect jarg6_, long jarg7, UInt_Vect jarg7_, long jarg8, boolean jarg9)
public static final long getHashedAtomPairFingerprintAsBitVect__SWIG_3(long jarg1, ROMol jarg1_, long jarg2, long jarg3, long jarg4, long jarg5, UInt_Vect jarg5_, long jarg6, UInt_Vect jarg6_, long jarg7, UInt_Vect jarg7_, long jarg8)
public static final long getHashedAtomPairFingerprintAsBitVect__SWIG_4(long jarg1, ROMol jarg1_, long jarg2, long jarg3, long jarg4, long jarg5, UInt_Vect jarg5_, long jarg6, UInt_Vect jarg6_, long jarg7, UInt_Vect jarg7_)
public static final long getHashedAtomPairFingerprintAsBitVect__SWIG_5(long jarg1, ROMol jarg1_, long jarg2, long jarg3, long jarg4, long jarg5, UInt_Vect jarg5_, long jarg6, UInt_Vect jarg6_)
public static final long getHashedAtomPairFingerprintAsBitVect__SWIG_6(long jarg1, ROMol jarg1_, long jarg2, long jarg3, long jarg4, long jarg5, UInt_Vect jarg5_)
public static final long getHashedAtomPairFingerprintAsBitVect__SWIG_7(long jarg1, ROMol jarg1_, long jarg2, long jarg3, long jarg4)
public static final long getHashedAtomPairFingerprintAsBitVect__SWIG_8(long jarg1, ROMol jarg1_, long jarg2, long jarg3)
public static final long getHashedAtomPairFingerprintAsBitVect__SWIG_9(long jarg1, ROMol jarg1_, long jarg2)
public static final long getHashedAtomPairFingerprintAsBitVect__SWIG_10(long jarg1, ROMol jarg1_)
public static final long getTopologicalTorsionFingerprint__SWIG_0(long jarg1, ROMol jarg1_, long jarg2, long jarg3, UInt_Vect jarg3_, long jarg4, UInt_Vect jarg4_, long jarg5, UInt_Vect jarg5_, boolean jarg6)
public static final long getTopologicalTorsionFingerprint__SWIG_1(long jarg1, ROMol jarg1_, long jarg2, long jarg3, UInt_Vect jarg3_, long jarg4, UInt_Vect jarg4_, long jarg5, UInt_Vect jarg5_)
public static final long getTopologicalTorsionFingerprint__SWIG_2(long jarg1, ROMol jarg1_, long jarg2, long jarg3, UInt_Vect jarg3_, long jarg4, UInt_Vect jarg4_)
public static final long getTopologicalTorsionFingerprint__SWIG_3(long jarg1, ROMol jarg1_, long jarg2, long jarg3, UInt_Vect jarg3_)
public static final long getTopologicalTorsionFingerprint__SWIG_4(long jarg1, ROMol jarg1_, long jarg2)
public static final long getTopologicalTorsionFingerprint__SWIG_5(long jarg1, ROMol jarg1_)
public static final long getHashedTopologicalTorsionFingerprint__SWIG_0(long jarg1, ROMol jarg1_, long jarg2, long jarg3, long jarg4, UInt_Vect jarg4_, long jarg5, UInt_Vect jarg5_, long jarg6, UInt_Vect jarg6_, boolean jarg7)
public static final long getHashedTopologicalTorsionFingerprint__SWIG_1(long jarg1, ROMol jarg1_, long jarg2, long jarg3, long jarg4, UInt_Vect jarg4_, long jarg5, UInt_Vect jarg5_, long jarg6, UInt_Vect jarg6_)
public static final long getHashedTopologicalTorsionFingerprint__SWIG_2(long jarg1, ROMol jarg1_, long jarg2, long jarg3, long jarg4, UInt_Vect jarg4_, long jarg5, UInt_Vect jarg5_)
public static final long getHashedTopologicalTorsionFingerprint__SWIG_3(long jarg1, ROMol jarg1_, long jarg2, long jarg3, long jarg4, UInt_Vect jarg4_)
public static final long getHashedTopologicalTorsionFingerprint__SWIG_4(long jarg1, ROMol jarg1_, long jarg2, long jarg3)
public static final long getHashedTopologicalTorsionFingerprint__SWIG_5(long jarg1, ROMol jarg1_, long jarg2)
public static final long getHashedTopologicalTorsionFingerprint__SWIG_6(long jarg1, ROMol jarg1_)
public static final long getHashedTopologicalTorsionFingerprintAsBitVect__SWIG_0(long jarg1, ROMol jarg1_, long jarg2, long jarg3, long jarg4, UInt_Vect jarg4_, long jarg5, UInt_Vect jarg5_, long jarg6, UInt_Vect jarg6_, long jarg7, boolean jarg8)
public static final long getHashedTopologicalTorsionFingerprintAsBitVect__SWIG_1(long jarg1, ROMol jarg1_, long jarg2, long jarg3, long jarg4, UInt_Vect jarg4_, long jarg5, UInt_Vect jarg5_, long jarg6, UInt_Vect jarg6_, long jarg7)
public static final long getHashedTopologicalTorsionFingerprintAsBitVect__SWIG_2(long jarg1, ROMol jarg1_, long jarg2, long jarg3, long jarg4, UInt_Vect jarg4_, long jarg5, UInt_Vect jarg5_, long jarg6, UInt_Vect jarg6_)
public static final long getHashedTopologicalTorsionFingerprintAsBitVect__SWIG_3(long jarg1, ROMol jarg1_, long jarg2, long jarg3, long jarg4, UInt_Vect jarg4_, long jarg5, UInt_Vect jarg5_)
public static final long getHashedTopologicalTorsionFingerprintAsBitVect__SWIG_4(long jarg1, ROMol jarg1_, long jarg2, long jarg3, long jarg4, UInt_Vect jarg4_)
public static final long getHashedTopologicalTorsionFingerprintAsBitVect__SWIG_5(long jarg1, ROMol jarg1_, long jarg2, long jarg3)
public static final long getHashedTopologicalTorsionFingerprintAsBitVect__SWIG_6(long jarg1, ROMol jarg1_, long jarg2)
public static final long getHashedTopologicalTorsionFingerprintAsBitVect__SWIG_7(long jarg1, ROMol jarg1_)
public static final int MAX_NATOMS_get()
public static final int MAX_CYCLES_get()
public static final int MAX_BONDTYPE_get()
public static final int WHITE_NODE_get()
public static final int MOL_STACK_ATOM_get()
public static final void MolStackUnion_atom_set(long jarg1, MolStackUnion jarg1_, long jarg2, Atom jarg2_)
public static final long MolStackUnion_atom_get(long jarg1, MolStackUnion jarg1_)
public static final void MolStackUnion_bond_set(long jarg1, MolStackUnion jarg1_, long jarg2, Bond jarg2_)
public static final long MolStackUnion_bond_get(long jarg1, MolStackUnion jarg1_)
public static final long new_MolStackUnion()
public static final void delete_MolStackUnion(long jarg1)
public static final long new_MolStackElem__SWIG_0(long jarg1, Atom jarg1_)
public static final long new_MolStackElem__SWIG_1(long jarg1, Bond jarg1_, int jarg2)
public static final long new_MolStackElem__SWIG_2(int jarg1)
public static final long new_MolStackElem__SWIG_3(java.lang.String jarg1, int jarg2)
public static final void MolStackElem_type_set(long jarg1, MolStackElem jarg1_, int jarg2)
public static final int MolStackElem_type_get(long jarg1, MolStackElem jarg1_)
public static final void MolStackElem_obj_set(long jarg1, MolStackElem jarg1_, long jarg2, MolStackUnion jarg2_)
public static final long MolStackElem_obj_get(long jarg1, MolStackElem jarg1_)
public static final void MolStackElem_number_set(long jarg1, MolStackElem jarg1_, int jarg2)
public static final int MolStackElem_number_get(long jarg1, MolStackElem jarg1_)
public static final void delete_MolStackElem(long jarg1)
public static final void canonicalizeFragment__SWIG_0(long jarg1, ROMol jarg1_, int jarg2, long jarg3, long jarg4, UInt_Vect jarg4_, long jarg5, long jarg6, long jarg7, Str_Vect jarg7_, boolean jarg8, boolean jarg9)
public static final void canonicalizeFragment__SWIG_1(long jarg1, ROMol jarg1_, int jarg2, long jarg3, long jarg4, UInt_Vect jarg4_, long jarg5, long jarg6, long jarg7, Str_Vect jarg7_, boolean jarg8)
public static final void canonicalizeFragment__SWIG_2(long jarg1, ROMol jarg1_, int jarg2, long jarg3, long jarg4, UInt_Vect jarg4_, long jarg5, long jarg6, long jarg7, Str_Vect jarg7_)
public static final void canonicalizeFragment__SWIG_3(long jarg1, ROMol jarg1_, int jarg2, long jarg3, long jarg4, UInt_Vect jarg4_, long jarg5, long jarg6)
public static final void canonicalizeFragment__SWIG_4(long jarg1, ROMol jarg1_, int jarg2, long jarg3, long jarg4, UInt_Vect jarg4_, long jarg5)
public static final boolean chiralAtomNeedsTagInversion(long jarg1, ROMol jarg1_, long jarg2, Atom jarg2_, boolean jarg3, long jarg4)
public static final long new_QueryAtom__SWIG_0()
public static final long new_QueryAtom__SWIG_1(int jarg1)
public static final long new_QueryAtom__SWIG_2(long jarg1, Atom jarg1_)
public static final long new_QueryAtom__SWIG_3(long jarg1, QueryAtom jarg1_)
public static final void delete_QueryAtom(long jarg1)
public static final long QueryAtom_copy(long jarg1, QueryAtom jarg1_)
public static final boolean QueryAtom_hasQuery(long jarg1, QueryAtom jarg1_)
public static final void QueryAtom_setQuery(long jarg1, QueryAtom jarg1_, long jarg2)
public static final long QueryAtom_getQuery(long jarg1, QueryAtom jarg1_)
public static final void QueryAtom_expandQuery__SWIG_0(long jarg1, QueryAtom jarg1_, long jarg2, int jarg3, boolean jarg4)
public static final void QueryAtom_expandQuery__SWIG_1(long jarg1, QueryAtom jarg1_, long jarg2, int jarg3)
public static final void QueryAtom_expandQuery__SWIG_2(long jarg1, QueryAtom jarg1_, long jarg2)
public static final boolean QueryAtom_QueryMatch(long jarg1, QueryAtom jarg1_, long jarg2, QueryAtom jarg2_)
public static final java.lang.String qhelper__SWIG_0(long jarg1, long jarg2)
public static final java.lang.String describeQuery__SWIG_0(long jarg1, Atom jarg1_)
public static final long new_QueryBond__SWIG_0()
public static final long new_QueryBond__SWIG_1(int jarg1)
public static final long new_QueryBond__SWIG_2(long jarg1, Bond jarg1_)
public static final long new_QueryBond__SWIG_3(long jarg1, QueryBond jarg1_)
public static final void delete_QueryBond(long jarg1)
public static final long QueryBond_copy(long jarg1, QueryBond jarg1_)
public static final void QueryBond_setBondType(long jarg1, QueryBond jarg1_, int jarg2)
public static final void QueryBond_setBondDir(long jarg1, QueryBond jarg1_, int jarg2)
public static final boolean QueryBond_QueryMatch(long jarg1, QueryBond jarg1_, long jarg2, QueryBond jarg2_)
public static final boolean QueryBond_hasQuery(long jarg1, QueryBond jarg1_)
public static final long QueryBond_getQuery(long jarg1, QueryBond jarg1_)
public static final void QueryBond_setQuery(long jarg1, QueryBond jarg1_, long jarg2)
public static final void QueryBond_expandQuery__SWIG_0(long jarg1, QueryBond jarg1_, long jarg2, int jarg3, boolean jarg4)
public static final void QueryBond_expandQuery__SWIG_1(long jarg1, QueryBond jarg1_, long jarg2, int jarg3)
public static final void QueryBond_expandQuery__SWIG_2(long jarg1, QueryBond jarg1_, long jarg2)
public static final java.lang.String qhelper__SWIG_1(long jarg1, long jarg2)
public static final java.lang.String describeQuery__SWIG_1(long jarg1, Bond jarg1_)
public static final int queryAtomAromatic(long jarg1, Atom jarg1_)
public static final int queryAtomAliphatic(long jarg1, Atom jarg1_)
public static final int queryAtomExplicitDegree(long jarg1, Atom jarg1_)
public static final int queryAtomTotalDegree(long jarg1, Atom jarg1_)
public static final int queryAtomNonHydrogenDegree(long jarg1, Atom jarg1_)
public static final int queryAtomHeavyAtomDegree(long jarg1, Atom jarg1_)
public static final int queryAtomHCount(long jarg1, Atom jarg1_)
public static final int queryAtomImplicitHCount(long jarg1, Atom jarg1_)
public static final int queryAtomHasImplicitH(long jarg1, Atom jarg1_)
public static final int queryAtomImplicitValence(long jarg1, Atom jarg1_)
public static final int queryAtomExplicitValence(long jarg1, Atom jarg1_)
public static final int queryAtomTotalValence(long jarg1, Atom jarg1_)
public static final int queryAtomUnsaturated(long jarg1, Atom jarg1_)
public static final int queryAtomNum(long jarg1, Atom jarg1_)
public static final int makeAtomType(int jarg1, boolean jarg2)
public static final void parseAtomType(int jarg1, long jarg2, long jarg3)
public static final boolean getAtomTypeIsAromatic(int jarg1)
public static final int getAtomTypeAtomicNum(int jarg1)
public static final int queryAtomType(long jarg1, Atom jarg1_)
public static final int massIntegerConversionFactor_get()
public static final int queryAtomMass(long jarg1, Atom jarg1_)
public static final int queryAtomIsotope(long jarg1, Atom jarg1_)
public static final int queryAtomFormalCharge(long jarg1, Atom jarg1_)
public static final int queryAtomNegativeFormalCharge(long jarg1, Atom jarg1_)
public static final int queryAtomHybridization(long jarg1, Atom jarg1_)
public static final int queryAtomNumRadicalElectrons(long jarg1, Atom jarg1_)
public static final int queryAtomHasChiralTag(long jarg1, Atom jarg1_)
public static final int queryAtomMissingChiralTag(long jarg1, Atom jarg1_)
public static final int queryAtomHasHeteroatomNbrs(long jarg1, Atom jarg1_)
public static final int queryAtomNumHeteroatomNbrs(long jarg1, Atom jarg1_)
public static final int queryAtomHasAliphaticHeteroatomNbrs(long jarg1, Atom jarg1_)
public static final int queryAtomNumAliphaticHeteroatomNbrs(long jarg1, Atom jarg1_)
public static final long queryAtomBondProduct(long jarg1, Atom jarg1_)
public static final long queryAtomAllBondProduct(long jarg1, Atom jarg1_)
public static final int queryBondOrder(long jarg1, Bond jarg1_)
public static final int queryBondIsSingleOrAromatic(long jarg1, Bond jarg1_)
public static final int queryBondDir(long jarg1, Bond jarg1_)
public static final int queryIsBondInNRings(long jarg1, Bond jarg1_)
public static final int queryBondHasStereo(long jarg1, Bond jarg1_)
public static final int queryIsAtomInNRings(long jarg1, Atom jarg1_)
public static final int queryIsAtomInRing(long jarg1, Atom jarg1_)
public static final int queryAtomHasRingBond(long jarg1, Atom jarg1_)
public static final int queryIsBondInRing(long jarg1, Bond jarg1_)
public static final int queryAtomMinRingSize(long jarg1, Atom jarg1_)
public static final int queryBondMinRingSize(long jarg1, Bond jarg1_)
public static final int queryAtomRingBondCount(long jarg1, Atom jarg1_)
public static final long makeAtomRangeQuery__SWIG_0(int jarg1, int jarg2, boolean jarg3, boolean jarg4, long jarg5, java.lang.String jarg6)
public static final long makeAtomRangeQuery__SWIG_1(int jarg1, int jarg2, boolean jarg3, boolean jarg4, long jarg5)
public static final long makeAtomNumQuery(int jarg1)
public static final long makeAtomTypeQuery(int jarg1, int jarg2)
public static final long makeAtomImplicitValenceQuery(int jarg1)
public static final long makeAtomExplicitValenceQuery(int jarg1)
public static final long makeAtomTotalValenceQuery(int jarg1)
public static final long makeAtomExplicitDegreeQuery(int jarg1)
public static final long makeAtomTotalDegreeQuery(int jarg1)
public static final long makeAtomHeavyAtomDegreeQuery(int jarg1)
public static final long makeAtomHCountQuery(int jarg1)
public static final long makeAtomHasImplicitHQuery()
public static final long makeAtomImplicitHCountQuery(int jarg1)
public static final long makeAtomAromaticQuery()
public static final long makeAtomAliphaticQuery()
public static final long makeAtomMassQuery(int jarg1)
public static final long makeAtomIsotopeQuery(int jarg1)
public static final long makeAtomFormalChargeQuery(int jarg1)
public static final long makeAtomNegativeFormalChargeQuery(int jarg1)
public static final long makeAtomHybridizationQuery(int jarg1)
public static final long makeAtomNumRadicalElectronsQuery(int jarg1)
public static final long makeAtomHasChiralTagQuery()
public static final long makeAtomMissingChiralTagQuery()
public static final long makeAtomUnsaturatedQuery()
public static final long makeAtomInRingQuery()
public static final long makeAtomInNRingsQuery(int jarg1)
public static final long makeAtomInRingOfSizeQuery(int jarg1)
public static final long makeAtomMinRingSizeQuery(int jarg1)
public static final long makeAtomRingBondCountQuery(int jarg1)
public static final long makeAAtomQuery()
public static final long makeAHAtomQuery()
public static final long makeQAtomQuery()
public static final long makeQHAtomQuery()
public static final long makeXAtomQuery()
public static final long makeXHAtomQuery()
public static final long makeMAtomQuery()
public static final long makeMHAtomQuery()
public static final long makeAtomHasRingBondQuery()
public static final long makeAtomNumHeteroatomNbrsQuery(int jarg1)
public static final long makeAtomHasHeteroatomNbrsQuery()
public static final long makeAtomNumAliphaticHeteroatomNbrsQuery(int jarg1)
public static final long makeAtomHasAliphaticHeteroatomNbrsQuery()
public static final long makeBondOrderEqualsQuery(int jarg1)
public static final long makeSingleOrAromaticBondQuery()
public static final long makeBondDirEqualsQuery(int jarg1)
public static final long makeBondHasStereoQuery()
public static final long makeBondIsInRingQuery()
public static final long makeBondInRingOfSizeQuery(int jarg1)
public static final long makeBondMinRingSizeQuery(int jarg1)
public static final long makeBondInNRingsQuery(int jarg1)
public static final long makeBondNullQuery()
public static final long makeAtomNullQuery()
public static final int queryAtomRingMembership(long jarg1, Atom jarg1_)
public static final long new_AtomRingQuery__SWIG_0()
public static final long new_AtomRingQuery__SWIG_1(int jarg1)
public static final boolean AtomRingQuery_Match(long jarg1, AtomRingQuery jarg1_, long jarg2, Atom jarg2_)
public static final long AtomRingQuery_copy(long jarg1, AtomRingQuery jarg1_)
public static final void delete_AtomRingQuery(long jarg1)
public static final long new_RecursiveStructureQuery__SWIG_0()
public static final long new_RecursiveStructureQuery__SWIG_1(long jarg1, ROMol jarg1_, long jarg2)
public static final long new_RecursiveStructureQuery__SWIG_2(long jarg1, ROMol jarg1_)
public static final int RecursiveStructureQuery_getAtIdx(long jarg1, Atom jarg1_)
public static final void RecursiveStructureQuery_setQueryMol(long jarg1, RecursiveStructureQuery jarg1_, long jarg2, ROMol jarg2_)
public static final long RecursiveStructureQuery_getQueryMol(long jarg1, RecursiveStructureQuery jarg1_)
public static final long RecursiveStructureQuery_copy(long jarg1, RecursiveStructureQuery jarg1_)
public static final long RecursiveStructureQuery_getSerialNumber(long jarg1, RecursiveStructureQuery jarg1_)
public static final void delete_RecursiveStructureQuery(long jarg1)
public static final boolean isComplexQuery__SWIG_0(long jarg1, Bond jarg1_)
public static final boolean isComplexQuery__SWIG_1(long jarg1, Atom jarg1_)
public static final boolean isAtomAromatic(long jarg1, Atom jarg1_)
public static final int AtomMonomerInfo_UNKNOWN_get()
public static final void delete_AtomMonomerInfo(long jarg1)
public static final long new_AtomMonomerInfo__SWIG_0()
public static final long new_AtomMonomerInfo__SWIG_1(int jarg1, java.lang.String jarg2)
public static final long new_AtomMonomerInfo__SWIG_2(int jarg1)
public static final long new_AtomMonomerInfo__SWIG_3(long jarg1, AtomMonomerInfo jarg1_)
public static final java.lang.String AtomMonomerInfo_getName(long jarg1, AtomMonomerInfo jarg1_)
public static final void AtomMonomerInfo_setName(long jarg1, AtomMonomerInfo jarg1_, java.lang.String jarg2)
public static final int AtomMonomerInfo_getMonomerType(long jarg1, AtomMonomerInfo jarg1_)
public static final void AtomMonomerInfo_setMonomerType(long jarg1, AtomMonomerInfo jarg1_, int jarg2)
public static final long AtomMonomerInfo_copy(long jarg1, AtomMonomerInfo jarg1_)
public static final long new_AtomPDBResidueInfo__SWIG_0()
public static final long new_AtomPDBResidueInfo__SWIG_1(long jarg1, AtomPDBResidueInfo jarg1_)
public static final long new_AtomPDBResidueInfo__SWIG_2(java.lang.String jarg1, int jarg2, java.lang.String jarg3, java.lang.String jarg4, int jarg5, java.lang.String jarg6, java.lang.String jarg7, double jarg8, double jarg9, boolean jarg10, long jarg11, long jarg12)
public static final long new_AtomPDBResidueInfo__SWIG_3(java.lang.String jarg1, int jarg2, java.lang.String jarg3, java.lang.String jarg4, int jarg5, java.lang.String jarg6, java.lang.String jarg7, double jarg8, double jarg9, boolean jarg10, long jarg11)
public static final long new_AtomPDBResidueInfo__SWIG_4(java.lang.String jarg1, int jarg2, java.lang.String jarg3, java.lang.String jarg4, int jarg5, java.lang.String jarg6, java.lang.String jarg7, double jarg8, double jarg9, boolean jarg10)
public static final long new_AtomPDBResidueInfo__SWIG_5(java.lang.String jarg1, int jarg2, java.lang.String jarg3, java.lang.String jarg4, int jarg5, java.lang.String jarg6, java.lang.String jarg7, double jarg8, double jarg9)
public static final long new_AtomPDBResidueInfo__SWIG_6(java.lang.String jarg1, int jarg2, java.lang.String jarg3, java.lang.String jarg4, int jarg5, java.lang.String jarg6, java.lang.String jarg7, double jarg8)
public static final long new_AtomPDBResidueInfo__SWIG_7(java.lang.String jarg1, int jarg2, java.lang.String jarg3, java.lang.String jarg4, int jarg5, java.lang.String jarg6, java.lang.String jarg7)
public static final long new_AtomPDBResidueInfo__SWIG_8(java.lang.String jarg1, int jarg2, java.lang.String jarg3, java.lang.String jarg4, int jarg5, java.lang.String jarg6)
public static final long new_AtomPDBResidueInfo__SWIG_9(java.lang.String jarg1, int jarg2, java.lang.String jarg3, java.lang.String jarg4, int jarg5)
public static final long new_AtomPDBResidueInfo__SWIG_10(java.lang.String jarg1, int jarg2, java.lang.String jarg3, java.lang.String jarg4)
public static final long new_AtomPDBResidueInfo__SWIG_11(java.lang.String jarg1, int jarg2, java.lang.String jarg3)
public static final long new_AtomPDBResidueInfo__SWIG_12(java.lang.String jarg1, int jarg2)
public static final long new_AtomPDBResidueInfo__SWIG_13(java.lang.String jarg1)
public static final int AtomPDBResidueInfo_getSerialNumber(long jarg1, AtomPDBResidueInfo jarg1_)
public static final void AtomPDBResidueInfo_setSerialNumber(long jarg1, AtomPDBResidueInfo jarg1_, int jarg2)
public static final java.lang.String AtomPDBResidueInfo_getAltLoc(long jarg1, AtomPDBResidueInfo jarg1_)
public static final void AtomPDBResidueInfo_setAltLoc(long jarg1, AtomPDBResidueInfo jarg1_, java.lang.String jarg2)
public static final java.lang.String AtomPDBResidueInfo_getResidueName(long jarg1, AtomPDBResidueInfo jarg1_)
public static final void AtomPDBResidueInfo_setResidueName(long jarg1, AtomPDBResidueInfo jarg1_, java.lang.String jarg2)
public static final int AtomPDBResidueInfo_getResidueNumber(long jarg1, AtomPDBResidueInfo jarg1_)
public static final void AtomPDBResidueInfo_setResidueNumber(long jarg1, AtomPDBResidueInfo jarg1_, int jarg2)
public static final java.lang.String AtomPDBResidueInfo_getChainId(long jarg1, AtomPDBResidueInfo jarg1_)
public static final void AtomPDBResidueInfo_setChainId(long jarg1, AtomPDBResidueInfo jarg1_, java.lang.String jarg2)
public static final java.lang.String AtomPDBResidueInfo_getInsertionCode(long jarg1, AtomPDBResidueInfo jarg1_)
public static final void AtomPDBResidueInfo_setInsertionCode(long jarg1, AtomPDBResidueInfo jarg1_, java.lang.String jarg2)
public static final double AtomPDBResidueInfo_getOccupancy(long jarg1, AtomPDBResidueInfo jarg1_)
public static final void AtomPDBResidueInfo_setOccupancy(long jarg1, AtomPDBResidueInfo jarg1_, double jarg2)
public static final double AtomPDBResidueInfo_getTempFactor(long jarg1, AtomPDBResidueInfo jarg1_)
public static final void AtomPDBResidueInfo_setTempFactor(long jarg1, AtomPDBResidueInfo jarg1_, double jarg2)
public static final boolean AtomPDBResidueInfo_getIsHeteroAtom(long jarg1, AtomPDBResidueInfo jarg1_)
public static final void AtomPDBResidueInfo_setIsHeteroAtom(long jarg1, AtomPDBResidueInfo jarg1_, boolean jarg2)
public static final long AtomPDBResidueInfo_getSecondaryStructure(long jarg1, AtomPDBResidueInfo jarg1_)
public static final void AtomPDBResidueInfo_setSecondaryStructure(long jarg1, AtomPDBResidueInfo jarg1_, long jarg2)
public static final long AtomPDBResidueInfo_getSegmentNumber(long jarg1, AtomPDBResidueInfo jarg1_)
public static final void AtomPDBResidueInfo_setSegmentNumber(long jarg1, AtomPDBResidueInfo jarg1_, long jarg2)
public static final long AtomPDBResidueInfo_copy(long jarg1, AtomPDBResidueInfo jarg1_)
public static final void delete_AtomPDBResidueInfo(long jarg1)
public static final java.lang.String periodicTableAtomData_get()
public static final long isotopesAtomData_get()
public static final double electronMass_get()
public static final long new_atomicData(java.lang.String jarg1)
public static final void delete_atomicData(long jarg1)
public static final int atomicData_AtomicNum(long jarg1, atomicData jarg1_)
public static final int atomicData_DefaultValence(long jarg1, atomicData jarg1_)
public static final int atomicData_NumValence(long jarg1, atomicData jarg1_)
public static final long atomicData_ValenceList(long jarg1, atomicData jarg1_)
public static final double atomicData_Mass(long jarg1, atomicData jarg1_)
public static final java.lang.String atomicData_Symbol(long jarg1, atomicData jarg1_)
public static final double atomicData_Rcov(long jarg1, atomicData jarg1_)
public static final double atomicData_Rb0(long jarg1, atomicData jarg1_)
public static final double atomicData_Rvdw(long jarg1, atomicData jarg1_)
public static final int atomicData_NumOuterShellElec(long jarg1, atomicData jarg1_)
public static final int atomicData_MostCommonIsotope(long jarg1, atomicData jarg1_)
public static final double atomicData_MostCommonIsotopeMass(long jarg1, atomicData jarg1_)
public static final void atomicData_d_isotopeInfoMap_set(long jarg1, atomicData jarg1_, long jarg2)
public static final long atomicData_d_isotopeInfoMap_get(long jarg1, atomicData jarg1_)
public static final long PeriodicTable_getTable()
public static final void delete_PeriodicTable(long jarg1)
public static final double PeriodicTable_getAtomicWeight__SWIG_0(long jarg1, PeriodicTable jarg1_, long jarg2)
public static final double PeriodicTable_getAtomicWeight__SWIG_1(long jarg1, PeriodicTable jarg1_, java.lang.String jarg2)
public static final int PeriodicTable_getAtomicNumber__SWIG_0(long jarg1, PeriodicTable jarg1_, java.lang.String jarg2)
public static final java.lang.String PeriodicTable_getElementSymbol(long jarg1, PeriodicTable jarg1_, long jarg2)
public static final double PeriodicTable_getRvdw__SWIG_0(long jarg1, PeriodicTable jarg1_, long jarg2)
public static final double PeriodicTable_getRvdw__SWIG_1(long jarg1, PeriodicTable jarg1_, java.lang.String jarg2)
public static final double PeriodicTable_getRcovalent__SWIG_0(long jarg1, PeriodicTable jarg1_, long jarg2)
public static final double PeriodicTable_getRcovalent__SWIG_1(long jarg1, PeriodicTable jarg1_, java.lang.String jarg2)
public static final double PeriodicTable_getRb0__SWIG_0(long jarg1, PeriodicTable jarg1_, long jarg2)
public static final double PeriodicTable_getRb0__SWIG_1(long jarg1, PeriodicTable jarg1_, java.lang.String jarg2)
public static final int PeriodicTable_getDefaultValence__SWIG_0(long jarg1, PeriodicTable jarg1_, long jarg2)
public static final int PeriodicTable_getDefaultValence__SWIG_1(long jarg1, PeriodicTable jarg1_, java.lang.String jarg2)
public static final long PeriodicTable_getValenceList__SWIG_0(long jarg1, PeriodicTable jarg1_, long jarg2)
public static final long PeriodicTable_getValenceList__SWIG_1(long jarg1, PeriodicTable jarg1_, java.lang.String jarg2)
public static final int PeriodicTable_getNouterElecs__SWIG_0(long jarg1, PeriodicTable jarg1_, long jarg2)
public static final int PeriodicTable_getNouterElecs__SWIG_1(long jarg1, PeriodicTable jarg1_, java.lang.String jarg2)
public static final int PeriodicTable_getMostCommonIsotope__SWIG_0(long jarg1, PeriodicTable jarg1_, long jarg2)
public static final int PeriodicTable_getMostCommonIsotope__SWIG_1(long jarg1, PeriodicTable jarg1_, java.lang.String jarg2)
public static final double PeriodicTable_getMostCommonIsotopeMass__SWIG_0(long jarg1, PeriodicTable jarg1_, long jarg2)
public static final double PeriodicTable_getMostCommonIsotopeMass__SWIG_1(long jarg1, PeriodicTable jarg1_, java.lang.String jarg2)
public static final double PeriodicTable_getMassForIsotope__SWIG_0(long jarg1, PeriodicTable jarg1_, long jarg2, long jarg3)
public static final double PeriodicTable_getMassForIsotope__SWIG_1(long jarg1, PeriodicTable jarg1_, java.lang.String jarg2, long jarg3)
public static final double PeriodicTable_getAbundanceForIsotope__SWIG_0(long jarg1, PeriodicTable jarg1_, long jarg2, long jarg3)
public static final double PeriodicTable_getAbundanceForIsotope__SWIG_1(long jarg1, PeriodicTable jarg1_, java.lang.String jarg2, long jarg3)
public static final boolean PeriodicTable_moreElectroNegative(long jarg1, PeriodicTable jarg1_, long jarg2, long jarg3)
public static final long new_MolSanitizeException__SWIG_0(java.lang.String jarg1)
public static final long new_MolSanitizeException__SWIG_2(long jarg1, MolSanitizeException jarg1_)
public static final java.lang.String MolSanitizeException_message(long jarg1, MolSanitizeException jarg1_)
public static final void delete_MolSanitizeException(long jarg1)
public static final long MolSanitizeException_copy(long jarg1, MolSanitizeException jarg1_)
public static final java.lang.String MolSanitizeException_getType(long jarg1, MolSanitizeException jarg1_)
public static final long new_AtomSanitizeException__SWIG_0(java.lang.String jarg1, long jarg2)
public static final long new_AtomSanitizeException__SWIG_2(long jarg1, AtomSanitizeException jarg1_)
public static final long AtomSanitizeException_getAtomIdx(long jarg1, AtomSanitizeException jarg1_)
public static final void delete_AtomSanitizeException(long jarg1)
public static final long AtomSanitizeException_copy(long jarg1, AtomSanitizeException jarg1_)
public static final java.lang.String AtomSanitizeException_getType(long jarg1, AtomSanitizeException jarg1_)
public static final long AtomSanitizeException_dynamic_cast(long jarg1, MolSanitizeException jarg1_)
public static final long new_AtomValenceException__SWIG_0(java.lang.String jarg1, long jarg2)
public static final long new_AtomValenceException__SWIG_2(long jarg1, AtomValenceException jarg1_)
public static final void delete_AtomValenceException(long jarg1)
public static final long AtomValenceException_copy(long jarg1, AtomValenceException jarg1_)
public static final java.lang.String AtomValenceException_getType(long jarg1, AtomValenceException jarg1_)
public static final long AtomValenceException_dynamic_cast(long jarg1, MolSanitizeException jarg1_)
public static final long new_AtomKekulizeException__SWIG_0(java.lang.String jarg1, long jarg2)
public static final long new_AtomKekulizeException__SWIG_2(long jarg1, AtomKekulizeException jarg1_)
public static final void delete_AtomKekulizeException(long jarg1)
public static final long AtomKekulizeException_copy(long jarg1, AtomKekulizeException jarg1_)
public static final java.lang.String AtomKekulizeException_getType(long jarg1, AtomKekulizeException jarg1_)
public static final long AtomKekulizeException_dynamic_cast(long jarg1, MolSanitizeException jarg1_)
public static final long new_KekulizeException__SWIG_0(java.lang.String jarg1, long jarg2, UInt_Vect jarg2_)
public static final long new_KekulizeException__SWIG_2(long jarg1, KekulizeException jarg1_)
public static final long KekulizeException_getAtomIndices(long jarg1, KekulizeException jarg1_)
public static final void delete_KekulizeException(long jarg1)
public static final long KekulizeException_copy(long jarg1, KekulizeException jarg1_)
public static final java.lang.String KekulizeException_getType(long jarg1, KekulizeException jarg1_)
public static final long KekulizeException_dynamic_cast(long jarg1, MolSanitizeException jarg1_)
public static final void SmilesParserParams_debugParse_set(long jarg1, SmilesParserParams jarg1_, int jarg2)
public static final int SmilesParserParams_debugParse_get(long jarg1, SmilesParserParams jarg1_)
public static final void SmilesParserParams_sanitize_set(long jarg1, SmilesParserParams jarg1_, boolean jarg2)
public static final boolean SmilesParserParams_sanitize_get(long jarg1, SmilesParserParams jarg1_)
public static final void SmilesParserParams_replacements_set(long jarg1, SmilesParserParams jarg1_, long jarg2, String_String_Map jarg2_)
public static final long SmilesParserParams_replacements_get(long jarg1, SmilesParserParams jarg1_)
public static final void SmilesParserParams_allowCXSMILES_set(long jarg1, SmilesParserParams jarg1_, boolean jarg2)
public static final boolean SmilesParserParams_allowCXSMILES_get(long jarg1, SmilesParserParams jarg1_)
public static final void SmilesParserParams_parseName_set(long jarg1, SmilesParserParams jarg1_, boolean jarg2)
public static final boolean SmilesParserParams_parseName_get(long jarg1, SmilesParserParams jarg1_)
public static final void SmilesParserParams_removeHs_set(long jarg1, SmilesParserParams jarg1_, boolean jarg2)
public static final boolean SmilesParserParams_removeHs_get(long jarg1, SmilesParserParams jarg1_)
public static final long new_SmilesParserParams()
public static final void delete_SmilesParserParams(long jarg1)
public static final long SmilesToAtom(java.lang.String jarg1)
public static final long SmilesToBond(java.lang.String jarg1)
public static final long SmartsToAtom(java.lang.String jarg1)
public static final long SmartsToBond(java.lang.String jarg1)
public static final long new_SmilesParseException__SWIG_0(java.lang.String jarg1)
public static final java.lang.String SmilesParseException_message(long jarg1, SmilesParseException jarg1_)
public static final void delete_SmilesParseException(long jarg1)
public static final java.lang.String getCXExtensions(long jarg1, ROMol jarg1_)
public static final boolean inOrganicSubset(int jarg1)
public static final java.lang.String GetAtomSmiles__SWIG_0(long jarg1, Atom jarg1_, boolean jarg2, long jarg3, Bond jarg3_, boolean jarg4, boolean jarg5)
public static final java.lang.String GetAtomSmiles__SWIG_1(long jarg1, Atom jarg1_, boolean jarg2, long jarg3, Bond jarg3_, boolean jarg4)
public static final java.lang.String GetAtomSmiles__SWIG_2(long jarg1, Atom jarg1_, boolean jarg2, long jarg3, Bond jarg3_)
public static final java.lang.String GetAtomSmiles__SWIG_3(long jarg1, Atom jarg1_, boolean jarg2)
public static final java.lang.String GetAtomSmiles__SWIG_4(long jarg1, Atom jarg1_)
public static final java.lang.String GetBondSmiles__SWIG_0(long jarg1, Bond jarg1_, int jarg2, boolean jarg3, boolean jarg4)
public static final java.lang.String GetBondSmiles__SWIG_1(long jarg1, Bond jarg1_, int jarg2, boolean jarg3)
public static final java.lang.String GetBondSmiles__SWIG_2(long jarg1, Bond jarg1_, int jarg2)
public static final java.lang.String GetBondSmiles__SWIG_3(long jarg1, Bond jarg1_)
public static final java.lang.String MolToSmiles__SWIG_0(long jarg1, ROMol jarg1_, boolean jarg2, boolean jarg3, int jarg4, boolean jarg5, boolean jarg6, boolean jarg7, boolean jarg8)
public static final java.lang.String MolToSmiles__SWIG_1(long jarg1, ROMol jarg1_, boolean jarg2, boolean jarg3, int jarg4, boolean jarg5, boolean jarg6, boolean jarg7)
public static final java.lang.String MolToSmiles__SWIG_2(long jarg1, ROMol jarg1_, boolean jarg2, boolean jarg3, int jarg4, boolean jarg5, boolean jarg6)
public static final java.lang.String MolToSmiles__SWIG_3(long jarg1, ROMol jarg1_, boolean jarg2, boolean jarg3, int jarg4, boolean jarg5)
public static final java.lang.String MolToSmiles__SWIG_4(long jarg1, ROMol jarg1_, boolean jarg2, boolean jarg3, int jarg4)
public static final java.lang.String MolToSmiles__SWIG_5(long jarg1, ROMol jarg1_, boolean jarg2, boolean jarg3)
public static final java.lang.String MolToSmiles__SWIG_6(long jarg1, ROMol jarg1_, boolean jarg2)
public static final java.lang.String MolToSmiles__SWIG_7(long jarg1, ROMol jarg1_)
public static final java.lang.String MolFragmentToSmiles__SWIG_0(long jarg1, ROMol jarg1_, long jarg2, Int_Vect jarg2_, long jarg3, Int_Vect jarg3_, long jarg4, Str_Vect jarg4_, long jarg5, Str_Vect jarg5_, boolean jarg6, boolean jarg7, int jarg8, boolean jarg9, boolean jarg10, boolean jarg11)
public static final java.lang.String MolFragmentToSmiles__SWIG_1(long jarg1, ROMol jarg1_, long jarg2, Int_Vect jarg2_, long jarg3, Int_Vect jarg3_, long jarg4, Str_Vect jarg4_, long jarg5, Str_Vect jarg5_, boolean jarg6, boolean jarg7, int jarg8, boolean jarg9, boolean jarg10)
public static final java.lang.String MolFragmentToSmiles__SWIG_2(long jarg1, ROMol jarg1_, long jarg2, Int_Vect jarg2_, long jarg3, Int_Vect jarg3_, long jarg4, Str_Vect jarg4_, long jarg5, Str_Vect jarg5_, boolean jarg6, boolean jarg7, int jarg8, boolean jarg9)
public static final java.lang.String MolFragmentToSmiles__SWIG_3(long jarg1, ROMol jarg1_, long jarg2, Int_Vect jarg2_, long jarg3, Int_Vect jarg3_, long jarg4, Str_Vect jarg4_, long jarg5, Str_Vect jarg5_, boolean jarg6, boolean jarg7, int jarg8)
public static final java.lang.String MolFragmentToSmiles__SWIG_4(long jarg1, ROMol jarg1_, long jarg2, Int_Vect jarg2_, long jarg3, Int_Vect jarg3_, long jarg4, Str_Vect jarg4_, long jarg5, Str_Vect jarg5_, boolean jarg6, boolean jarg7)
public static final java.lang.String MolFragmentToSmiles__SWIG_5(long jarg1, ROMol jarg1_, long jarg2, Int_Vect jarg2_, long jarg3, Int_Vect jarg3_, long jarg4, Str_Vect jarg4_, long jarg5, Str_Vect jarg5_, boolean jarg6)
public static final java.lang.String MolFragmentToSmiles__SWIG_6(long jarg1, ROMol jarg1_, long jarg2, Int_Vect jarg2_, long jarg3, Int_Vect jarg3_, long jarg4, Str_Vect jarg4_, long jarg5, Str_Vect jarg5_)
public static final java.lang.String MolFragmentToSmiles__SWIG_7(long jarg1, ROMol jarg1_, long jarg2, Int_Vect jarg2_, long jarg3, Int_Vect jarg3_, long jarg4, Str_Vect jarg4_)
public static final java.lang.String MolFragmentToSmiles__SWIG_8(long jarg1, ROMol jarg1_, long jarg2, Int_Vect jarg2_, long jarg3, Int_Vect jarg3_)
public static final java.lang.String MolFragmentToSmiles__SWIG_9(long jarg1, ROMol jarg1_, long jarg2, Int_Vect jarg2_)
public static final java.lang.String MolToCXSmiles__SWIG_0(long jarg1, ROMol jarg1_, boolean jarg2, boolean jarg3, int jarg4, boolean jarg5, boolean jarg6, boolean jarg7, boolean jarg8)
public static final java.lang.String MolToCXSmiles__SWIG_1(long jarg1, ROMol jarg1_, boolean jarg2, boolean jarg3, int jarg4, boolean jarg5, boolean jarg6, boolean jarg7)
public static final java.lang.String MolToCXSmiles__SWIG_2(long jarg1, ROMol jarg1_, boolean jarg2, boolean jarg3, int jarg4, boolean jarg5, boolean jarg6)
public static final java.lang.String MolToCXSmiles__SWIG_3(long jarg1, ROMol jarg1_, boolean jarg2, boolean jarg3, int jarg4, boolean jarg5)
public static final java.lang.String MolToCXSmiles__SWIG_4(long jarg1, ROMol jarg1_, boolean jarg2, boolean jarg3, int jarg4)
public static final java.lang.String MolToCXSmiles__SWIG_5(long jarg1, ROMol jarg1_, boolean jarg2, boolean jarg3)
public static final java.lang.String MolToCXSmiles__SWIG_6(long jarg1, ROMol jarg1_, boolean jarg2)
public static final java.lang.String MolToCXSmiles__SWIG_7(long jarg1, ROMol jarg1_)
public static final java.lang.String MolFragmentToCXSmiles__SWIG_0(long jarg1, ROMol jarg1_, long jarg2, Int_Vect jarg2_, long jarg3, Int_Vect jarg3_, long jarg4, Str_Vect jarg4_, long jarg5, Str_Vect jarg5_, boolean jarg6, boolean jarg7, int jarg8, boolean jarg9, boolean jarg10, boolean jarg11)
public static final java.lang.String MolFragmentToCXSmiles__SWIG_1(long jarg1, ROMol jarg1_, long jarg2, Int_Vect jarg2_, long jarg3, Int_Vect jarg3_, long jarg4, Str_Vect jarg4_, long jarg5, Str_Vect jarg5_, boolean jarg6, boolean jarg7, int jarg8, boolean jarg9, boolean jarg10)
public static final java.lang.String MolFragmentToCXSmiles__SWIG_2(long jarg1, ROMol jarg1_, long jarg2, Int_Vect jarg2_, long jarg3, Int_Vect jarg3_, long jarg4, Str_Vect jarg4_, long jarg5, Str_Vect jarg5_, boolean jarg6, boolean jarg7, int jarg8, boolean jarg9)
public static final java.lang.String MolFragmentToCXSmiles__SWIG_3(long jarg1, ROMol jarg1_, long jarg2, Int_Vect jarg2_, long jarg3, Int_Vect jarg3_, long jarg4, Str_Vect jarg4_, long jarg5, Str_Vect jarg5_, boolean jarg6, boolean jarg7, int jarg8)
public static final java.lang.String MolFragmentToCXSmiles__SWIG_4(long jarg1, ROMol jarg1_, long jarg2, Int_Vect jarg2_, long jarg3, Int_Vect jarg3_, long jarg4, Str_Vect jarg4_, long jarg5, Str_Vect jarg5_, boolean jarg6, boolean jarg7)
public static final java.lang.String MolFragmentToCXSmiles__SWIG_5(long jarg1, ROMol jarg1_, long jarg2, Int_Vect jarg2_, long jarg3, Int_Vect jarg3_, long jarg4, Str_Vect jarg4_, long jarg5, Str_Vect jarg5_, boolean jarg6)
public static final java.lang.String MolFragmentToCXSmiles__SWIG_6(long jarg1, ROMol jarg1_, long jarg2, Int_Vect jarg2_, long jarg3, Int_Vect jarg3_, long jarg4, Str_Vect jarg4_, long jarg5, Str_Vect jarg5_)
public static final java.lang.String MolFragmentToCXSmiles__SWIG_7(long jarg1, ROMol jarg1_, long jarg2, Int_Vect jarg2_, long jarg3, Int_Vect jarg3_, long jarg4, Str_Vect jarg4_)
public static final java.lang.String MolFragmentToCXSmiles__SWIG_8(long jarg1, ROMol jarg1_, long jarg2, Int_Vect jarg2_, long jarg3, Int_Vect jarg3_)
public static final java.lang.String MolFragmentToCXSmiles__SWIG_9(long jarg1, ROMol jarg1_, long jarg2, Int_Vect jarg2_)
public static final java.lang.String GetAtomSmarts(long jarg1, QueryAtom jarg1_)
public static final java.lang.String GetBondSmarts__SWIG_0(long jarg1, QueryBond jarg1_, int jarg2)
public static final java.lang.String GetBondSmarts__SWIG_1(long jarg1, QueryBond jarg1_)
public static final java.lang.String MolToSmarts__SWIG_0(long jarg1, ROMol jarg1_, boolean jarg2)
public static final java.lang.String MolToSmarts__SWIG_1(long jarg1, ROMol jarg1_)
public static final java.lang.String MolFragmentToSmarts__SWIG_0(long jarg1, ROMol jarg1_, long jarg2, Int_Vect jarg2_, long jarg3, Int_Vect jarg3_, boolean jarg4)
public static final java.lang.String MolFragmentToSmarts__SWIG_1(long jarg1, ROMol jarg1_, long jarg2, Int_Vect jarg2_, long jarg3, Int_Vect jarg3_)
public static final java.lang.String MolFragmentToSmarts__SWIG_2(long jarg1, ROMol jarg1_, long jarg2, Int_Vect jarg2_)
public static final long new_MolSanitizeException_Vect__SWIG_0()
public static final long new_MolSanitizeException_Vect__SWIG_1(long jarg1)
public static final long MolSanitizeException_Vect_size(long jarg1, MolSanitizeException_Vect jarg1_)
public static final long MolSanitizeException_Vect_capacity(long jarg1, MolSanitizeException_Vect jarg1_)
public static final void MolSanitizeException_Vect_reserve(long jarg1, MolSanitizeException_Vect jarg1_, long jarg2)
public static final boolean MolSanitizeException_Vect_isEmpty(long jarg1, MolSanitizeException_Vect jarg1_)
public static final void MolSanitizeException_Vect_clear(long jarg1, MolSanitizeException_Vect jarg1_)
public static final void MolSanitizeException_Vect_add(long jarg1, MolSanitizeException_Vect jarg1_, long jarg2, MolSanitizeException jarg2_)
public static final long MolSanitizeException_Vect_get(long jarg1, MolSanitizeException_Vect jarg1_, int jarg2)
public static final void MolSanitizeException_Vect_set(long jarg1, MolSanitizeException_Vect jarg1_, int jarg2, long jarg3, MolSanitizeException jarg3_)
public static final boolean MolSanitizeException_Vect_equals(long jarg1, MolSanitizeException_Vect jarg1_, long jarg2, MolSanitizeException_Vect jarg2_)
public static final void delete_MolSanitizeException_Vect(long jarg1)
public static final int ci_LOCAL_INF_get()
public static final int countAtomElec(long jarg1, Atom jarg1_)
public static final int getFormalCharge(long jarg1, ROMol jarg1_)
public static final boolean atomHasConjugatedBond(long jarg1, Atom jarg1_)
public static final long getMolFrags__SWIG_0(long jarg1, ROMol jarg1_, long jarg2, Int_Vect jarg2_)
public static final long getMolFrags__SWIG_1(long jarg1, ROMol jarg1_, long jarg2, Int_Vect_Vect jarg2_)
public static final long getMolFrags__SWIG_2(long jarg1, ROMol jarg1_, boolean jarg2, long jarg3, Int_Vect jarg3_, long jarg4, Int_Vect_Vect jarg4_, boolean jarg5)
public static final long getMolFrags__SWIG_3(long jarg1, ROMol jarg1_, boolean jarg2, long jarg3, Int_Vect jarg3_, long jarg4, Int_Vect_Vect jarg4_)
public static final long getMolFrags__SWIG_4(long jarg1, ROMol jarg1_, boolean jarg2, long jarg3, Int_Vect jarg3_)
public static final long getMolFrags__SWIG_5(long jarg1, ROMol jarg1_, boolean jarg2)
public static final long getMolFrags__SWIG_6(long jarg1, ROMol jarg1_)
public static final double computeBalabanJ__SWIG_0(long jarg1, ROMol jarg1_, boolean jarg2, boolean jarg3, long jarg4, Int_Vect jarg4_, boolean jarg5)
public static final double computeBalabanJ__SWIG_1(long jarg1, ROMol jarg1_, boolean jarg2, boolean jarg3, long jarg4, Int_Vect jarg4_)
public static final double computeBalabanJ__SWIG_2(long jarg1, ROMol jarg1_, boolean jarg2, boolean jarg3)
public static final double computeBalabanJ__SWIG_3(long jarg1, ROMol jarg1_, boolean jarg2)
public static final double computeBalabanJ__SWIG_4(long jarg1, ROMol jarg1_)
public static final double computeBalabanJ__SWIG_5(long jarg1, int jarg2, int jarg3)
public static final long addHs__SWIG_0(long jarg1, ROMol jarg1_, boolean jarg2, boolean jarg3, long jarg4, UInt_Vect jarg4_, boolean jarg5)
public static final long addHs__SWIG_1(long jarg1, ROMol jarg1_, boolean jarg2, boolean jarg3, long jarg4, UInt_Vect jarg4_)
public static final long addHs__SWIG_2(long jarg1, ROMol jarg1_, boolean jarg2, boolean jarg3)
public static final long addHs__SWIG_3(long jarg1, ROMol jarg1_, boolean jarg2)
public static final long addHs__SWIG_4(long jarg1, ROMol jarg1_)
public static final void addHs__SWIG_5(long jarg1, RWMol jarg1_, boolean jarg2, boolean jarg3, long jarg4, UInt_Vect jarg4_, boolean jarg5)
public static final void addHs__SWIG_6(long jarg1, RWMol jarg1_, boolean jarg2, boolean jarg3, long jarg4, UInt_Vect jarg4_)
public static final void addHs__SWIG_7(long jarg1, RWMol jarg1_, boolean jarg2, boolean jarg3)
public static final void addHs__SWIG_8(long jarg1, RWMol jarg1_, boolean jarg2)
public static final void addHs__SWIG_9(long jarg1, RWMol jarg1_)
public static final long removeHs__SWIG_0(long jarg1, ROMol jarg1_, boolean jarg2, boolean jarg3, boolean jarg4)
public static final long removeHs__SWIG_1(long jarg1, ROMol jarg1_, boolean jarg2, boolean jarg3)
public static final long removeHs__SWIG_2(long jarg1, ROMol jarg1_, boolean jarg2)
public static final long removeHs__SWIG_3(long jarg1, ROMol jarg1_)
public static final void removeHs__SWIG_4(long jarg1, RWMol jarg1_, boolean jarg2, boolean jarg3, boolean jarg4)
public static final void removeHs__SWIG_5(long jarg1, RWMol jarg1_, boolean jarg2, boolean jarg3)
public static final void removeHs__SWIG_6(long jarg1, RWMol jarg1_, boolean jarg2)
public static final void removeHs__SWIG_7(long jarg1, RWMol jarg1_)
public static final long mergeQueryHs__SWIG_0(long jarg1, ROMol jarg1_, boolean jarg2)
public static final long mergeQueryHs__SWIG_1(long jarg1, ROMol jarg1_)
public static final void mergeQueryHs__SWIG_2(long jarg1, RWMol jarg1_, boolean jarg2)
public static final void mergeQueryHs__SWIG_3(long jarg1, RWMol jarg1_)
public static final int ADJUST_IGNORENONE_get()
public static final int ADJUST_IGNORECHAINS_get()
public static final int ADJUST_IGNORERINGS_get()
public static final int ADJUST_IGNOREDUMMIES_get()
public static final int ADJUST_IGNORENONDUMMIES_get()
public static final int ADJUST_IGNOREMAPPED_get()
public static final int ADJUST_IGNOREALL_get()
public static final void AdjustQueryParameters_adjustDegree_set(long jarg1, AdjustQueryParameters jarg1_, boolean jarg2)
public static final boolean AdjustQueryParameters_adjustDegree_get(long jarg1, AdjustQueryParameters jarg1_)
public static final void AdjustQueryParameters_adjustDegreeFlags_set(long jarg1, AdjustQueryParameters jarg1_, long jarg2)
public static final long AdjustQueryParameters_adjustDegreeFlags_get(long jarg1, AdjustQueryParameters jarg1_)
public static final void AdjustQueryParameters_adjustRingCount_set(long jarg1, AdjustQueryParameters jarg1_, boolean jarg2)
public static final boolean AdjustQueryParameters_adjustRingCount_get(long jarg1, AdjustQueryParameters jarg1_)
public static final void AdjustQueryParameters_adjustRingCountFlags_set(long jarg1, AdjustQueryParameters jarg1_, long jarg2)
public static final long AdjustQueryParameters_adjustRingCountFlags_get(long jarg1, AdjustQueryParameters jarg1_)
public static final void AdjustQueryParameters_makeDummiesQueries_set(long jarg1, AdjustQueryParameters jarg1_, boolean jarg2)
public static final boolean AdjustQueryParameters_makeDummiesQueries_get(long jarg1, AdjustQueryParameters jarg1_)
public static final void AdjustQueryParameters_aromatizeIfPossible_set(long jarg1, AdjustQueryParameters jarg1_, boolean jarg2)
public static final boolean AdjustQueryParameters_aromatizeIfPossible_get(long jarg1, AdjustQueryParameters jarg1_)
public static final void AdjustQueryParameters_makeBondsGeneric_set(long jarg1, AdjustQueryParameters jarg1_, boolean jarg2)
public static final boolean AdjustQueryParameters_makeBondsGeneric_get(long jarg1, AdjustQueryParameters jarg1_)
public static final void AdjustQueryParameters_makeBondsGenericFlags_set(long jarg1, AdjustQueryParameters jarg1_, long jarg2)
public static final long AdjustQueryParameters_makeBondsGenericFlags_get(long jarg1, AdjustQueryParameters jarg1_)
public static final void AdjustQueryParameters_makeAtomsGeneric_set(long jarg1, AdjustQueryParameters jarg1_, boolean jarg2)
public static final boolean AdjustQueryParameters_makeAtomsGeneric_get(long jarg1, AdjustQueryParameters jarg1_)
public static final void AdjustQueryParameters_makeAtomsGenericFlags_set(long jarg1, AdjustQueryParameters jarg1_, long jarg2)
public static final long AdjustQueryParameters_makeAtomsGenericFlags_get(long jarg1, AdjustQueryParameters jarg1_)
public static final void AdjustQueryParameters_adjustHeavyDegree_set(long jarg1, AdjustQueryParameters jarg1_, boolean jarg2)
public static final boolean AdjustQueryParameters_adjustHeavyDegree_get(long jarg1, AdjustQueryParameters jarg1_)
public static final void AdjustQueryParameters_adjustHeavyDegreeFlags_set(long jarg1, AdjustQueryParameters jarg1_, long jarg2)
public static final long AdjustQueryParameters_adjustHeavyDegreeFlags_get(long jarg1, AdjustQueryParameters jarg1_)
public static final void AdjustQueryParameters_adjustRingChain_set(long jarg1, AdjustQueryParameters jarg1_, boolean jarg2)
public static final boolean AdjustQueryParameters_adjustRingChain_get(long jarg1, AdjustQueryParameters jarg1_)
public static final void AdjustQueryParameters_adjustRingChainFlags_set(long jarg1, AdjustQueryParameters jarg1_, long jarg2)
public static final long AdjustQueryParameters_adjustRingChainFlags_get(long jarg1, AdjustQueryParameters jarg1_)
public static final long new_AdjustQueryParameters()
public static final void delete_AdjustQueryParameters(long jarg1)
public static final long adjustQueryProperties__SWIG_0(long jarg1, ROMol jarg1_, long jarg2, AdjustQueryParameters jarg2_)
public static final long adjustQueryProperties__SWIG_1(long jarg1, ROMol jarg1_)
public static final void adjustQueryProperties__SWIG_2(long jarg1, RWMol jarg1_, long jarg2, AdjustQueryParameters jarg2_)
public static final void adjustQueryProperties__SWIG_3(long jarg1, RWMol jarg1_)
public static final long renumberAtoms(long jarg1, ROMol jarg1_, long jarg2, UInt_Vect jarg2_)
public static final int SANITIZE_NONE_get()
public static final int SANITIZE_CLEANUP_get()
public static final int SANITIZE_PROPERTIES_get()
public static final int SANITIZE_SYMMRINGS_get()
public static final int SANITIZE_KEKULIZE_get()
public static final int SANITIZE_FINDRADICALS_get()
public static final int SANITIZE_SETAROMATICITY_get()
public static final int SANITIZE_SETCONJUGATION_get()
public static final int SANITIZE_SETHYBRIDIZATION_get()
public static final int SANITIZE_CLEANUPCHIRALITY_get()
public static final int SANITIZE_ADJUSTHS_get()
public static final int SANITIZE_ALL_get()
public static final void sanitizeMol__SWIG_0(long jarg1, RWMol jarg1_, long jarg2, long jarg3)
public static final void sanitizeMol__SWIG_1(long jarg1, RWMol jarg1_, long jarg2)
public static final void sanitizeMol__SWIG_2(long jarg1, RWMol jarg1_)
public static final int AROMATICITY_DEFAULT_get()
public static final int AROMATICITY_RDKIT_get()
public static final int AROMATICITY_SIMPLE_get()
public static final int AROMATICITY_MDL_get()
public static final int AROMATICITY_CUSTOM_get()
public static final int setAromaticity__SWIG_0(long jarg1, RWMol jarg1_, int jarg2, long jarg3)
public static final int setAromaticity__SWIG_1(long jarg1, RWMol jarg1_, int jarg2)
public static final int setAromaticity__SWIG_2(long jarg1, RWMol jarg1_)
public static final void cleanUp(long jarg1, RWMol jarg1_)
public static final void assignRadicals(long jarg1, RWMol jarg1_)
public static final void adjustHs(long jarg1, RWMol jarg1_)
public static final void Kekulize__SWIG_0(long jarg1, RWMol jarg1_, boolean jarg2, long jarg3)
public static final void Kekulize__SWIG_1(long jarg1, RWMol jarg1_, boolean jarg2)
public static final void Kekulize__SWIG_2(long jarg1, RWMol jarg1_)
public static final void setConjugation(long jarg1, ROMol jarg1_)
public static final void setHybridization(long jarg1, ROMol jarg1_)
public static final int findSSSR__SWIG_0(long jarg1, ROMol jarg1_, long jarg2, Int_Vect_Vect jarg2_)
public static final int findSSSR__SWIG_2(long jarg1, ROMol jarg1_)
public static final void fastFindRings(long jarg1, ROMol jarg1_)
public static final int symmetrizeSSSR__SWIG_0(long jarg1, ROMol jarg1_, long jarg2, Int_Vect_Vect jarg2_)
public static final int symmetrizeSSSR__SWIG_1(long jarg1, ROMol jarg1_)
public static final long getAdjacencyMatrix__SWIG_0(long jarg1, ROMol jarg1_, boolean jarg2, int jarg3, boolean jarg4, java.lang.String jarg5, long jarg6)
public static final long getAdjacencyMatrix__SWIG_1(long jarg1, ROMol jarg1_, boolean jarg2, int jarg3, boolean jarg4, java.lang.String jarg5)
public static final long getAdjacencyMatrix__SWIG_2(long jarg1, ROMol jarg1_, boolean jarg2, int jarg3, boolean jarg4)
public static final long getAdjacencyMatrix__SWIG_3(long jarg1, ROMol jarg1_, boolean jarg2, int jarg3)
public static final long getAdjacencyMatrix__SWIG_4(long jarg1, ROMol jarg1_, boolean jarg2)
public static final long getAdjacencyMatrix__SWIG_5(long jarg1, ROMol jarg1_)
public static final long getDistanceMat__SWIG_0(long jarg1, ROMol jarg1_, boolean jarg2, boolean jarg3, boolean jarg4, java.lang.String jarg5)
public static final long getDistanceMat__SWIG_1(long jarg1, ROMol jarg1_, boolean jarg2, boolean jarg3, boolean jarg4)
public static final long getDistanceMat__SWIG_2(long jarg1, ROMol jarg1_, boolean jarg2, boolean jarg3)
public static final long getDistanceMat__SWIG_3(long jarg1, ROMol jarg1_, boolean jarg2)
public static final long getDistanceMat__SWIG_4(long jarg1, ROMol jarg1_)
public static final long getDistanceMat__SWIG_5(long jarg1, ROMol jarg1_, long jarg2, Int_Vect jarg2_, long jarg3, boolean jarg4, boolean jarg5)
public static final long getDistanceMat__SWIG_6(long jarg1, ROMol jarg1_, long jarg2, Int_Vect jarg2_, long jarg3, boolean jarg4)
public static final long getDistanceMat__SWIG_7(long jarg1, ROMol jarg1_, long jarg2, Int_Vect jarg2_, long jarg3)
public static final long get3DDistanceMat__SWIG_0(long jarg1, ROMol jarg1_, int jarg2, boolean jarg3, boolean jarg4, java.lang.String jarg5)
public static final long get3DDistanceMat__SWIG_1(long jarg1, ROMol jarg1_, int jarg2, boolean jarg3, boolean jarg4)
public static final long get3DDistanceMat__SWIG_2(long jarg1, ROMol jarg1_, int jarg2, boolean jarg3)
public static final long get3DDistanceMat__SWIG_3(long jarg1, ROMol jarg1_, int jarg2)
public static final long get3DDistanceMat__SWIG_4(long jarg1, ROMol jarg1_)
public static final long getShortestPath(long jarg1, ROMol jarg1_, int jarg2, int jarg3)
public static final void cleanupChirality(long jarg1, RWMol jarg1_)
public static final void assignChiralTypesFrom3D__SWIG_0(long jarg1, ROMol jarg1_, int jarg2, boolean jarg3)
public static final void assignChiralTypesFrom3D__SWIG_1(long jarg1, ROMol jarg1_, int jarg2)
public static final void assignChiralTypesFrom3D__SWIG_2(long jarg1, ROMol jarg1_)
public static final void assignStereochemistryFrom3D__SWIG_0(long jarg1, ROMol jarg1_, int jarg2, boolean jarg3)
public static final void assignStereochemistryFrom3D__SWIG_1(long jarg1, ROMol jarg1_, int jarg2)
public static final void assignStereochemistryFrom3D__SWIG_2(long jarg1, ROMol jarg1_)
public static final void assignChiralTypesFromBondDirs__SWIG_0(long jarg1, ROMol jarg1_, int jarg2, boolean jarg3)
public static final void assignChiralTypesFromBondDirs__SWIG_1(long jarg1, ROMol jarg1_, int jarg2)
public static final void assignChiralTypesFromBondDirs__SWIG_2(long jarg1, ROMol jarg1_)
public static final void detectBondStereochemistry__SWIG_0(long jarg1, ROMol jarg1_, int jarg2)
public static final void detectBondStereochemistry__SWIG_1(long jarg1, ROMol jarg1_)
public static final void setDoubleBondNeighborDirections__SWIG_0(long jarg1, ROMol jarg1_, long jarg2, Conformer jarg2_)
public static final void setDoubleBondNeighborDirections__SWIG_1(long jarg1, ROMol jarg1_)
public static final void setBondStereoFromDirections(long jarg1, ROMol jarg1_)
public static final void assignStereochemistry__SWIG_0(long jarg1, ROMol jarg1_, boolean jarg2, boolean jarg3, boolean jarg4)
public static final void assignStereochemistry__SWIG_1(long jarg1, ROMol jarg1_, boolean jarg2, boolean jarg3)
public static final void assignStereochemistry__SWIG_2(long jarg1, ROMol jarg1_, boolean jarg2)
public static final void assignStereochemistry__SWIG_3(long jarg1, ROMol jarg1_)
public static final void removeStereochemistry(long jarg1, ROMol jarg1_)
public static final void findPotentialStereoBonds__SWIG_0(long jarg1, ROMol jarg1_, boolean jarg2)
public static final void findPotentialStereoBonds__SWIG_1(long jarg1, ROMol jarg1_)
public static final long getNumAtomsWithDistinctProperty(long jarg1, ROMol jarg1_, java.lang.String jarg2)
public static final int sanitizeMol(long jarg1, RWMol jarg1_, int jarg2)
public static final long detectChemistryProblems__SWIG_0(long jarg1, ROMol jarg1_, int jarg2)
public static final long detectChemistryProblems__SWIG_1(long jarg1, ROMol jarg1_)
public static final long new_gzstream(java.lang.String jarg1)
public static final long gzstream__GetStream(long jarg1, gzstream jarg1_)
public static final java.lang.String gzstream_Dump(long jarg1, gzstream jarg1_)
public static final void delete_gzstream(long jarg1)
public static final void delete_MolSupplier(long jarg1)
public static final void MolSupplier_init(long jarg1, MolSupplier jarg1_)
public static final void MolSupplier_reset(long jarg1, MolSupplier jarg1_)
public static final boolean MolSupplier_atEnd(long jarg1, MolSupplier jarg1_)
public static final long MolSupplier_next(long jarg1, MolSupplier jarg1_)
public static final long new_ForwardSDMolSupplier__SWIG_0()
public static final long new_ForwardSDMolSupplier__SWIG_1(long jarg1, boolean jarg2, boolean jarg3, boolean jarg4, boolean jarg5)
public static final long new_ForwardSDMolSupplier__SWIG_2(long jarg1, boolean jarg2, boolean jarg3, boolean jarg4)
public static final long new_ForwardSDMolSupplier__SWIG_3(long jarg1, boolean jarg2, boolean jarg3)
public static final long new_ForwardSDMolSupplier__SWIG_4(long jarg1, boolean jarg2)
public static final long new_ForwardSDMolSupplier__SWIG_5(long jarg1)
public static final void delete_ForwardSDMolSupplier(long jarg1)
public static final void ForwardSDMolSupplier_init(long jarg1, ForwardSDMolSupplier jarg1_)
public static final void ForwardSDMolSupplier_reset(long jarg1, ForwardSDMolSupplier jarg1_)
public static final long ForwardSDMolSupplier_next(long jarg1, ForwardSDMolSupplier jarg1_)
public static final boolean ForwardSDMolSupplier_atEnd(long jarg1, ForwardSDMolSupplier jarg1_)
public static final void ForwardSDMolSupplier_setProcessPropertyLists(long jarg1, ForwardSDMolSupplier jarg1_, boolean jarg2)
public static final boolean ForwardSDMolSupplier_getProcessPropertyLists(long jarg1, ForwardSDMolSupplier jarg1_)
public static final boolean ForwardSDMolSupplier_getEOFHitOnRead(long jarg1, ForwardSDMolSupplier jarg1_)
public static final long new_ForwardSDMolSupplier__SWIG_6(long jarg1, gzstream jarg1_, boolean jarg2, boolean jarg3, boolean jarg4)
public static final long new_ForwardSDMolSupplier__SWIG_7(long jarg1, gzstream jarg1_, boolean jarg2, boolean jarg3)
public static final long new_ForwardSDMolSupplier__SWIG_8(long jarg1, gzstream jarg1_, boolean jarg2)
public static final long new_ForwardSDMolSupplier__SWIG_9(long jarg1, gzstream jarg1_)
public static final long new_SDMolSupplier__SWIG_0()
public static final long new_SDMolSupplier__SWIG_1(java.lang.String jarg1, boolean jarg2, boolean jarg3, boolean jarg4)
public static final long new_SDMolSupplier__SWIG_2(java.lang.String jarg1, boolean jarg2, boolean jarg3)
public static final long new_SDMolSupplier__SWIG_3(java.lang.String jarg1, boolean jarg2)
public static final long new_SDMolSupplier__SWIG_4(java.lang.String jarg1)
public static final long new_SDMolSupplier__SWIG_5(long jarg1, boolean jarg2, boolean jarg3, boolean jarg4, boolean jarg5)
public static final long new_SDMolSupplier__SWIG_6(long jarg1, boolean jarg2, boolean jarg3, boolean jarg4)
public static final long new_SDMolSupplier__SWIG_7(long jarg1, boolean jarg2, boolean jarg3)
public static final long new_SDMolSupplier__SWIG_8(long jarg1, boolean jarg2)
public static final long new_SDMolSupplier__SWIG_9(long jarg1)
public static final void delete_SDMolSupplier(long jarg1)
public static final void SDMolSupplier_init(long jarg1, SDMolSupplier jarg1_)
public static final void SDMolSupplier_reset(long jarg1, SDMolSupplier jarg1_)
public static final long SDMolSupplier_next(long jarg1, SDMolSupplier jarg1_)
public static final boolean SDMolSupplier_atEnd(long jarg1, SDMolSupplier jarg1_)
public static final void SDMolSupplier_moveTo(long jarg1, SDMolSupplier jarg1_, long jarg2)
public static final java.lang.String SDMolSupplier_getItemText(long jarg1, SDMolSupplier jarg1_, long jarg2)
public static final long SDMolSupplier_length(long jarg1, SDMolSupplier jarg1_)
public static final void SDMolSupplier_setData__SWIG_0(long jarg1, SDMolSupplier jarg1_, java.lang.String jarg2, boolean jarg3, boolean jarg4)
public static final void SDMolSupplier_setData__SWIG_1(long jarg1, SDMolSupplier jarg1_, java.lang.String jarg2, boolean jarg3)
public static final void SDMolSupplier_setData__SWIG_2(long jarg1, SDMolSupplier jarg1_, java.lang.String jarg2)
public static final void SDMolSupplier_setData__SWIG_3(long jarg1, SDMolSupplier jarg1_, java.lang.String jarg2, boolean jarg3, boolean jarg4, boolean jarg5)
public static final void SDMolSupplier_setStreamIndices(long jarg1, SDMolSupplier jarg1_, long jarg2)
public static final long new_SmilesMolSupplier__SWIG_0(java.lang.String jarg1, java.lang.String jarg2, int jarg3, int jarg4, boolean jarg5, boolean jarg6)
public static final long new_SmilesMolSupplier__SWIG_1(java.lang.String jarg1, java.lang.String jarg2, int jarg3, int jarg4, boolean jarg5)
public static final long new_SmilesMolSupplier__SWIG_2(java.lang.String jarg1, java.lang.String jarg2, int jarg3, int jarg4)
public static final long new_SmilesMolSupplier__SWIG_3(java.lang.String jarg1, java.lang.String jarg2, int jarg3)
public static final long new_SmilesMolSupplier__SWIG_4(java.lang.String jarg1, java.lang.String jarg2)
public static final long new_SmilesMolSupplier__SWIG_5(java.lang.String jarg1)
public static final long new_SmilesMolSupplier__SWIG_6()
public static final long new_SmilesMolSupplier__SWIG_7(long jarg1, boolean jarg2, java.lang.String jarg3, int jarg4, int jarg5, boolean jarg6, boolean jarg7)
public static final long new_SmilesMolSupplier__SWIG_8(long jarg1, boolean jarg2, java.lang.String jarg3, int jarg4, int jarg5, boolean jarg6)
public static final long new_SmilesMolSupplier__SWIG_9(long jarg1, boolean jarg2, java.lang.String jarg3, int jarg4, int jarg5)
public static final long new_SmilesMolSupplier__SWIG_10(long jarg1, boolean jarg2, java.lang.String jarg3, int jarg4)
public static final long new_SmilesMolSupplier__SWIG_11(long jarg1, boolean jarg2, java.lang.String jarg3)
public static final long new_SmilesMolSupplier__SWIG_12(long jarg1, boolean jarg2)
public static final long new_SmilesMolSupplier__SWIG_13(long jarg1)
public static final void delete_SmilesMolSupplier(long jarg1)
public static final void SmilesMolSupplier_setData__SWIG_0(long jarg1, SmilesMolSupplier jarg1_, java.lang.String jarg2, java.lang.String jarg3, int jarg4, int jarg5, boolean jarg6, boolean jarg7)
public static final void SmilesMolSupplier_setData__SWIG_1(long jarg1, SmilesMolSupplier jarg1_, java.lang.String jarg2, java.lang.String jarg3, int jarg4, int jarg5, boolean jarg6)
public static final void SmilesMolSupplier_setData__SWIG_2(long jarg1, SmilesMolSupplier jarg1_, java.lang.String jarg2, java.lang.String jarg3, int jarg4, int jarg5)
public static final void SmilesMolSupplier_setData__SWIG_3(long jarg1, SmilesMolSupplier jarg1_, java.lang.String jarg2, java.lang.String jarg3, int jarg4)
public static final void SmilesMolSupplier_setData__SWIG_4(long jarg1, SmilesMolSupplier jarg1_, java.lang.String jarg2, java.lang.String jarg3)
public static final void SmilesMolSupplier_setData__SWIG_5(long jarg1, SmilesMolSupplier jarg1_, java.lang.String jarg2)
public static final void SmilesMolSupplier_init(long jarg1, SmilesMolSupplier jarg1_)
public static final void SmilesMolSupplier_reset(long jarg1, SmilesMolSupplier jarg1_)
public static final long SmilesMolSupplier_next(long jarg1, SmilesMolSupplier jarg1_)
public static final boolean SmilesMolSupplier_atEnd(long jarg1, SmilesMolSupplier jarg1_)
public static final void SmilesMolSupplier_moveTo(long jarg1, SmilesMolSupplier jarg1_, long jarg2)
public static final java.lang.String SmilesMolSupplier_getItemText(long jarg1, SmilesMolSupplier jarg1_, long jarg2)
public static final long SmilesMolSupplier_length(long jarg1, SmilesMolSupplier jarg1_)
public static final long new_TDTMolSupplier__SWIG_0(java.lang.String jarg1, java.lang.String jarg2, int jarg3, int jarg4, boolean jarg5)
public static final long new_TDTMolSupplier__SWIG_1(java.lang.String jarg1, java.lang.String jarg2, int jarg3, int jarg4)
public static final long new_TDTMolSupplier__SWIG_2(java.lang.String jarg1, java.lang.String jarg2, int jarg3)
public static final long new_TDTMolSupplier__SWIG_3(java.lang.String jarg1, java.lang.String jarg2)
public static final long new_TDTMolSupplier__SWIG_4(java.lang.String jarg1)
public static final long new_TDTMolSupplier__SWIG_5(long jarg1, boolean jarg2, java.lang.String jarg3, int jarg4, int jarg5, boolean jarg6)
public static final long new_TDTMolSupplier__SWIG_6(long jarg1, boolean jarg2, java.lang.String jarg3, int jarg4, int jarg5)
public static final long new_TDTMolSupplier__SWIG_7(long jarg1, boolean jarg2, java.lang.String jarg3, int jarg4)
public static final long new_TDTMolSupplier__SWIG_8(long jarg1, boolean jarg2, java.lang.String jarg3)
public static final long new_TDTMolSupplier__SWIG_9(long jarg1, boolean jarg2)
public static final long new_TDTMolSupplier__SWIG_10(long jarg1)
public static final long new_TDTMolSupplier__SWIG_11()
public static final void delete_TDTMolSupplier(long jarg1)
public static final void TDTMolSupplier_setData__SWIG_0(long jarg1, TDTMolSupplier jarg1_, java.lang.String jarg2, java.lang.String jarg3, int jarg4, int jarg5, boolean jarg6)
public static final void TDTMolSupplier_setData__SWIG_1(long jarg1, TDTMolSupplier jarg1_, java.lang.String jarg2, java.lang.String jarg3, int jarg4, int jarg5)
public static final void TDTMolSupplier_setData__SWIG_2(long jarg1, TDTMolSupplier jarg1_, java.lang.String jarg2, java.lang.String jarg3, int jarg4)
public static final void TDTMolSupplier_setData__SWIG_3(long jarg1, TDTMolSupplier jarg1_, java.lang.String jarg2, java.lang.String jarg3)
public static final void TDTMolSupplier_setData__SWIG_4(long jarg1, TDTMolSupplier jarg1_, java.lang.String jarg2)
public static final void TDTMolSupplier_init(long jarg1, TDTMolSupplier jarg1_)
public static final void TDTMolSupplier_reset(long jarg1, TDTMolSupplier jarg1_)
public static final long TDTMolSupplier_next(long jarg1, TDTMolSupplier jarg1_)
public static final boolean TDTMolSupplier_atEnd(long jarg1, TDTMolSupplier jarg1_)
public static final void TDTMolSupplier_moveTo(long jarg1, TDTMolSupplier jarg1_, long jarg2)
public static final java.lang.String TDTMolSupplier_getItemText(long jarg1, TDTMolSupplier jarg1_, long jarg2)
public static final long TDTMolSupplier_length(long jarg1, TDTMolSupplier jarg1_)
public static final long new_PDBMolSupplier__SWIG_0(long jarg1, boolean jarg2, boolean jarg3, boolean jarg4, long jarg5, boolean jarg6)
public static final long new_PDBMolSupplier__SWIG_1(long jarg1, boolean jarg2, boolean jarg3, boolean jarg4, long jarg5)
public static final long new_PDBMolSupplier__SWIG_2(long jarg1, boolean jarg2, boolean jarg3, boolean jarg4)
public static final long new_PDBMolSupplier__SWIG_3(long jarg1, boolean jarg2, boolean jarg3)
public static final long new_PDBMolSupplier__SWIG_4(long jarg1, boolean jarg2)
public static final long new_PDBMolSupplier__SWIG_5(long jarg1)
public static final long new_PDBMolSupplier__SWIG_6(java.lang.String jarg1, boolean jarg2, boolean jarg3, long jarg4, boolean jarg5)
public static final long new_PDBMolSupplier__SWIG_7(java.lang.String jarg1, boolean jarg2, boolean jarg3, long jarg4)
public static final long new_PDBMolSupplier__SWIG_8(java.lang.String jarg1, boolean jarg2, boolean jarg3)
public static final long new_PDBMolSupplier__SWIG_9(java.lang.String jarg1, boolean jarg2)
public static final long new_PDBMolSupplier__SWIG_10(java.lang.String jarg1)
public static final void delete_PDBMolSupplier(long jarg1)
public static final void PDBMolSupplier_init(long jarg1, PDBMolSupplier jarg1_)
public static final void PDBMolSupplier_reset(long jarg1, PDBMolSupplier jarg1_)
public static final long PDBMolSupplier_next(long jarg1, PDBMolSupplier jarg1_)
public static final boolean PDBMolSupplier_atEnd(long jarg1, PDBMolSupplier jarg1_)
public static final int ResonanceMolSupplier_ALLOW_INCOMPLETE_OCTETS_get()
public static final int ResonanceMolSupplier_ALLOW_CHARGE_SEPARATION_get()
public static final int ResonanceMolSupplier_KEKULE_ALL_get()
public static final int ResonanceMolSupplier_UNCONSTRAINED_CATIONS_get()
public static final int ResonanceMolSupplier_UNCONSTRAINED_ANIONS_get()
public static final long new_ResonanceMolSupplier__SWIG_0(long jarg1, ROMol jarg1_, long jarg2, long jarg3)
public static final long new_ResonanceMolSupplier__SWIG_1(long jarg1, ROMol jarg1_, long jarg2)
public static final long new_ResonanceMolSupplier__SWIG_2(long jarg1, ROMol jarg1_)
public static final void delete_ResonanceMolSupplier(long jarg1)
public static final long ResonanceMolSupplier_mol(long jarg1, ResonanceMolSupplier jarg1_)
public static final long ResonanceMolSupplier_flags(long jarg1, ResonanceMolSupplier jarg1_)
public static final long ResonanceMolSupplier_getNumConjGrps(long jarg1, ResonanceMolSupplier jarg1_)
public static final int ResonanceMolSupplier_getBondConjGrpIdx(long jarg1, ResonanceMolSupplier jarg1_, long jarg2)
public static final int ResonanceMolSupplier_getAtomConjGrpIdx(long jarg1, ResonanceMolSupplier jarg1_, long jarg2)
public static final void ResonanceMolSupplier_setNumThreads__SWIG_0(long jarg1, ResonanceMolSupplier jarg1_, int jarg2)
public static final void ResonanceMolSupplier_setNumThreads__SWIG_1(long jarg1, ResonanceMolSupplier jarg1_)
public static final void ResonanceMolSupplier_enumerate(long jarg1, ResonanceMolSupplier jarg1_)
public static final boolean ResonanceMolSupplier_getIsEnumerated(long jarg1, ResonanceMolSupplier jarg1_)
public static final long ResonanceMolSupplier_length(long jarg1, ResonanceMolSupplier jarg1_)
public static final void ResonanceMolSupplier_reset(long jarg1, ResonanceMolSupplier jarg1_)
public static final boolean ResonanceMolSupplier_atEnd(long jarg1, ResonanceMolSupplier jarg1_)
public static final long ResonanceMolSupplier_next(long jarg1, ResonanceMolSupplier jarg1_)
public static final void ResonanceMolSupplier_moveTo(long jarg1, ResonanceMolSupplier jarg1_, long jarg2)
public static final long ResonanceMolSupplier_getSubstructMatches__SWIG_0(long jarg1, ResonanceMolSupplier jarg1_, long jarg2, ROMol jarg2_, boolean jarg3, boolean jarg4, int jarg5)
public static final long ResonanceMolSupplier_getSubstructMatches__SWIG_1(long jarg1, ResonanceMolSupplier jarg1_, long jarg2, ROMol jarg2_, boolean jarg3, boolean jarg4)
public static final long ResonanceMolSupplier_getSubstructMatches__SWIG_2(long jarg1, ResonanceMolSupplier jarg1_, long jarg2, ROMol jarg2_, boolean jarg3)
public static final long ResonanceMolSupplier_getSubstructMatches__SWIG_3(long jarg1, ResonanceMolSupplier jarg1_, long jarg2, ROMol jarg2_)
public static final void defaultConfId_set(int jarg1)
public static final int defaultConfId_get()
public static final void delete_MolWriter(long jarg1)
public static final void MolWriter_write__SWIG_0(long jarg1, MolWriter jarg1_, long jarg2, ROMol jarg2_, int jarg3)
public static final void MolWriter_write__SWIG_1(long jarg1, MolWriter jarg1_, long jarg2, ROMol jarg2_)
public static final void MolWriter_flush(long jarg1, MolWriter jarg1_)
public static final void MolWriter_close(long jarg1, MolWriter jarg1_)
public static final void MolWriter_setProps(long jarg1, MolWriter jarg1_, long jarg2, Str_Vect jarg2_)
public static final long MolWriter_numMols(long jarg1, MolWriter jarg1_)
public static final long new_SmilesWriter__SWIG_0(java.lang.String jarg1, java.lang.String jarg2, java.lang.String jarg3, boolean jarg4, boolean jarg5, boolean jarg6)
public static final long new_SmilesWriter__SWIG_1(java.lang.String jarg1, java.lang.String jarg2, java.lang.String jarg3, boolean jarg4, boolean jarg5)
public static final long new_SmilesWriter__SWIG_2(java.lang.String jarg1, java.lang.String jarg2, java.lang.String jarg3, boolean jarg4)
public static final long new_SmilesWriter__SWIG_3(java.lang.String jarg1, java.lang.String jarg2, java.lang.String jarg3)
public static final long new_SmilesWriter__SWIG_4(java.lang.String jarg1, java.lang.String jarg2)
public static final long new_SmilesWriter__SWIG_5(java.lang.String jarg1)
public static final long new_SmilesWriter__SWIG_6(long jarg1, java.lang.String jarg2, java.lang.String jarg3, boolean jarg4, boolean jarg5, boolean jarg6, boolean jarg7)
public static final long new_SmilesWriter__SWIG_7(long jarg1, java.lang.String jarg2, java.lang.String jarg3, boolean jarg4, boolean jarg5, boolean jarg6)
public static final long new_SmilesWriter__SWIG_8(long jarg1, java.lang.String jarg2, java.lang.String jarg3, boolean jarg4, boolean jarg5)
public static final long new_SmilesWriter__SWIG_9(long jarg1, java.lang.String jarg2, java.lang.String jarg3, boolean jarg4)
public static final long new_SmilesWriter__SWIG_10(long jarg1, java.lang.String jarg2, java.lang.String jarg3)
public static final long new_SmilesWriter__SWIG_11(long jarg1, java.lang.String jarg2)
public static final long new_SmilesWriter__SWIG_12(long jarg1)
public static final void delete_SmilesWriter(long jarg1)
public static final void SmilesWriter_setProps(long jarg1, SmilesWriter jarg1_, long jarg2, Str_Vect jarg2_)
public static final void SmilesWriter_write__SWIG_0(long jarg1, SmilesWriter jarg1_, long jarg2, ROMol jarg2_, int jarg3)
public static final void SmilesWriter_write__SWIG_1(long jarg1, SmilesWriter jarg1_, long jarg2, ROMol jarg2_)
public static final void SmilesWriter_flush(long jarg1, SmilesWriter jarg1_)
public static final void SmilesWriter_close(long jarg1, SmilesWriter jarg1_)
public static final long SmilesWriter_numMols(long jarg1, SmilesWriter jarg1_)
public static final long new_SDWriter__SWIG_0(java.lang.String jarg1)
public static final long new_SDWriter__SWIG_1(long jarg1, boolean jarg2)
public static final long new_SDWriter__SWIG_2(long jarg1)
public static final void delete_SDWriter(long jarg1)
public static final void SDWriter_setProps(long jarg1, SDWriter jarg1_, long jarg2, Str_Vect jarg2_)
public static final java.lang.String SDWriter_getText__SWIG_0(long jarg1, ROMol jarg1_, int jarg2, boolean jarg3, boolean jarg4, int jarg5, long jarg6, Str_Vect jarg6_)
public static final java.lang.String SDWriter_getText__SWIG_1(long jarg1, ROMol jarg1_, int jarg2, boolean jarg3, boolean jarg4, int jarg5)
public static final java.lang.String SDWriter_getText__SWIG_2(long jarg1, ROMol jarg1_, int jarg2, boolean jarg3, boolean jarg4)
public static final java.lang.String SDWriter_getText__SWIG_3(long jarg1, ROMol jarg1_, int jarg2, boolean jarg3)
public static final java.lang.String SDWriter_getText__SWIG_4(long jarg1, ROMol jarg1_, int jarg2)
public static final java.lang.String SDWriter_getText__SWIG_5(long jarg1, ROMol jarg1_)
public static final void SDWriter_write__SWIG_0(long jarg1, SDWriter jarg1_, long jarg2, ROMol jarg2_, int jarg3)
public static final void SDWriter_write__SWIG_1(long jarg1, SDWriter jarg1_, long jarg2, ROMol jarg2_)
public static final void SDWriter_flush(long jarg1, SDWriter jarg1_)
public static final void SDWriter_close(long jarg1, SDWriter jarg1_)
public static final long SDWriter_numMols(long jarg1, SDWriter jarg1_)
public static final void SDWriter_setForceV3000(long jarg1, SDWriter jarg1_, boolean jarg2)
public static final boolean SDWriter_getForceV3000(long jarg1, SDWriter jarg1_)
public static final void SDWriter_setKekulize(long jarg1, SDWriter jarg1_, boolean jarg2)
public static final boolean SDWriter_getKekulize(long jarg1, SDWriter jarg1_)
public static final long new_TDTWriter__SWIG_0(java.lang.String jarg1)
public static final long new_TDTWriter__SWIG_1(long jarg1, boolean jarg2)
public static final long new_TDTWriter__SWIG_2(long jarg1)
public static final void delete_TDTWriter(long jarg1)
public static final void TDTWriter_setProps(long jarg1, TDTWriter jarg1_, long jarg2, Str_Vect jarg2_)
public static final void TDTWriter_write__SWIG_0(long jarg1, TDTWriter jarg1_, long jarg2, ROMol jarg2_, int jarg3)
public static final void TDTWriter_write__SWIG_1(long jarg1, TDTWriter jarg1_, long jarg2, ROMol jarg2_)
public static final void TDTWriter_flush(long jarg1, TDTWriter jarg1_)
public static final void TDTWriter_close(long jarg1, TDTWriter jarg1_)
public static final long TDTWriter_numMols(long jarg1, TDTWriter jarg1_)
public static final void TDTWriter_setWrite2D__SWIG_0(long jarg1, TDTWriter jarg1_, boolean jarg2)
public static final void TDTWriter_setWrite2D__SWIG_1(long jarg1, TDTWriter jarg1_)
public static final boolean TDTWriter_getWrite2D(long jarg1, TDTWriter jarg1_)
public static final void TDTWriter_setWriteNames__SWIG_0(long jarg1, TDTWriter jarg1_, boolean jarg2)
public static final void TDTWriter_setWriteNames__SWIG_1(long jarg1, TDTWriter jarg1_)
public static final boolean TDTWriter_getWriteNames(long jarg1, TDTWriter jarg1_)
public static final void TDTWriter_setNumDigits(long jarg1, TDTWriter jarg1_, long jarg2)
public static final long TDTWriter_getNumDigits(long jarg1, TDTWriter jarg1_)
public static final long new_PDBWriter__SWIG_0(java.lang.String jarg1, long jarg2)
public static final long new_PDBWriter__SWIG_1(java.lang.String jarg1)
public static final long new_PDBWriter__SWIG_2(long jarg1, boolean jarg2, long jarg3)
public static final long new_PDBWriter__SWIG_3(long jarg1, boolean jarg2)
public static final long new_PDBWriter__SWIG_4(long jarg1)
public static final void delete_PDBWriter(long jarg1)
public static final void PDBWriter_write__SWIG_0(long jarg1, PDBWriter jarg1_, long jarg2, ROMol jarg2_, int jarg3)
public static final void PDBWriter_write__SWIG_1(long jarg1, PDBWriter jarg1_, long jarg2, ROMol jarg2_)
public static final void PDBWriter_setProps(long jarg1, PDBWriter jarg1_, long jarg2, Str_Vect jarg2_)
public static final void PDBWriter_flush(long jarg1, PDBWriter jarg1_)
public static final void PDBWriter_close(long jarg1, PDBWriter jarg1_)
public static final long PDBWriter_numMols(long jarg1, PDBWriter jarg1_)
public static final long new_RingInfo__SWIG_0()
public static final long new_RingInfo__SWIG_1(long jarg1, RingInfo jarg1_)
public static final boolean RingInfo_isInitialized(long jarg1, RingInfo jarg1_)
public static final void RingInfo_initialize(long jarg1, RingInfo jarg1_)
public static final void RingInfo_reset(long jarg1, RingInfo jarg1_)
public static final long RingInfo_addRing(long jarg1, RingInfo jarg1_, long jarg2, Int_Vect jarg2_, long jarg3, Int_Vect jarg3_)
public static final boolean RingInfo_isAtomInRingOfSize(long jarg1, RingInfo jarg1_, long jarg2, long jarg3)
public static final long RingInfo_numAtomRings(long jarg1, RingInfo jarg1_, long jarg2)
public static final long RingInfo_minAtomRingSize(long jarg1, RingInfo jarg1_, long jarg2)
public static final long RingInfo_atomRings(long jarg1, RingInfo jarg1_)
public static final boolean RingInfo_isBondInRingOfSize(long jarg1, RingInfo jarg1_, long jarg2, long jarg3)
public static final long RingInfo_numBondRings(long jarg1, RingInfo jarg1_, long jarg2)
public static final long RingInfo_minBondRingSize(long jarg1, RingInfo jarg1_, long jarg2)
public static final long RingInfo_numRings(long jarg1, RingInfo jarg1_)
public static final long RingInfo_bondRings(long jarg1, RingInfo jarg1_)
public static final void delete_RingInfo(long jarg1)
public static final long new_ChemicalReactionException__SWIG_0(java.lang.String jarg1)
public static final java.lang.String ChemicalReactionException_message(long jarg1, ChemicalReactionException jarg1_)
public static final void delete_ChemicalReactionException(long jarg1)
public static final long new_ChemicalReaction__SWIG_0()
public static final long new_ChemicalReaction__SWIG_1(long jarg1, ChemicalReaction jarg1_)
public static final long new_ChemicalReaction__SWIG_2(java.lang.String jarg1)
public static final long ChemicalReaction_addReactantTemplate(long jarg1, ChemicalReaction jarg1_, long jarg2, ROMol jarg2_)
public static final long ChemicalReaction_addAgentTemplate(long jarg1, ChemicalReaction jarg1_, long jarg2, ROMol jarg2_)
public static final long ChemicalReaction_addProductTemplate(long jarg1, ChemicalReaction jarg1_, long jarg2, ROMol jarg2_)
public static final void ChemicalReaction_removeUnmappedReactantTemplates__SWIG_0(long jarg1, ChemicalReaction jarg1_, double jarg2, boolean jarg3, long jarg4, ROMol_Vect jarg4_)
public static final void ChemicalReaction_removeUnmappedReactantTemplates__SWIG_1(long jarg1, ChemicalReaction jarg1_, double jarg2, boolean jarg3)
public static final void ChemicalReaction_removeUnmappedReactantTemplates__SWIG_2(long jarg1, ChemicalReaction jarg1_, double jarg2)
public static final void ChemicalReaction_removeUnmappedReactantTemplates__SWIG_3(long jarg1, ChemicalReaction jarg1_)
public static final void ChemicalReaction_removeUnmappedProductTemplates__SWIG_0(long jarg1, ChemicalReaction jarg1_, double jarg2, boolean jarg3, long jarg4, ROMol_Vect jarg4_)
public static final void ChemicalReaction_removeUnmappedProductTemplates__SWIG_1(long jarg1, ChemicalReaction jarg1_, double jarg2, boolean jarg3)
public static final void ChemicalReaction_removeUnmappedProductTemplates__SWIG_2(long jarg1, ChemicalReaction jarg1_, double jarg2)
public static final void ChemicalReaction_removeUnmappedProductTemplates__SWIG_3(long jarg1, ChemicalReaction jarg1_)
public static final void ChemicalReaction_removeAgentTemplates__SWIG_0(long jarg1, ChemicalReaction jarg1_, long jarg2, ROMol_Vect jarg2_)
public static final void ChemicalReaction_removeAgentTemplates__SWIG_1(long jarg1, ChemicalReaction jarg1_)
public static final long ChemicalReaction_runReactants__SWIG_0(long jarg1, ChemicalReaction jarg1_, long jarg2, ROMol_Vect jarg2_, long jarg3)
public static final long ChemicalReaction_runReactants__SWIG_1(long jarg1, ChemicalReaction jarg1_, long jarg2, ROMol_Vect jarg2_)
public static final long ChemicalReaction_runReactant(long jarg1, ChemicalReaction jarg1_, long jarg2, ROMol jarg2_, long jarg3)
public static final long ChemicalReaction_getReactants(long jarg1, ChemicalReaction jarg1_)
public static final long ChemicalReaction_getAgents(long jarg1, ChemicalReaction jarg1_)
public static final long ChemicalReaction_getProducts(long jarg1, ChemicalReaction jarg1_)
public static final long ChemicalReaction_beginReactantTemplates__SWIG_0(long jarg1, ChemicalReaction jarg1_)
public static final long ChemicalReaction_endReactantTemplates__SWIG_0(long jarg1, ChemicalReaction jarg1_)
public static final long ChemicalReaction_beginProductTemplates__SWIG_0(long jarg1, ChemicalReaction jarg1_)
public static final long ChemicalReaction_endProductTemplates__SWIG_0(long jarg1, ChemicalReaction jarg1_)
public static final long ChemicalReaction_beginAgentTemplates__SWIG_0(long jarg1, ChemicalReaction jarg1_)
public static final long ChemicalReaction_endAgentTemplates__SWIG_0(long jarg1, ChemicalReaction jarg1_)
public static final long ChemicalReaction_getNumReactantTemplates(long jarg1, ChemicalReaction jarg1_)
public static final long ChemicalReaction_getNumProductTemplates(long jarg1, ChemicalReaction jarg1_)
public static final long ChemicalReaction_getNumAgentTemplates(long jarg1, ChemicalReaction jarg1_)
public static final void ChemicalReaction_initReactantMatchers(long jarg1, ChemicalReaction jarg1_)
public static final boolean ChemicalReaction_isInitialized(long jarg1, ChemicalReaction jarg1_)
public static final boolean ChemicalReaction_validate__SWIG_0(long jarg1, ChemicalReaction jarg1_, long jarg2, long jarg3, boolean jarg4)
public static final boolean ChemicalReaction_validate__SWIG_1(long jarg1, ChemicalReaction jarg1_, long jarg2, long jarg3)
public static final boolean ChemicalReaction_getImplicitPropertiesFlag(long jarg1, ChemicalReaction jarg1_)
public static final void ChemicalReaction_setImplicitPropertiesFlag(long jarg1, ChemicalReaction jarg1_, boolean jarg2)
public static final long ChemicalReaction_ReactionFromSmarts__SWIG_0(java.lang.String jarg1, boolean jarg2)
public static final long ChemicalReaction_ReactionFromSmarts__SWIG_1(java.lang.String jarg1)
public static final long ChemicalReaction_ReactionFromRxnBlock(java.lang.String jarg1)
public static final long ChemicalReaction_ReactionFromRxnFile(java.lang.String jarg1)
public static final java.lang.String ChemicalReaction_ReactionToSmarts(long jarg1, ChemicalReaction jarg1_)
public static final java.lang.String ChemicalReaction_ReactionToRxnBlock(long jarg1, ChemicalReaction jarg1_)
public static final long ChemicalReaction_ReduceProductToSideChains__SWIG_0(long jarg1, ROMol jarg1_, boolean jarg2)
public static final long ChemicalReaction_ReduceProductToSideChains__SWIG_1(long jarg1, ROMol jarg1_)
public static final void ChemicalReaction_compute2DCoordsForReaction(long jarg1, ChemicalReaction jarg1_, double jarg2, boolean jarg3, boolean jarg4, long jarg5, long jarg6, int jarg7, boolean jarg8)
public static final long ChemicalReaction_ToBinary(long jarg1, ChemicalReaction jarg1_)
public static final long ChemicalReaction_RxnFromBinary(long jarg1, Int_Vect jarg1_)
public static final long ChemicalReaction_validateReaction__SWIG_0(long jarg1, ChemicalReaction jarg1_, boolean jarg2)
public static final long ChemicalReaction_validateReaction__SWIG_1(long jarg1, ChemicalReaction jarg1_)
public static final boolean ChemicalReaction_validate__SWIG_2(long jarg1, ChemicalReaction jarg1_)
public static final void delete_ChemicalReaction(long jarg1)
public static final boolean isMoleculeReactantOfReaction__SWIG_0(long jarg1, ChemicalReaction jarg1_, long jarg2, ROMol jarg2_, long jarg3)
public static final boolean isMoleculeReactantOfReaction__SWIG_1(long jarg1, ChemicalReaction jarg1_, long jarg2, ROMol jarg2_)
public static final boolean isMoleculeProductOfReaction__SWIG_0(long jarg1, ChemicalReaction jarg1_, long jarg2, ROMol jarg2_, long jarg3)
public static final boolean isMoleculeProductOfReaction__SWIG_1(long jarg1, ChemicalReaction jarg1_, long jarg2, ROMol jarg2_)
public static final boolean isMoleculeAgentOfReaction__SWIG_0(long jarg1, ChemicalReaction jarg1_, long jarg2, ROMol jarg2_, long jarg3)
public static final boolean isMoleculeAgentOfReaction__SWIG_1(long jarg1, ChemicalReaction jarg1_, long jarg2, ROMol jarg2_)
public static final long getReactingAtoms__SWIG_0(long jarg1, ChemicalReaction jarg1_, boolean jarg2)
public static final long getReactingAtoms__SWIG_1(long jarg1, ChemicalReaction jarg1_)
public static final void addRecursiveQueriesToReaction__SWIG_0(long jarg1, ChemicalReaction jarg1_, long jarg2, StringMolMap jarg2_, java.lang.String jarg3, long jarg4)
public static final void addRecursiveQueriesToReaction__SWIG_1(long jarg1, ChemicalReaction jarg1_, long jarg2, StringMolMap jarg2_, java.lang.String jarg3)
public static final void compute2DCoordsForReaction__SWIG_0(long jarg1, ChemicalReaction jarg1_, double jarg2, boolean jarg3, boolean jarg4, long jarg5, long jarg6, int jarg7, boolean jarg8)
public static final void compute2DCoordsForReaction__SWIG_1(long jarg1, ChemicalReaction jarg1_, double jarg2, boolean jarg3, boolean jarg4, long jarg5, long jarg6, int jarg7)
public static final void compute2DCoordsForReaction__SWIG_2(long jarg1, ChemicalReaction jarg1_, double jarg2, boolean jarg3, boolean jarg4, long jarg5, long jarg6)
public static final void compute2DCoordsForReaction__SWIG_3(long jarg1, ChemicalReaction jarg1_, double jarg2, boolean jarg3, boolean jarg4, long jarg5)
public static final void compute2DCoordsForReaction__SWIG_4(long jarg1, ChemicalReaction jarg1_, double jarg2, boolean jarg3, boolean jarg4)
public static final void compute2DCoordsForReaction__SWIG_5(long jarg1, ChemicalReaction jarg1_, double jarg2, boolean jarg3)
public static final void compute2DCoordsForReaction__SWIG_6(long jarg1, ChemicalReaction jarg1_, double jarg2)
public static final void compute2DCoordsForReaction__SWIG_7(long jarg1, ChemicalReaction jarg1_)
public static final long new_ChemicalReactionParserException__SWIG_0(java.lang.String jarg1)
public static final java.lang.String ChemicalReactionParserException_message(long jarg1, ChemicalReactionParserException jarg1_)
public static final void delete_ChemicalReactionParserException(long jarg1)
public static final long RxnBlockToChemicalReaction(java.lang.String jarg1)
public static final long RxnFileToChemicalReaction(java.lang.String jarg1)
public static final long RxnDataStreamToChemicalReaction(long jarg1, long jarg2)
public static final long RxnSmartsToChemicalReaction__SWIG_0(java.lang.String jarg1, long jarg2, String_String_Map jarg2_, boolean jarg3)
public static final long RxnSmartsToChemicalReaction__SWIG_1(java.lang.String jarg1, long jarg2, String_String_Map jarg2_)
public static final long RxnSmartsToChemicalReaction__SWIG_2(java.lang.String jarg1)
public static final long RxnMolToChemicalReaction(long jarg1, ROMol jarg1_)
public static final java.lang.String ChemicalReactionToRxnSmarts(long jarg1, ChemicalReaction jarg1_)
public static final java.lang.String ChemicalReactionToRxnSmiles__SWIG_0(long jarg1, ChemicalReaction jarg1_, boolean jarg2)
public static final java.lang.String ChemicalReactionToRxnSmiles__SWIG_1(long jarg1, ChemicalReaction jarg1_)
public static final java.lang.String ChemicalReactionToRxnBlock__SWIG_0(long jarg1, ChemicalReaction jarg1_, boolean jarg2)
public static final java.lang.String ChemicalReactionToRxnBlock__SWIG_1(long jarg1, ChemicalReaction jarg1_)
public static final long ChemicalReactionToRxnMol(long jarg1, ChemicalReaction jarg1_)
public static final int ci_BITVECT_VERSION_get()
public static final void delete_BitVect(long jarg1)
public static final boolean BitVect_setBit(long jarg1, BitVect jarg1_, long jarg2)
public static final boolean BitVect_unsetBit(long jarg1, BitVect jarg1_, long jarg2)
public static final boolean BitVect_getBit(long jarg1, BitVect jarg1_, long jarg2)
public static final long BitVect_getNumBits(long jarg1, BitVect jarg1_)
public static final long BitVect_getNumOnBits(long jarg1, BitVect jarg1_)
public static final long BitVect_getNumOffBits(long jarg1, BitVect jarg1_)
public static final void BitVect_getOnBits(long jarg1, BitVect jarg1_, long jarg2, Int_Vect jarg2_)
public static final void BitVect_clearBits(long jarg1, BitVect jarg1_)
public static final void BitVect_initFromText__SWIG_0(long jarg1, BitVect jarg1_, java.lang.String jarg2, long jarg3, boolean jarg4, boolean jarg5)
public static final void BitVect_initFromText__SWIG_1(long jarg1, BitVect jarg1_, java.lang.String jarg2, long jarg3, boolean jarg4)
public static final void BitVect_initFromText__SWIG_2(long jarg1, BitVect jarg1_, java.lang.String jarg2, long jarg3)
public static final java.lang.String BitVect_toString(long jarg1, BitVect jarg1_)
public static final long BitVect_size(long jarg1, BitVect jarg1_)
public static final boolean AllProbeBitsMatch__SWIG_0(java.lang.String jarg1, java.lang.String jarg2)
public static final boolean AllProbeBitsMatch__SWIG_2(long jarg1, ExplicitBitVect jarg1_, long jarg2, ExplicitBitVect jarg2_)
public static final int NumOnBitsInCommon(long jarg1, ExplicitBitVect jarg1_, long jarg2, ExplicitBitVect jarg2_)
public static final int NumBitsInCommon(long jarg1, ExplicitBitVect jarg1_, long jarg2, ExplicitBitVect jarg2_)
public static final long CalcBitmapPopcount(long jarg1, long jarg2)
public static final double CalcBitmapTanimoto(long jarg1, long jarg2, long jarg3)
public static final double CalcBitmapDice(long jarg1, long jarg2, long jarg3)
public static final double CalcBitmapTversky(long jarg1, long jarg2, long jarg3, double jarg4, double jarg5)
public static final boolean CalcBitmapAllProbeBitsMatch(long jarg1, long jarg2, long jarg3)
public static final long convertToExplicit(long jarg1)
public static final long OnBitProjSimilarity(long jarg1, ExplicitBitVect jarg1_, long jarg2, ExplicitBitVect jarg2_)
public static final long FoldFingerprint__SWIG_2(long jarg1, ExplicitBitVect jarg1_, long jarg2)
public static final long FoldFingerprint__SWIG_3(long jarg1, ExplicitBitVect jarg1_)
public static final boolean AllProbeBitsMatch__SWIG_5(long jarg1, ExplicitBitVect jarg1_, java.lang.String jarg2)
public static final double TanimotoSimilarity(long jarg1, ExplicitBitVect jarg1_, long jarg2, ExplicitBitVect jarg2_)
public static final double CosineSimilarity(long jarg1, ExplicitBitVect jarg1_, long jarg2, ExplicitBitVect jarg2_)
public static final double KulczynskiSimilarity(long jarg1, ExplicitBitVect jarg1_, long jarg2, ExplicitBitVect jarg2_)
public static final double DiceSimilarity(long jarg1, ExplicitBitVect jarg1_, long jarg2, ExplicitBitVect jarg2_)
public static final double TverskySimilarity(long jarg1, ExplicitBitVect jarg1_, long jarg2, ExplicitBitVect jarg2_, double jarg3, double jarg4)
public static final double SokalSimilarity(long jarg1, ExplicitBitVect jarg1_, long jarg2, ExplicitBitVect jarg2_)
public static final double McConnaugheySimilarity(long jarg1, ExplicitBitVect jarg1_, long jarg2, ExplicitBitVect jarg2_)
public static final double AsymmetricSimilarity(long jarg1, ExplicitBitVect jarg1_, long jarg2, ExplicitBitVect jarg2_)
public static final double BraunBlanquetSimilarity(long jarg1, ExplicitBitVect jarg1_, long jarg2, ExplicitBitVect jarg2_)
public static final double RusselSimilarity(long jarg1, ExplicitBitVect jarg1_, long jarg2, ExplicitBitVect jarg2_)
public static final double OnBitSimilarity(long jarg1, ExplicitBitVect jarg1_, long jarg2, ExplicitBitVect jarg2_)
public static final double AllBitSimilarity(long jarg1, ExplicitBitVect jarg1_, long jarg2, ExplicitBitVect jarg2_)
public static final long OnBitsInCommon(long jarg1, ExplicitBitVect jarg1_, long jarg2, ExplicitBitVect jarg2_)
public static final long OffBitsInCommon(long jarg1, ExplicitBitVect jarg1_, long jarg2, ExplicitBitVect jarg2_)
public static final long OffBitProjSimilarity(long jarg1, ExplicitBitVect jarg1_, long jarg2, ExplicitBitVect jarg2_)
public static final java.lang.String BitVectToText(long jarg1, ExplicitBitVect jarg1_)
public static final void FromBitString(long jarg1, ExplicitBitVect jarg1_, java.lang.String jarg2)
public static final void FromDaylightString(long jarg1, ExplicitBitVect jarg1_, java.lang.String jarg2)
public static final java.lang.String BitVectToFPSText(long jarg1, ExplicitBitVect jarg1_)
public static final void UpdateBitVectFromFPSText(long jarg1, ExplicitBitVect jarg1_, java.lang.String jarg2)
public static final long new_UChar_Vect__SWIG_0()
public static final long new_UChar_Vect__SWIG_1(long jarg1)
public static final long UChar_Vect_size(long jarg1, UChar_Vect jarg1_)
public static final long UChar_Vect_capacity(long jarg1, UChar_Vect jarg1_)
public static final void UChar_Vect_reserve(long jarg1, UChar_Vect jarg1_, long jarg2)
public static final boolean UChar_Vect_isEmpty(long jarg1, UChar_Vect jarg1_)
public static final void UChar_Vect_clear(long jarg1, UChar_Vect jarg1_)
public static final void UChar_Vect_add(long jarg1, UChar_Vect jarg1_, short jarg2)
public static final short UChar_Vect_get(long jarg1, UChar_Vect jarg1_, int jarg2)
public static final void UChar_Vect_set(long jarg1, UChar_Vect jarg1_, int jarg2, short jarg3)
public static final boolean UChar_Vect_equals(long jarg1, UChar_Vect jarg1_, long jarg2, UChar_Vect jarg2_)
public static final void delete_UChar_Vect(long jarg1)
public static final long new_ExplicitBitVect__SWIG_0()
public static final long new_ExplicitBitVect__SWIG_1(long jarg1)
public static final long new_ExplicitBitVect__SWIG_2(long jarg1, ExplicitBitVect jarg1_)
public static final long new_ExplicitBitVect__SWIG_3(java.lang.String jarg1)
public static final long new_ExplicitBitVect__SWIG_4(java.lang.String jarg1, long jarg2)
public static final long new_ExplicitBitVect__SWIG_5(long jarg1)
public static final void delete_ExplicitBitVect(long jarg1)
public static final boolean ExplicitBitVect_setBit(long jarg1, ExplicitBitVect jarg1_, long jarg2)
public static final boolean ExplicitBitVect_unsetBit(long jarg1, ExplicitBitVect jarg1_, long jarg2)
public static final boolean ExplicitBitVect_getBit(long jarg1, ExplicitBitVect jarg1_, long jarg2)
public static final long ExplicitBitVect_getNumBits(long jarg1, ExplicitBitVect jarg1_)
public static final long ExplicitBitVect_getNumOnBits(long jarg1, ExplicitBitVect jarg1_)
public static final long ExplicitBitVect_getNumOffBits(long jarg1, ExplicitBitVect jarg1_)
public static final void ExplicitBitVect_clearBits(long jarg1, ExplicitBitVect jarg1_)
public static final java.lang.String ExplicitBitVect_toString(long jarg1, ExplicitBitVect jarg1_)
public static final long ExplicitBitVect_getOnBits(long jarg1, ExplicitBitVect jarg1_)
public static final byte[] ExplicitBitVect_toByteArray(long jarg1, ExplicitBitVect jarg1_)
public static final long new_ExplicitBitVect__SWIG_6(long jarg1, UChar_Vect jarg1_)
public static final long new_UIntPair__SWIG_0()
public static final long new_UIntPair__SWIG_1(long jarg1, long jarg2)
public static final long new_UIntPair__SWIG_2(long jarg1, UIntPair jarg1_)
public static final void UIntPair_first_set(long jarg1, UIntPair jarg1_, long jarg2)
public static final long UIntPair_first_get(long jarg1, UIntPair jarg1_)
public static final void UIntPair_second_set(long jarg1, UIntPair jarg1_, long jarg2)
public static final long UIntPair_second_get(long jarg1, UIntPair jarg1_)
public static final void delete_UIntPair(long jarg1)
public static final long new_UIntPairVect__SWIG_0()
public static final long new_UIntPairVect__SWIG_1(long jarg1)
public static final long UIntPairVect_size(long jarg1, UIntPairVect jarg1_)
public static final long UIntPairVect_capacity(long jarg1, UIntPairVect jarg1_)
public static final void UIntPairVect_reserve(long jarg1, UIntPairVect jarg1_, long jarg2)
public static final boolean UIntPairVect_isEmpty(long jarg1, UIntPairVect jarg1_)
public static final void UIntPairVect_clear(long jarg1, UIntPairVect jarg1_)
public static final void UIntPairVect_add(long jarg1, UIntPairVect jarg1_, long jarg2, UIntPair jarg2_)
public static final long UIntPairVect_get(long jarg1, UIntPairVect jarg1_, int jarg2)
public static final void UIntPairVect_set(long jarg1, UIntPairVect jarg1_, int jarg2, long jarg3, UIntPair jarg3_)
public static final boolean UIntPairVect_equals(long jarg1, UIntPairVect jarg1_, long jarg2, UIntPairVect jarg2_)
public static final void delete_UIntPairVect(long jarg1)
public static final long new_BitInfoMap__SWIG_0()
public static final long new_BitInfoMap__SWIG_1(long jarg1, BitInfoMap jarg1_)
public static final long BitInfoMap_size(long jarg1, BitInfoMap jarg1_)
public static final boolean BitInfoMap_empty(long jarg1, BitInfoMap jarg1_)
public static final void BitInfoMap_clear(long jarg1, BitInfoMap jarg1_)
public static final long BitInfoMap_get(long jarg1, BitInfoMap jarg1_, long jarg2)
public static final void BitInfoMap_set(long jarg1, BitInfoMap jarg1_, long jarg2, long jarg3, UIntPairVect jarg3_)
public static final void BitInfoMap_del(long jarg1, BitInfoMap jarg1_, long jarg2)
public static final boolean BitInfoMap_has_key(long jarg1, BitInfoMap jarg1_, long jarg2)
public static final void delete_BitInfoMap(long jarg1)
public static final long RDKFingerprintMol__SWIG_0(long jarg1, ROMol jarg1_, long jarg2, long jarg3, long jarg4, long jarg5, boolean jarg6, double jarg7, long jarg8, boolean jarg9, boolean jarg10, long jarg11, UInt_Vect jarg11_, long jarg12, UInt_Vect jarg12_, long jarg13, long jarg14)
public static final long RDKFingerprintMol__SWIG_1(long jarg1, ROMol jarg1_, long jarg2, long jarg3, long jarg4, long jarg5, boolean jarg6, double jarg7, long jarg8, boolean jarg9, boolean jarg10, long jarg11, UInt_Vect jarg11_, long jarg12, UInt_Vect jarg12_, long jarg13)
public static final long RDKFingerprintMol__SWIG_2(long jarg1, ROMol jarg1_, long jarg2, long jarg3, long jarg4, long jarg5, boolean jarg6, double jarg7, long jarg8, boolean jarg9, boolean jarg10, long jarg11, UInt_Vect jarg11_, long jarg12, UInt_Vect jarg12_)
public static final long RDKFingerprintMol__SWIG_3(long jarg1, ROMol jarg1_, long jarg2, long jarg3, long jarg4, long jarg5, boolean jarg6, double jarg7, long jarg8, boolean jarg9, boolean jarg10, long jarg11, UInt_Vect jarg11_)
public static final long RDKFingerprintMol__SWIG_4(long jarg1, ROMol jarg1_, long jarg2, long jarg3, long jarg4, long jarg5, boolean jarg6, double jarg7, long jarg8, boolean jarg9, boolean jarg10)
public static final long RDKFingerprintMol__SWIG_5(long jarg1, ROMol jarg1_, long jarg2, long jarg3, long jarg4, long jarg5, boolean jarg6, double jarg7, long jarg8, boolean jarg9)
public static final long RDKFingerprintMol__SWIG_6(long jarg1, ROMol jarg1_, long jarg2, long jarg3, long jarg4, long jarg5, boolean jarg6, double jarg7, long jarg8)
public static final long RDKFingerprintMol__SWIG_7(long jarg1, ROMol jarg1_, long jarg2, long jarg3, long jarg4, long jarg5, boolean jarg6, double jarg7)
public static final long RDKFingerprintMol__SWIG_8(long jarg1, ROMol jarg1_, long jarg2, long jarg3, long jarg4, long jarg5, boolean jarg6)
public static final long RDKFingerprintMol__SWIG_9(long jarg1, ROMol jarg1_, long jarg2, long jarg3, long jarg4, long jarg5)
public static final long RDKFingerprintMol__SWIG_10(long jarg1, ROMol jarg1_, long jarg2, long jarg3, long jarg4)
public static final long RDKFingerprintMol__SWIG_11(long jarg1, ROMol jarg1_, long jarg2, long jarg3)
public static final long RDKFingerprintMol__SWIG_12(long jarg1, ROMol jarg1_, long jarg2)
public static final long RDKFingerprintMol__SWIG_13(long jarg1, ROMol jarg1_)
public static final java.lang.String RDKFingerprintMolVersion_get()
public static final long LayeredFingerprintMol__SWIG_0(long jarg1, ROMol jarg1_, long jarg2, long jarg3, long jarg4, long jarg5, long jarg6, UInt_Vect jarg6_, long jarg7, ExplicitBitVect jarg7_, boolean jarg8, long jarg9, UInt_Vect jarg9_)
public static final long LayeredFingerprintMol__SWIG_1(long jarg1, ROMol jarg1_, long jarg2, long jarg3, long jarg4, long jarg5, long jarg6, UInt_Vect jarg6_, long jarg7, ExplicitBitVect jarg7_, boolean jarg8)
public static final long LayeredFingerprintMol__SWIG_2(long jarg1, ROMol jarg1_, long jarg2, long jarg3, long jarg4, long jarg5, long jarg6, UInt_Vect jarg6_, long jarg7, ExplicitBitVect jarg7_)
public static final long LayeredFingerprintMol__SWIG_3(long jarg1, ROMol jarg1_, long jarg2, long jarg3, long jarg4, long jarg5, long jarg6, UInt_Vect jarg6_)
public static final long LayeredFingerprintMol__SWIG_4(long jarg1, ROMol jarg1_, long jarg2, long jarg3, long jarg4, long jarg5)
public static final long LayeredFingerprintMol__SWIG_5(long jarg1, ROMol jarg1_, long jarg2, long jarg3, long jarg4)
public static final long LayeredFingerprintMol__SWIG_6(long jarg1, ROMol jarg1_, long jarg2, long jarg3)
public static final long LayeredFingerprintMol__SWIG_7(long jarg1, ROMol jarg1_, long jarg2)
public static final long LayeredFingerprintMol__SWIG_8(long jarg1, ROMol jarg1_)
public static final long maxFingerprintLayers_get()
public static final java.lang.String LayeredFingerprintMolVersion_get()
public static final long substructLayers_get()
public static final long PatternFingerprintMol__SWIG_0(long jarg1, ROMol jarg1_, long jarg2, long jarg3, UInt_Vect jarg3_, long jarg4, ExplicitBitVect jarg4_)
public static final long PatternFingerprintMol__SWIG_1(long jarg1, ROMol jarg1_, long jarg2, long jarg3, UInt_Vect jarg3_)
public static final long PatternFingerprintMol__SWIG_2(long jarg1, ROMol jarg1_, long jarg2)
public static final long PatternFingerprintMol__SWIG_3(long jarg1, ROMol jarg1_)
public static final long getUnfoldedRDKFingerprintMol__SWIG_0(long jarg1, ROMol jarg1_, long jarg2, long jarg3, boolean jarg4, boolean jarg5, boolean jarg6, long jarg7, UInt_Vect jarg7_, long jarg8, UInt_Vect jarg8_, long jarg9, long jarg10)
public static final long getUnfoldedRDKFingerprintMol__SWIG_1(long jarg1, ROMol jarg1_, long jarg2, long jarg3, boolean jarg4, boolean jarg5, boolean jarg6, long jarg7, UInt_Vect jarg7_, long jarg8, UInt_Vect jarg8_, long jarg9)
public static final long getUnfoldedRDKFingerprintMol__SWIG_2(long jarg1, ROMol jarg1_, long jarg2, long jarg3, boolean jarg4, boolean jarg5, boolean jarg6, long jarg7, UInt_Vect jarg7_, long jarg8, UInt_Vect jarg8_)
public static final long getUnfoldedRDKFingerprintMol__SWIG_3(long jarg1, ROMol jarg1_, long jarg2, long jarg3, boolean jarg4, boolean jarg5, boolean jarg6, long jarg7, UInt_Vect jarg7_)
public static final long getUnfoldedRDKFingerprintMol__SWIG_4(long jarg1, ROMol jarg1_, long jarg2, long jarg3, boolean jarg4, boolean jarg5, boolean jarg6)
public static final long getUnfoldedRDKFingerprintMol__SWIG_5(long jarg1, ROMol jarg1_, long jarg2, long jarg3, boolean jarg4, boolean jarg5)
public static final long getUnfoldedRDKFingerprintMol__SWIG_6(long jarg1, ROMol jarg1_, long jarg2, long jarg3, boolean jarg4)
public static final long getUnfoldedRDKFingerprintMol__SWIG_7(long jarg1, ROMol jarg1_, long jarg2, long jarg3)
public static final long getUnfoldedRDKFingerprintMol__SWIG_8(long jarg1, ROMol jarg1_, long jarg2)
public static final long getUnfoldedRDKFingerprintMol__SWIG_9(long jarg1, ROMol jarg1_)
public static final java.lang.String maccsFingerprintVersion_get()
public static final long MACCSFingerprintMol(long jarg1, ROMol jarg1_)
public static final long numTypeBits_get()
public static final long atomNumberTypes_get()
public static final long numPiBits_get()
public static final long maxNumPi_get()
public static final long numBranchBits_get()
public static final long maxNumBranches_get()
public static final long numChiralBits_get()
public static final long codeSize_get()
public static final long numPathBits_get()
public static final long maxPathLen_get()
public static final long numAtomPairFingerprintBits_get()
public static final long getAtomCode__SWIG_0(long jarg1, Atom jarg1_, long jarg2, boolean jarg3)
public static final long getAtomCode__SWIG_1(long jarg1, Atom jarg1_, long jarg2)
public static final long getAtomCode__SWIG_2(long jarg1, Atom jarg1_)
public static final long getAtomPairCode__SWIG_0(long jarg1, long jarg2, long jarg3, boolean jarg4)
public static final long getAtomPairCode__SWIG_1(long jarg1, long jarg2, long jarg3)
public static final java.math.BigInteger getTopologicalTorsionCode__SWIG_0(long jarg1, UInt_Vect jarg1_, boolean jarg2)
public static final java.math.BigInteger getTopologicalTorsionCode__SWIG_1(long jarg1, UInt_Vect jarg1_)
public static final long getTopologicalTorsionHash(long jarg1, UInt_Vect jarg1_)
public static final long new_ss_matcher__SWIG_0()
public static final long new_ss_matcher__SWIG_1(java.lang.String jarg1)
public static final long ss_matcher_getMatcher(long jarg1, ss_matcher jarg1_)
public static final void delete_ss_matcher(long jarg1)
public static final void defaultFeatureSmarts_set(long jarg1, Str_Vect jarg1_)
public static final long defaultFeatureSmarts_get()
public static final void getConnectivityInvariants__SWIG_0(long jarg1, ROMol jarg1_, long jarg2, UInt_Vect jarg2_, boolean jarg3)
public static final void getConnectivityInvariants__SWIG_1(long jarg1, ROMol jarg1_, long jarg2, UInt_Vect jarg2_)
public static final java.lang.String morganConnectivityInvariantVersion_get()
public static final void getFeatureInvariants__SWIG_0(long jarg1, ROMol jarg1_, long jarg2, UInt_Vect jarg2_, long jarg3)
public static final void getFeatureInvariants__SWIG_1(long jarg1, ROMol jarg1_, long jarg2, UInt_Vect jarg2_)
public static final java.lang.String morganFeatureInvariantVersion_get()
public static final void buildDefaultRDKitFingerprintAtomInvariants(long jarg1, ROMol jarg1_, long jarg2, UInt_Vect jarg2_)
public static final void identifyQueryBonds(long jarg1, ROMol jarg1_, long jarg2, long jarg3)
public static final long generateBondHashes(long jarg1, ROMol jarg1_, long jarg2, long jarg3, long jarg4, long jarg5, Int_Vect jarg5_, boolean jarg6, long jarg7, UInt_Vect jarg7_)
public static final java.lang.String morganFingerprintVersion_get()
public static final long MorganFingerprintMol__SWIG_0(long jarg1, ROMol jarg1_, long jarg2, long jarg3, UInt_Vect jarg3_, long jarg4, UInt_Vect jarg4_, boolean jarg5, boolean jarg6, boolean jarg7, boolean jarg8, long jarg9, BitInfoMap jarg9_)
public static final long MorganFingerprintMol__SWIG_1(long jarg1, ROMol jarg1_, long jarg2, long jarg3, UInt_Vect jarg3_, long jarg4, UInt_Vect jarg4_, boolean jarg5, boolean jarg6, boolean jarg7, boolean jarg8)
public static final long MorganFingerprintMol__SWIG_2(long jarg1, ROMol jarg1_, long jarg2, long jarg3, UInt_Vect jarg3_, long jarg4, UInt_Vect jarg4_, boolean jarg5, boolean jarg6, boolean jarg7)
public static final long MorganFingerprintMol__SWIG_3(long jarg1, ROMol jarg1_, long jarg2, long jarg3, UInt_Vect jarg3_, long jarg4, UInt_Vect jarg4_, boolean jarg5, boolean jarg6)
public static final long MorganFingerprintMol__SWIG_4(long jarg1, ROMol jarg1_, long jarg2, long jarg3, UInt_Vect jarg3_, long jarg4, UInt_Vect jarg4_, boolean jarg5)
public static final long MorganFingerprintMol__SWIG_5(long jarg1, ROMol jarg1_, long jarg2, long jarg3, UInt_Vect jarg3_, long jarg4, UInt_Vect jarg4_)
public static final long MorganFingerprintMol__SWIG_6(long jarg1, ROMol jarg1_, long jarg2, long jarg3, UInt_Vect jarg3_)
public static final long MorganFingerprintMol__SWIG_7(long jarg1, ROMol jarg1_, long jarg2)
public static final long getHashedFingerprint__SWIG_0(long jarg1, ROMol jarg1_, long jarg2, long jarg3, long jarg4, UInt_Vect jarg4_, long jarg5, UInt_Vect jarg5_, boolean jarg6, boolean jarg7, boolean jarg8, long jarg9, BitInfoMap jarg9_)
public static final long getHashedFingerprint__SWIG_1(long jarg1, ROMol jarg1_, long jarg2, long jarg3, long jarg4, UInt_Vect jarg4_, long jarg5, UInt_Vect jarg5_, boolean jarg6, boolean jarg7, boolean jarg8)
public static final long getHashedFingerprint__SWIG_2(long jarg1, ROMol jarg1_, long jarg2, long jarg3, long jarg4, UInt_Vect jarg4_, long jarg5, UInt_Vect jarg5_, boolean jarg6, boolean jarg7)
public static final long getHashedFingerprint__SWIG_3(long jarg1, ROMol jarg1_, long jarg2, long jarg3, long jarg4, UInt_Vect jarg4_, long jarg5, UInt_Vect jarg5_, boolean jarg6)
public static final long getHashedFingerprint__SWIG_4(long jarg1, ROMol jarg1_, long jarg2, long jarg3, long jarg4, UInt_Vect jarg4_, long jarg5, UInt_Vect jarg5_)
public static final long getHashedFingerprint__SWIG_5(long jarg1, ROMol jarg1_, long jarg2, long jarg3, long jarg4, UInt_Vect jarg4_)
public static final long getHashedFingerprint__SWIG_6(long jarg1, ROMol jarg1_, long jarg2, long jarg3)
public static final long getHashedFingerprint__SWIG_7(long jarg1, ROMol jarg1_, long jarg2)
public static final long getMorganFingerprintAsBitVect__SWIG_0(long jarg1, ROMol jarg1_, long jarg2, long jarg3, long jarg4, UInt_Vect jarg4_, long jarg5, UInt_Vect jarg5_, boolean jarg6, boolean jarg7, boolean jarg8, long jarg9, BitInfoMap jarg9_)
public static final long getMorganFingerprintAsBitVect__SWIG_1(long jarg1, ROMol jarg1_, long jarg2, long jarg3, long jarg4, UInt_Vect jarg4_, long jarg5, UInt_Vect jarg5_, boolean jarg6, boolean jarg7, boolean jarg8)
public static final long getMorganFingerprintAsBitVect__SWIG_2(long jarg1, ROMol jarg1_, long jarg2, long jarg3, long jarg4, UInt_Vect jarg4_, long jarg5, UInt_Vect jarg5_, boolean jarg6, boolean jarg7)
public static final long getMorganFingerprintAsBitVect__SWIG_3(long jarg1, ROMol jarg1_, long jarg2, long jarg3, long jarg4, UInt_Vect jarg4_, long jarg5, UInt_Vect jarg5_, boolean jarg6)
public static final long getMorganFingerprintAsBitVect__SWIG_4(long jarg1, ROMol jarg1_, long jarg2, long jarg3, long jarg4, UInt_Vect jarg4_, long jarg5, UInt_Vect jarg5_)
public static final long getMorganFingerprintAsBitVect__SWIG_5(long jarg1, ROMol jarg1_, long jarg2, long jarg3, long jarg4, UInt_Vect jarg4_)
public static final long getMorganFingerprintAsBitVect__SWIG_6(long jarg1, ROMol jarg1_, long jarg2, long jarg3)
public static final double TanimotoSimilarityEBV(long jarg1, ExplicitBitVect jarg1_, long jarg2, ExplicitBitVect jarg2_)
public static final double DiceSimilarity__SWIG_3(long jarg1, SparseIntVectu32 jarg1_, long jarg2, SparseIntVectu32 jarg2_, boolean jarg3, double jarg4)
public static final double DiceSimilarity__SWIG_4(long jarg1, SparseIntVectu32 jarg1_, long jarg2, SparseIntVectu32 jarg2_, boolean jarg3)
public static final double DiceSimilarity__SWIG_5(long jarg1, SparseIntVectu32 jarg1_, long jarg2, SparseIntVectu32 jarg2_)
public static final double DiceSimilarity__SWIG_6(long jarg1, SparseIntVect32 jarg1_, long jarg2, SparseIntVect32 jarg2_, boolean jarg3, double jarg4)
public static final double DiceSimilarity__SWIG_7(long jarg1, SparseIntVect32 jarg1_, long jarg2, SparseIntVect32 jarg2_, boolean jarg3)
public static final double DiceSimilarity__SWIG_8(long jarg1, SparseIntVect32 jarg1_, long jarg2, SparseIntVect32 jarg2_)
public static final double DiceSimilarity__SWIG_9(long jarg1, SparseIntVect64 jarg1_, long jarg2, SparseIntVect64 jarg2_, boolean jarg3, double jarg4)
public static final double DiceSimilarity__SWIG_10(long jarg1, SparseIntVect64 jarg1_, long jarg2, SparseIntVect64 jarg2_, boolean jarg3)
public static final double DiceSimilarity__SWIG_11(long jarg1, SparseIntVect64 jarg1_, long jarg2, SparseIntVect64 jarg2_)
public static final double TanimotoSimilaritySIVu32__SWIG_0(long jarg1, SparseIntVectu32 jarg1_, long jarg2, SparseIntVectu32 jarg2_, boolean jarg3, double jarg4)
public static final double TanimotoSimilaritySIVu32__SWIG_1(long jarg1, SparseIntVectu32 jarg1_, long jarg2, SparseIntVectu32 jarg2_, boolean jarg3)
public static final double TanimotoSimilaritySIVu32__SWIG_2(long jarg1, SparseIntVectu32 jarg1_, long jarg2, SparseIntVectu32 jarg2_)
public static final double TanimotoSimilaritySIVi32__SWIG_0(long jarg1, SparseIntVect32 jarg1_, long jarg2, SparseIntVect32 jarg2_, boolean jarg3, double jarg4)
public static final double TanimotoSimilaritySIVi32__SWIG_1(long jarg1, SparseIntVect32 jarg1_, long jarg2, SparseIntVect32 jarg2_, boolean jarg3)
public static final double TanimotoSimilaritySIVi32__SWIG_2(long jarg1, SparseIntVect32 jarg1_, long jarg2, SparseIntVect32 jarg2_)
public static final double TanimotoSimilaritySIVi64__SWIG_0(long jarg1, SparseIntVect64 jarg1_, long jarg2, SparseIntVect64 jarg2_, boolean jarg3, double jarg4)
public static final double TanimotoSimilaritySIVi64__SWIG_1(long jarg1, SparseIntVect64 jarg1_, long jarg2, SparseIntVect64 jarg2_, boolean jarg3)
public static final double TanimotoSimilaritySIVi64__SWIG_2(long jarg1, SparseIntVect64 jarg1_, long jarg2, SparseIntVect64 jarg2_)
public static final double TverskySimilarity__SWIG_3(long jarg1, SparseIntVectu32 jarg1_, long jarg2, SparseIntVectu32 jarg2_, double jarg3, double jarg4, boolean jarg5, double jarg6)
public static final double TverskySimilarity__SWIG_4(long jarg1, SparseIntVectu32 jarg1_, long jarg2, SparseIntVectu32 jarg2_, double jarg3, double jarg4, boolean jarg5)
public static final double TverskySimilarity__SWIG_5(long jarg1, SparseIntVectu32 jarg1_, long jarg2, SparseIntVectu32 jarg2_, double jarg3, double jarg4)
public static final double TverskySimilarity__SWIG_6(long jarg1, SparseIntVect32 jarg1_, long jarg2, SparseIntVect32 jarg2_, double jarg3, double jarg4, boolean jarg5, double jarg6)
public static final double TverskySimilarity__SWIG_7(long jarg1, SparseIntVect32 jarg1_, long jarg2, SparseIntVect32 jarg2_, double jarg3, double jarg4, boolean jarg5)
public static final double TverskySimilarity__SWIG_8(long jarg1, SparseIntVect32 jarg1_, long jarg2, SparseIntVect32 jarg2_, double jarg3, double jarg4)
public static final double TverskySimilarity__SWIG_9(long jarg1, SparseIntVect64 jarg1_, long jarg2, SparseIntVect64 jarg2_, double jarg3, double jarg4, boolean jarg5, double jarg6)
public static final double TverskySimilarity__SWIG_10(long jarg1, SparseIntVect64 jarg1_, long jarg2, SparseIntVect64 jarg2_, double jarg3, double jarg4, boolean jarg5)
public static final double TverskySimilarity__SWIG_11(long jarg1, SparseIntVect64 jarg1_, long jarg2, SparseIntVect64 jarg2_, double jarg3, double jarg4)
public static final long getFeatureFingerprint__SWIG_0(long jarg1, ROMol jarg1_, long jarg2, boolean jarg3, boolean jarg4, boolean jarg5)
public static final long getFeatureFingerprint__SWIG_1(long jarg1, ROMol jarg1_, long jarg2, boolean jarg3, boolean jarg4)
public static final long getFeatureFingerprint__SWIG_2(long jarg1, ROMol jarg1_, long jarg2, boolean jarg3)
public static final long getFeatureFingerprint__SWIG_3(long jarg1, ROMol jarg1_, long jarg2)
public static final int AtomPairFP_get()
public static final long new_ReactionFingerprintParams__SWIG_0()
public static final long new_ReactionFingerprintParams__SWIG_1(boolean jarg1, double jarg2, long jarg3, int jarg4, long jarg5, int jarg6)
public static final void ReactionFingerprintParams_includeAgents_set(long jarg1, ReactionFingerprintParams jarg1_, boolean jarg2)
public static final boolean ReactionFingerprintParams_includeAgents_get(long jarg1, ReactionFingerprintParams jarg1_)
public static final void ReactionFingerprintParams_bitRatioAgents_set(long jarg1, ReactionFingerprintParams jarg1_, double jarg2)
public static final double ReactionFingerprintParams_bitRatioAgents_get(long jarg1, ReactionFingerprintParams jarg1_)
public static final void ReactionFingerprintParams_nonAgentWeight_set(long jarg1, ReactionFingerprintParams jarg1_, long jarg2)
public static final long ReactionFingerprintParams_nonAgentWeight_get(long jarg1, ReactionFingerprintParams jarg1_)
public static final void ReactionFingerprintParams_agentWeight_set(long jarg1, ReactionFingerprintParams jarg1_, int jarg2)
public static final int ReactionFingerprintParams_agentWeight_get(long jarg1, ReactionFingerprintParams jarg1_)
public static final void ReactionFingerprintParams_fpSize_set(long jarg1, ReactionFingerprintParams jarg1_, long jarg2)
public static final long ReactionFingerprintParams_fpSize_get(long jarg1, ReactionFingerprintParams jarg1_)
public static final void ReactionFingerprintParams_fpType_set(long jarg1, ReactionFingerprintParams jarg1_, int jarg2)
public static final int ReactionFingerprintParams_fpType_get(long jarg1, ReactionFingerprintParams jarg1_)
public static final void delete_ReactionFingerprintParams(long jarg1)
public static final long DefaultStructuralFPParams_get()
public static final long DefaultDifferenceFPParams_get()
public static final long StructuralFingerprintChemReaction__SWIG_0(long jarg1, ChemicalReaction jarg1_, long jarg2, ReactionFingerprintParams jarg2_)
public static final long StructuralFingerprintChemReaction__SWIG_1(long jarg1, ChemicalReaction jarg1_)
public static final long DifferenceFingerprintChemReaction__SWIG_0(long jarg1, ChemicalReaction jarg1_, long jarg2, ReactionFingerprintParams jarg2_)
public static final long DifferenceFingerprintChemReaction__SWIG_1(long jarg1, ChemicalReaction jarg1_)
public static final long new_Int_Int_Vect_Map__SWIG_0()
public static final long new_Int_Int_Vect_Map__SWIG_1(long jarg1, Int_Int_Vect_Map jarg1_)
public static final long Int_Int_Vect_Map_size(long jarg1, Int_Int_Vect_Map jarg1_)
public static final boolean Int_Int_Vect_Map_empty(long jarg1, Int_Int_Vect_Map jarg1_)
public static final void Int_Int_Vect_Map_clear(long jarg1, Int_Int_Vect_Map jarg1_)
public static final long Int_Int_Vect_Map_get(long jarg1, Int_Int_Vect_Map jarg1_, int jarg2)
public static final void Int_Int_Vect_Map_set(long jarg1, Int_Int_Vect_Map jarg1_, int jarg2, long jarg3, Int_Vect jarg3_)
public static final void Int_Int_Vect_Map_del(long jarg1, Int_Int_Vect_Map jarg1_, int jarg2)
public static final boolean Int_Int_Vect_Map_has_key(long jarg1, Int_Int_Vect_Map jarg1_, int jarg2)
public static final void delete_Int_Int_Vect_Map(long jarg1)
public static final void pickFusedRings__SWIG_0(int jarg1, long jarg2, Int_Int_Vect_Map jarg2_, long jarg3, Int_Vect jarg3_, long jarg4, int jarg5)
public static final void pickFusedRings__SWIG_1(int jarg1, long jarg2, Int_Int_Vect_Map jarg2_, long jarg3, Int_Vect jarg3_, long jarg4)
public static final void makeRingNeighborMap__SWIG_0(long jarg1, Int_Vect_Vect jarg1_, long jarg2, Int_Int_Vect_Map jarg2_, long jarg3, long jarg4)
public static final void makeRingNeighborMap__SWIG_1(long jarg1, Int_Vect_Vect jarg1_, long jarg2, Int_Int_Vect_Map jarg2_, long jarg3)
public static final void makeRingNeighborMap__SWIG_2(long jarg1, Int_Vect_Vect jarg1_, long jarg2, Int_Int_Vect_Map jarg2_)
public static final void convertToBonds(long jarg1, Int_Vect_Vect jarg1_, long jarg2, Int_Vect_Vect jarg2_, long jarg3, ROMol jarg3_)
public static final long new_IntMatrix__SWIG_0(long jarg1, long jarg2)
public static final long new_IntMatrix__SWIG_1(long jarg1, long jarg2, int jarg3)
public static final long new_IntMatrix__SWIG_2(long jarg1, long jarg2, long jarg3, Shared_Int_Array jarg3_)
public static final long new_IntMatrix__SWIG_3(long jarg1, IntMatrix jarg1_)
public static final void delete_IntMatrix(long jarg1)
public static final long IntMatrix_numRows(long jarg1, IntMatrix jarg1_)
public static final long IntMatrix_numCols(long jarg1, IntMatrix jarg1_)
public static final long IntMatrix_getDataSize(long jarg1, IntMatrix jarg1_)
public static final int IntMatrix_getVal(long jarg1, IntMatrix jarg1_, long jarg2, long jarg3)
public static final void IntMatrix_setVal(long jarg1, IntMatrix jarg1_, long jarg2, long jarg3, int jarg4)
public static final void IntMatrix_getRow(long jarg1, IntMatrix jarg1_, long jarg2, long jarg3)
public static final void IntMatrix_getCol(long jarg1, IntMatrix jarg1_, long jarg2, long jarg3)
public static final long IntMatrix_getData__SWIG_0(long jarg1, IntMatrix jarg1_)
public static final long IntMatrix_assign(long jarg1, IntMatrix jarg1_, long jarg2, IntMatrix jarg2_)
public static final long IntMatrix_transpose(long jarg1, IntMatrix jarg1_, long jarg2, IntMatrix jarg2_)
public static final long new_DoubleMatrix__SWIG_0(long jarg1, long jarg2)
public static final long new_DoubleMatrix__SWIG_1(long jarg1, long jarg2, double jarg3)
public static final long new_DoubleMatrix__SWIG_2(long jarg1, long jarg2, long jarg3, Shared_Double_Array jarg3_)
public static final long new_DoubleMatrix__SWIG_3(long jarg1, DoubleMatrix jarg1_)
public static final void delete_DoubleMatrix(long jarg1)
public static final long DoubleMatrix_numRows(long jarg1, DoubleMatrix jarg1_)
public static final long DoubleMatrix_numCols(long jarg1, DoubleMatrix jarg1_)
public static final long DoubleMatrix_getDataSize(long jarg1, DoubleMatrix jarg1_)
public static final double DoubleMatrix_getVal(long jarg1, DoubleMatrix jarg1_, long jarg2, long jarg3)
public static final void DoubleMatrix_setVal(long jarg1, DoubleMatrix jarg1_, long jarg2, long jarg3, double jarg4)
public static final void DoubleMatrix_getRow(long jarg1, DoubleMatrix jarg1_, long jarg2, long jarg3)
public static final void DoubleMatrix_getCol(long jarg1, DoubleMatrix jarg1_, long jarg2, long jarg3)
public static final long DoubleMatrix_getData__SWIG_0(long jarg1, DoubleMatrix jarg1_)
public static final long DoubleMatrix_assign(long jarg1, DoubleMatrix jarg1_, long jarg2, DoubleMatrix jarg2_)
public static final long DoubleMatrix_transpose(long jarg1, DoubleMatrix jarg1_, long jarg2, DoubleMatrix jarg2_)
public static final long new_IntSymmMatrix__SWIG_0(long jarg1)
public static final long new_IntSymmMatrix__SWIG_1(long jarg1, int jarg2)
public static final long new_IntSymmMatrix__SWIG_2(long jarg1, long jarg2, Shared_Int_Array jarg2_)
public static final long new_IntSymmMatrix__SWIG_3(long jarg1, IntSymmMatrix jarg1_)
public static final void delete_IntSymmMatrix(long jarg1)
public static final long IntSymmMatrix_numRows(long jarg1, IntSymmMatrix jarg1_)
public static final long IntSymmMatrix_numCols(long jarg1, IntSymmMatrix jarg1_)
public static final long IntSymmMatrix_getDataSize(long jarg1, IntSymmMatrix jarg1_)
public static final void IntSymmMatrix_setToIdentity(long jarg1, IntSymmMatrix jarg1_)
public static final int IntSymmMatrix_getVal(long jarg1, IntSymmMatrix jarg1_, long jarg2, long jarg3)
public static final void IntSymmMatrix_setVal(long jarg1, IntSymmMatrix jarg1_, long jarg2, long jarg3, int jarg4)
public static final void IntSymmMatrix_getRow(long jarg1, IntSymmMatrix jarg1_, long jarg2, long jarg3)
public static final void IntSymmMatrix_getCol(long jarg1, IntSymmMatrix jarg1_, long jarg2, long jarg3)
public static final long IntSymmMatrix_getData__SWIG_0(long jarg1, IntSymmMatrix jarg1_)
public static final long IntSymmMatrix_transpose(long jarg1, IntSymmMatrix jarg1_, long jarg2, IntSymmMatrix jarg2_)
public static final long IntSymmMatrix_transposeInplace(long jarg1, IntSymmMatrix jarg1_)
public static final long new_DoubleSymmMatrix__SWIG_0(long jarg1)
public static final long new_DoubleSymmMatrix__SWIG_1(long jarg1, double jarg2)
public static final long new_DoubleSymmMatrix__SWIG_2(long jarg1, long jarg2, Shared_Double_Array jarg2_)
public static final long new_DoubleSymmMatrix__SWIG_3(long jarg1, DoubleSymmMatrix jarg1_)
public static final void delete_DoubleSymmMatrix(long jarg1)
public static final long DoubleSymmMatrix_numRows(long jarg1, DoubleSymmMatrix jarg1_)
public static final long DoubleSymmMatrix_numCols(long jarg1, DoubleSymmMatrix jarg1_)
public static final long DoubleSymmMatrix_getDataSize(long jarg1, DoubleSymmMatrix jarg1_)
public static final void DoubleSymmMatrix_setToIdentity(long jarg1, DoubleSymmMatrix jarg1_)
public static final double DoubleSymmMatrix_getVal(long jarg1, DoubleSymmMatrix jarg1_, long jarg2, long jarg3)
public static final void DoubleSymmMatrix_setVal(long jarg1, DoubleSymmMatrix jarg1_, long jarg2, long jarg3, double jarg4)
public static final void DoubleSymmMatrix_getRow(long jarg1, DoubleSymmMatrix jarg1_, long jarg2, long jarg3)
public static final void DoubleSymmMatrix_getCol(long jarg1, DoubleSymmMatrix jarg1_, long jarg2, long jarg3)
public static final long DoubleSymmMatrix_getData__SWIG_0(long jarg1, DoubleSymmMatrix jarg1_)
public static final long DoubleSymmMatrix_transpose(long jarg1, DoubleSymmMatrix jarg1_, long jarg2, DoubleSymmMatrix jarg2_)
public static final long DoubleSymmMatrix_transposeInplace(long jarg1, DoubleSymmMatrix jarg1_)
public static final long new_DoubleSquareMatrix__SWIG_0()
public static final long new_DoubleSquareMatrix__SWIG_1(long jarg1)
public static final long new_DoubleSquareMatrix__SWIG_2(long jarg1, double jarg2)
public static final long new_DoubleSquareMatrix__SWIG_3(long jarg1, long jarg2, Shared_Double_Array jarg2_)
public static final long DoubleSquareMatrix_transposeInplace(long jarg1, DoubleSquareMatrix jarg1_)
public static final void delete_DoubleSquareMatrix(long jarg1)
public static final long DIM_2D_get()
public static final long new_Transform2D()
public static final void Transform2D_setToIdentity(long jarg1, Transform2D jarg1_)
public static final void Transform2D_TransformPoint(long jarg1, Transform2D jarg1_, long jarg2, Point2D jarg2_)
public static final void Transform2D_SetTranslation(long jarg1, Transform2D jarg1_, long jarg2, Point2D jarg2_)
public static final void Transform2D_SetTransform__SWIG_0(long jarg1, Transform2D jarg1_, long jarg2, Point2D jarg2_, long jarg3, Point2D jarg3_, long jarg4, Point2D jarg4_, long jarg5, Point2D jarg5_)
public static final void Transform2D_SetTransform__SWIG_1(long jarg1, Transform2D jarg1_, long jarg2, Point2D jarg2_, double jarg3)
public static final void delete_Transform2D(long jarg1)
public static final long DIM_3D_get()
public static final long new_Transform3D()
public static final void Transform3D_setToIdentity(long jarg1, Transform3D jarg1_)
public static final void Transform3D_TransformPoint(long jarg1, Transform3D jarg1_, long jarg2, Point3D jarg2_)
public static final void Transform3D_SetTranslation(long jarg1, Transform3D jarg1_, long jarg2, Point3D jarg2_)
public static final void Transform3D_SetRotation__SWIG_0(long jarg1, Transform3D jarg1_, double jarg2, int jarg3)
public static final void Transform3D_SetRotation__SWIG_1(long jarg1, Transform3D jarg1_, double jarg2, long jarg3, Point3D jarg3_)
public static final void Transform3D_SetRotation__SWIG_2(long jarg1, Transform3D jarg1_, double jarg2, double jarg3, long jarg4, Point3D jarg4_)
public static final void Transform3D_SetRotationFromQuaternion(long jarg1, Transform3D jarg1_, long jarg2)
public static final void Transform3D_Reflect(long jarg1, Transform3D jarg1_)
public static final void delete_Transform3D(long jarg1)
public static final void ChiralSet_d_idx0_set(long jarg1, ChiralSet jarg1_, long jarg2)
public static final long ChiralSet_d_idx0_get(long jarg1, ChiralSet jarg1_)
public static final void ChiralSet_d_idx1_set(long jarg1, ChiralSet jarg1_, long jarg2)
public static final long ChiralSet_d_idx1_get(long jarg1, ChiralSet jarg1_)
public static final void ChiralSet_d_idx2_set(long jarg1, ChiralSet jarg1_, long jarg2)
public static final long ChiralSet_d_idx2_get(long jarg1, ChiralSet jarg1_)
public static final void ChiralSet_d_idx3_set(long jarg1, ChiralSet jarg1_, long jarg2)
public static final long ChiralSet_d_idx3_get(long jarg1, ChiralSet jarg1_)
public static final void ChiralSet_d_idx4_set(long jarg1, ChiralSet jarg1_, long jarg2)
public static final long ChiralSet_d_idx4_get(long jarg1, ChiralSet jarg1_)
public static final void ChiralSet_d_volumeLowerBound_set(long jarg1, ChiralSet jarg1_, double jarg2)
public static final double ChiralSet_d_volumeLowerBound_get(long jarg1, ChiralSet jarg1_)
public static final void ChiralSet_d_volumeUpperBound_set(long jarg1, ChiralSet jarg1_, double jarg2)
public static final double ChiralSet_d_volumeUpperBound_get(long jarg1, ChiralSet jarg1_)
public static final long new_ChiralSet(long jarg1, long jarg2, long jarg3, long jarg4, long jarg5, double jarg6, double jarg7)
public static final double ChiralSet_getUpperVolumeBound(long jarg1, ChiralSet jarg1_)
public static final double ChiralSet_getLowerVolumeBound(long jarg1, ChiralSet jarg1_)
public static final void delete_ChiralSet(long jarg1)
public static final long new_BoundsMatrix__SWIG_0(long jarg1)
public static final long new_BoundsMatrix__SWIG_1(long jarg1, long jarg2, Shared_Double_Array jarg2_)
public static final double BoundsMatrix_getUpperBound(long jarg1, BoundsMatrix jarg1_, long jarg2, long jarg3)
public static final void BoundsMatrix_setUpperBound(long jarg1, BoundsMatrix jarg1_, long jarg2, long jarg3, double jarg4)
public static final void BoundsMatrix_setUpperBoundIfBetter(long jarg1, BoundsMatrix jarg1_, long jarg2, long jarg3, double jarg4)
public static final void BoundsMatrix_setLowerBound(long jarg1, BoundsMatrix jarg1_, long jarg2, long jarg3, double jarg4)
public static final void BoundsMatrix_setLowerBoundIfBetter(long jarg1, BoundsMatrix jarg1_, long jarg2, long jarg3, double jarg4)
public static final double BoundsMatrix_getLowerBound(long jarg1, BoundsMatrix jarg1_, long jarg2, long jarg3)
public static final boolean BoundsMatrix_checkValid(long jarg1, BoundsMatrix jarg1_)
public static final void delete_BoundsMatrix(long jarg1)
public static final void initBoundsMat__SWIG_0(long jarg1, BoundsMatrix jarg1_, double jarg2, double jarg3)
public static final void initBoundsMat__SWIG_1(long jarg1, BoundsMatrix jarg1_, double jarg2)
public static final void initBoundsMat__SWIG_2(long jarg1, BoundsMatrix jarg1_)
public static final void setTopolBounds__SWIG_0(long jarg1, ROMol jarg1_, long jarg2, boolean jarg3, boolean jarg4)
public static final void setTopolBounds__SWIG_1(long jarg1, ROMol jarg1_, long jarg2, boolean jarg3)
public static final void setTopolBounds__SWIG_2(long jarg1, ROMol jarg1_, long jarg2)
public static final void setTopolBounds__SWIG_3(long jarg1, ROMol jarg1_, long jarg2, long jarg3, Match_Vect jarg3_, long jarg4, Int_Vect_Vect jarg4_, boolean jarg5, boolean jarg6)
public static final void setTopolBounds__SWIG_4(long jarg1, ROMol jarg1_, long jarg2, long jarg3, Match_Vect jarg3_, long jarg4, Int_Vect_Vect jarg4_, boolean jarg5)
public static final void setTopolBounds__SWIG_5(long jarg1, ROMol jarg1_, long jarg2, long jarg3, Match_Vect jarg3_, long jarg4, Int_Vect_Vect jarg4_)
public static final void collectBondsAndAngles(long jarg1, ROMol jarg1_, long jarg2, Match_Vect jarg2_, long jarg3, Int_Vect_Vect jarg3_)
public static final double pickRandomDistMat__SWIG_0(long jarg1, BoundsMatrix jarg1_, long jarg2, DoubleSymmMatrix jarg2_, int jarg3)
public static final double pickRandomDistMat__SWIG_1(long jarg1, BoundsMatrix jarg1_, long jarg2, DoubleSymmMatrix jarg2_)
public static final double pickRandomDistMat__SWIG_2(long jarg1, BoundsMatrix jarg1_, long jarg2, DoubleSymmMatrix jarg2_, long jarg3)
public static final boolean computeInitialCoords__SWIG_0(long jarg1, DoubleSymmMatrix jarg1_, long jarg2, Point_Vect jarg2_, boolean jarg3, long jarg4, int jarg5)
public static final boolean computeInitialCoords__SWIG_1(long jarg1, DoubleSymmMatrix jarg1_, long jarg2, Point_Vect jarg2_, boolean jarg3, long jarg4)
public static final boolean computeInitialCoords__SWIG_2(long jarg1, DoubleSymmMatrix jarg1_, long jarg2, Point_Vect jarg2_, boolean jarg3)
public static final boolean computeInitialCoords__SWIG_3(long jarg1, DoubleSymmMatrix jarg1_, long jarg2, Point_Vect jarg2_)
public static final boolean computeInitialCoords__SWIG_4(long jarg1, DoubleSymmMatrix jarg1_, long jarg2, Point_Vect jarg2_, long jarg3, boolean jarg4, long jarg5)
public static final boolean computeInitialCoords__SWIG_5(long jarg1, DoubleSymmMatrix jarg1_, long jarg2, Point_Vect jarg2_, long jarg3, boolean jarg4)
public static final boolean computeInitialCoords__SWIG_6(long jarg1, DoubleSymmMatrix jarg1_, long jarg2, Point_Vect jarg2_, long jarg3)
public static final boolean computeRandomCoords__SWIG_0(long jarg1, Point_Vect jarg1_, double jarg2, int jarg3)
public static final boolean computeRandomCoords__SWIG_1(long jarg1, Point_Vect jarg1_, double jarg2)
public static final boolean computeRandomCoords__SWIG_2(long jarg1, Point_Vect jarg1_, double jarg2, long jarg3)
public static final long construct3DForceField(long jarg1, BoundsMatrix jarg1_, long jarg2, Point3D_Vect jarg2_, long jarg3)
public static final long constructPlain3DForceField(long jarg1, BoundsMatrix jarg1_, long jarg2, Point3D_Vect jarg2_, long jarg3)
public static final long construct3DImproperForceField(long jarg1, BoundsMatrix jarg1_, long jarg2, Point3D_Vect jarg2_, long jarg3, Int_Vect_Vect jarg3_, long jarg4, Int_Vect jarg4_)
public static final boolean triangleSmoothBounds__SWIG_0(long jarg1, BoundsMatrix jarg1_, double jarg2)
public static final boolean triangleSmoothBounds__SWIG_1(long jarg1, BoundsMatrix jarg1_)
public static final boolean triangleSmoothBounds__SWIG_2(long jarg1, double jarg2)
public static final boolean triangleSmoothBounds__SWIG_3(long jarg1)
public static final void EmbedParameters_maxIterations_set(long jarg1, EmbedParameters jarg1_, long jarg2)
public static final long EmbedParameters_maxIterations_get(long jarg1, EmbedParameters jarg1_)
public static final void EmbedParameters_numThreads_set(long jarg1, EmbedParameters jarg1_, int jarg2)
public static final int EmbedParameters_numThreads_get(long jarg1, EmbedParameters jarg1_)
public static final void EmbedParameters_randomSeed_set(long jarg1, EmbedParameters jarg1_, int jarg2)
public static final int EmbedParameters_randomSeed_get(long jarg1, EmbedParameters jarg1_)
public static final void EmbedParameters_clearConfs_set(long jarg1, EmbedParameters jarg1_, boolean jarg2)
public static final boolean EmbedParameters_clearConfs_get(long jarg1, EmbedParameters jarg1_)
public static final void EmbedParameters_useRandomCoords_set(long jarg1, EmbedParameters jarg1_, boolean jarg2)
public static final boolean EmbedParameters_useRandomCoords_get(long jarg1, EmbedParameters jarg1_)
public static final void EmbedParameters_boxSizeMult_set(long jarg1, EmbedParameters jarg1_, double jarg2)
public static final double EmbedParameters_boxSizeMult_get(long jarg1, EmbedParameters jarg1_)
public static final void EmbedParameters_randNegEig_set(long jarg1, EmbedParameters jarg1_, boolean jarg2)
public static final boolean EmbedParameters_randNegEig_get(long jarg1, EmbedParameters jarg1_)
public static final void EmbedParameters_numZeroFail_set(long jarg1, EmbedParameters jarg1_, long jarg2)
public static final long EmbedParameters_numZeroFail_get(long jarg1, EmbedParameters jarg1_)
public static final void EmbedParameters_coordMap_set(long jarg1, EmbedParameters jarg1_, long jarg2, Int_Point3D_Map jarg2_)
public static final long EmbedParameters_coordMap_get(long jarg1, EmbedParameters jarg1_)
public static final void EmbedParameters_optimizerForceTol_set(long jarg1, EmbedParameters jarg1_, double jarg2)
public static final double EmbedParameters_optimizerForceTol_get(long jarg1, EmbedParameters jarg1_)
public static final void EmbedParameters_ignoreSmoothingFailures_set(long jarg1, EmbedParameters jarg1_, boolean jarg2)
public static final boolean EmbedParameters_ignoreSmoothingFailures_get(long jarg1, EmbedParameters jarg1_)
public static final void EmbedParameters_enforceChirality_set(long jarg1, EmbedParameters jarg1_, boolean jarg2)
public static final boolean EmbedParameters_enforceChirality_get(long jarg1, EmbedParameters jarg1_)
public static final void EmbedParameters_useExpTorsionAnglePrefs_set(long jarg1, EmbedParameters jarg1_, boolean jarg2)
public static final boolean EmbedParameters_useExpTorsionAnglePrefs_get(long jarg1, EmbedParameters jarg1_)
public static final void EmbedParameters_useBasicKnowledge_set(long jarg1, EmbedParameters jarg1_, boolean jarg2)
public static final boolean EmbedParameters_useBasicKnowledge_get(long jarg1, EmbedParameters jarg1_)
public static final void EmbedParameters_verbose_set(long jarg1, EmbedParameters jarg1_, boolean jarg2)
public static final boolean EmbedParameters_verbose_get(long jarg1, EmbedParameters jarg1_)
public static final void EmbedParameters_basinThresh_set(long jarg1, EmbedParameters jarg1_, double jarg2)
public static final double EmbedParameters_basinThresh_get(long jarg1, EmbedParameters jarg1_)
public static final void EmbedParameters_pruneRmsThresh_set(long jarg1, EmbedParameters jarg1_, double jarg2)
public static final double EmbedParameters_pruneRmsThresh_get(long jarg1, EmbedParameters jarg1_)
public static final void EmbedParameters_onlyHeavyAtomsForRMS_set(long jarg1, EmbedParameters jarg1_, boolean jarg2)
public static final boolean EmbedParameters_onlyHeavyAtomsForRMS_get(long jarg1, EmbedParameters jarg1_)
public static final void EmbedParameters_ETversion_set(long jarg1, EmbedParameters jarg1_, long jarg2)
public static final long EmbedParameters_ETversion_get(long jarg1, EmbedParameters jarg1_)
public static final void EmbedParameters_boundsMat_set(long jarg1, EmbedParameters jarg1_, long jarg2)
public static final long EmbedParameters_boundsMat_get(long jarg1, EmbedParameters jarg1_)
public static final void EmbedParameters_embedFragmentsSeparately_set(long jarg1, EmbedParameters jarg1_, boolean jarg2)
public static final boolean EmbedParameters_embedFragmentsSeparately_get(long jarg1, EmbedParameters jarg1_)
public static final long new_EmbedParameters__SWIG_0()
public static final long new_EmbedParameters__SWIG_1(long jarg1, int jarg2, int jarg3, boolean jarg4, boolean jarg5, double jarg6, boolean jarg7, long jarg8, long jarg9, Int_Point3D_Map jarg9_, double jarg10, boolean jarg11, boolean jarg12, boolean jarg13, boolean jarg14, boolean jarg15, double jarg16, double jarg17, boolean jarg18, long jarg19, long jarg20, BoundsMatrix jarg20_, boolean jarg21)
public static final long new_EmbedParameters__SWIG_2(long jarg1, int jarg2, int jarg3, boolean jarg4, boolean jarg5, double jarg6, boolean jarg7, long jarg8, long jarg9, Int_Point3D_Map jarg9_, double jarg10, boolean jarg11, boolean jarg12, boolean jarg13, boolean jarg14, boolean jarg15, double jarg16, double jarg17, boolean jarg18, long jarg19, long jarg20, BoundsMatrix jarg20_)
public static final long new_EmbedParameters__SWIG_3(long jarg1, int jarg2, int jarg3, boolean jarg4, boolean jarg5, double jarg6, boolean jarg7, long jarg8, long jarg9, Int_Point3D_Map jarg9_, double jarg10, boolean jarg11, boolean jarg12, boolean jarg13, boolean jarg14, boolean jarg15, double jarg16, double jarg17, boolean jarg18, long jarg19)
public static final long new_EmbedParameters__SWIG_4(long jarg1, int jarg2, int jarg3, boolean jarg4, boolean jarg5, double jarg6, boolean jarg7, long jarg8, long jarg9, Int_Point3D_Map jarg9_, double jarg10, boolean jarg11, boolean jarg12, boolean jarg13, boolean jarg14, boolean jarg15, double jarg16, double jarg17, boolean jarg18)
public static final long new_EmbedParameters__SWIG_5(long jarg1, EmbedParameters jarg1_)
public static final void delete_EmbedParameters(long jarg1)
public static final long getKDG()
public static final long getETDG()
public static final long getETKDG()
public static final long getETKDGv2()
public static final int DistanceGeom_EmbedMolecule__SWIG_0(long jarg1, ROMol jarg1_, long jarg2, int jarg3, boolean jarg4, boolean jarg5, double jarg6, boolean jarg7, long jarg8, long jarg9, Int_Point3D_Map jarg9_, double jarg10, boolean jarg11, boolean jarg12, boolean jarg13, boolean jarg14, boolean jarg15, double jarg16)
public static final int DistanceGeom_EmbedMolecule__SWIG_1(long jarg1, ROMol jarg1_, long jarg2, int jarg3, boolean jarg4, boolean jarg5, double jarg6, boolean jarg7, long jarg8, long jarg9, Int_Point3D_Map jarg9_, double jarg10, boolean jarg11, boolean jarg12, boolean jarg13, boolean jarg14, boolean jarg15)
public static final int DistanceGeom_EmbedMolecule__SWIG_2(long jarg1, ROMol jarg1_, long jarg2, int jarg3, boolean jarg4, boolean jarg5, double jarg6, boolean jarg7, long jarg8, long jarg9, Int_Point3D_Map jarg9_, double jarg10, boolean jarg11, boolean jarg12, boolean jarg13, boolean jarg14)
public static final int DistanceGeom_EmbedMolecule__SWIG_3(long jarg1, ROMol jarg1_, long jarg2, int jarg3, boolean jarg4, boolean jarg5, double jarg6, boolean jarg7, long jarg8, long jarg9, Int_Point3D_Map jarg9_, double jarg10, boolean jarg11, boolean jarg12, boolean jarg13)
public static final int DistanceGeom_EmbedMolecule__SWIG_4(long jarg1, ROMol jarg1_, long jarg2, int jarg3, boolean jarg4, boolean jarg5, double jarg6, boolean jarg7, long jarg8, long jarg9, Int_Point3D_Map jarg9_, double jarg10, boolean jarg11, boolean jarg12)
public static final int DistanceGeom_EmbedMolecule__SWIG_5(long jarg1, ROMol jarg1_, long jarg2, int jarg3, boolean jarg4, boolean jarg5, double jarg6, boolean jarg7, long jarg8, long jarg9, Int_Point3D_Map jarg9_, double jarg10, boolean jarg11)
public static final int DistanceGeom_EmbedMolecule__SWIG_6(long jarg1, ROMol jarg1_, long jarg2, int jarg3, boolean jarg4, boolean jarg5, double jarg6, boolean jarg7, long jarg8, long jarg9, Int_Point3D_Map jarg9_, double jarg10)
public static final int DistanceGeom_EmbedMolecule__SWIG_7(long jarg1, ROMol jarg1_, long jarg2, int jarg3, boolean jarg4, boolean jarg5, double jarg6, boolean jarg7, long jarg8, long jarg9, Int_Point3D_Map jarg9_)
public static final int DistanceGeom_EmbedMolecule__SWIG_8(long jarg1, ROMol jarg1_, long jarg2, int jarg3, boolean jarg4, boolean jarg5, double jarg6, boolean jarg7, long jarg8)
public static final int DistanceGeom_EmbedMolecule__SWIG_9(long jarg1, ROMol jarg1_, long jarg2, int jarg3, boolean jarg4, boolean jarg5, double jarg6, boolean jarg7)
public static final int DistanceGeom_EmbedMolecule__SWIG_10(long jarg1, ROMol jarg1_, long jarg2, int jarg3, boolean jarg4, boolean jarg5, double jarg6)
public static final int DistanceGeom_EmbedMolecule__SWIG_11(long jarg1, ROMol jarg1_, long jarg2, int jarg3, boolean jarg4, boolean jarg5)
public static final int DistanceGeom_EmbedMolecule__SWIG_12(long jarg1, ROMol jarg1_, long jarg2, int jarg3, boolean jarg4)
public static final int DistanceGeom_EmbedMolecule__SWIG_13(long jarg1, ROMol jarg1_, long jarg2, int jarg3)
public static final int DistanceGeom_EmbedMolecule__SWIG_14(long jarg1, ROMol jarg1_, long jarg2)
public static final int DistanceGeom_EmbedMolecule__SWIG_15(long jarg1, ROMol jarg1_)
public static final int DistanceGeom_EmbedMolecule__SWIG_16(long jarg1, ROMol jarg1_, long jarg2, EmbedParameters jarg2_)
public static final long DistanceGeom_EmbedMultipleConfs__SWIG_0(long jarg1, ROMol jarg1_, long jarg2, long jarg3, int jarg4, boolean jarg5, boolean jarg6, double jarg7, boolean jarg8, long jarg9, double jarg10, long jarg11, Int_Point3D_Map jarg11_, double jarg12, boolean jarg13, boolean jarg14, boolean jarg15, boolean jarg16, boolean jarg17, double jarg18)
public static final long DistanceGeom_EmbedMultipleConfs__SWIG_1(long jarg1, ROMol jarg1_, long jarg2, long jarg3, int jarg4, boolean jarg5, boolean jarg6, double jarg7, boolean jarg8, long jarg9, double jarg10, long jarg11, Int_Point3D_Map jarg11_, double jarg12, boolean jarg13, boolean jarg14, boolean jarg15, boolean jarg16, boolean jarg17)
public static final long DistanceGeom_EmbedMultipleConfs__SWIG_2(long jarg1, ROMol jarg1_, long jarg2, long jarg3, int jarg4, boolean jarg5, boolean jarg6, double jarg7, boolean jarg8, long jarg9, double jarg10, long jarg11, Int_Point3D_Map jarg11_, double jarg12, boolean jarg13, boolean jarg14, boolean jarg15, boolean jarg16)
public static final long DistanceGeom_EmbedMultipleConfs__SWIG_3(long jarg1, ROMol jarg1_, long jarg2, long jarg3, int jarg4, boolean jarg5, boolean jarg6, double jarg7, boolean jarg8, long jarg9, double jarg10, long jarg11, Int_Point3D_Map jarg11_, double jarg12, boolean jarg13, boolean jarg14, boolean jarg15)
public static final long DistanceGeom_EmbedMultipleConfs__SWIG_4(long jarg1, ROMol jarg1_, long jarg2, long jarg3, int jarg4, boolean jarg5, boolean jarg6, double jarg7, boolean jarg8, long jarg9, double jarg10, long jarg11, Int_Point3D_Map jarg11_, double jarg12, boolean jarg13, boolean jarg14)
public static final long DistanceGeom_EmbedMultipleConfs__SWIG_5(long jarg1, ROMol jarg1_, long jarg2, long jarg3, int jarg4, boolean jarg5, boolean jarg6, double jarg7, boolean jarg8, long jarg9, double jarg10, long jarg11, Int_Point3D_Map jarg11_, double jarg12, boolean jarg13)
public static final long DistanceGeom_EmbedMultipleConfs__SWIG_6(long jarg1, ROMol jarg1_, long jarg2, long jarg3, int jarg4, boolean jarg5, boolean jarg6, double jarg7, boolean jarg8, long jarg9, double jarg10, long jarg11, Int_Point3D_Map jarg11_, double jarg12)
public static final long DistanceGeom_EmbedMultipleConfs__SWIG_7(long jarg1, ROMol jarg1_, long jarg2, long jarg3, int jarg4, boolean jarg5, boolean jarg6, double jarg7, boolean jarg8, long jarg9, double jarg10, long jarg11, Int_Point3D_Map jarg11_)
public static final long DistanceGeom_EmbedMultipleConfs__SWIG_8(long jarg1, ROMol jarg1_, long jarg2, long jarg3, int jarg4, boolean jarg5, boolean jarg6, double jarg7, boolean jarg8, long jarg9, double jarg10)
public static final long DistanceGeom_EmbedMultipleConfs__SWIG_9(long jarg1, ROMol jarg1_, long jarg2, long jarg3, int jarg4, boolean jarg5, boolean jarg6, double jarg7, boolean jarg8, long jarg9)
public static final long DistanceGeom_EmbedMultipleConfs__SWIG_10(long jarg1, ROMol jarg1_, long jarg2, long jarg3, int jarg4, boolean jarg5, boolean jarg6, double jarg7, boolean jarg8)
public static final long DistanceGeom_EmbedMultipleConfs__SWIG_11(long jarg1, ROMol jarg1_, long jarg2, long jarg3, int jarg4, boolean jarg5, boolean jarg6, double jarg7)
public static final long DistanceGeom_EmbedMultipleConfs__SWIG_12(long jarg1, ROMol jarg1_, long jarg2, long jarg3, int jarg4, boolean jarg5, boolean jarg6)
public static final long DistanceGeom_EmbedMultipleConfs__SWIG_13(long jarg1, ROMol jarg1_, long jarg2, long jarg3, int jarg4, boolean jarg5)
public static final long DistanceGeom_EmbedMultipleConfs__SWIG_14(long jarg1, ROMol jarg1_, long jarg2, long jarg3, int jarg4)
public static final long DistanceGeom_EmbedMultipleConfs__SWIG_15(long jarg1, ROMol jarg1_, long jarg2, long jarg3)
public static final long DistanceGeom_EmbedMultipleConfs__SWIG_16(long jarg1, ROMol jarg1_, long jarg2)
public static final long DistanceGeom_EmbedMultipleConfs__SWIG_17(long jarg1, ROMol jarg1_)
public static final long DistanceGeom_EmbedMultipleConfs__SWIG_18(long jarg1, ROMol jarg1_, long jarg2, long jarg3, EmbedParameters jarg3_)
public static final void DistanceGeom_SetTopolBounds__SWIG_0(long jarg1, ROMol jarg1_, long jarg2, BoundsMatrix jarg2_, boolean jarg3, boolean jarg4)
public static final void DistanceGeom_SetTopolBounds__SWIG_1(long jarg1, ROMol jarg1_, long jarg2, BoundsMatrix jarg2_, boolean jarg3)
public static final void DistanceGeom_SetTopolBounds__SWIG_2(long jarg1, ROMol jarg1_, long jarg2, BoundsMatrix jarg2_)
public static final long DistanceGeom_ConstructForceField__SWIG_0(long jarg1, BoundsMatrix jarg1_, long jarg2, Point_Vect jarg2_, long jarg3, double jarg4, double jarg5, long jarg6, double jarg7)
public static final long DistanceGeom_ConstructForceField__SWIG_1(long jarg1, BoundsMatrix jarg1_, long jarg2, Point_Vect jarg2_, long jarg3, double jarg4, double jarg5, long jarg6)
public static final long DistanceGeom_ConstructForceField__SWIG_2(long jarg1, BoundsMatrix jarg1_, long jarg2, Point_Vect jarg2_, long jarg3, double jarg4, double jarg5)
public static final long DistanceGeom_ConstructForceField__SWIG_3(long jarg1, BoundsMatrix jarg1_, long jarg2, Point_Vect jarg2_, long jarg3, double jarg4)
public static final long DistanceGeom_ConstructForceField__SWIG_4(long jarg1, BoundsMatrix jarg1_, long jarg2, Point_Vect jarg2_, long jarg3)
public static final boolean DistanceGeom_ComputeInitialCoords__SWIG_0(long jarg1, DoubleSymmMatrix jarg1_, long jarg2, Point3D_Vect jarg2_, boolean jarg3, long jarg4)
public static final boolean DistanceGeom_ComputeInitialCoords__SWIG_1(long jarg1, DoubleSymmMatrix jarg1_, long jarg2, Point3D_Vect jarg2_, boolean jarg3)
public static final boolean DistanceGeom_ComputeInitialCoords__SWIG_2(long jarg1, DoubleSymmMatrix jarg1_, long jarg2, Point3D_Vect jarg2_)
public static final long new_DistanceGeom()
public static final void delete_DistanceGeom(long jarg1)
public static final void normalizeAngleDeg(long jarg1)
public static final void computeDihedral__SWIG_0(long jarg1, Point_Vect jarg1_, long jarg2, long jarg3, long jarg4, long jarg5, long jarg6, long jarg7, long jarg8, Point3D jarg8_, long jarg9, Point3D jarg9_, long jarg10)
public static final void computeDihedral__SWIG_1(long jarg1, Point_Vect jarg1_, long jarg2, long jarg3, long jarg4, long jarg5, long jarg6, long jarg7, long jarg8, Point3D jarg8_, long jarg9, Point3D jarg9_)
public static final void computeDihedral__SWIG_2(long jarg1, Point_Vect jarg1_, long jarg2, long jarg3, long jarg4, long jarg5, long jarg6, long jarg7, long jarg8, Point3D jarg8_)
public static final void computeDihedral__SWIG_3(long jarg1, Point_Vect jarg1_, long jarg2, long jarg3, long jarg4, long jarg5, long jarg6, long jarg7)
public static final void computeDihedral__SWIG_4(long jarg1, Point_Vect jarg1_, long jarg2, long jarg3, long jarg4, long jarg5, long jarg6)
public static final void computeDihedral__SWIG_5(long jarg1, Point_Vect jarg1_, long jarg2, long jarg3, long jarg4, long jarg5)
public static final void computeDihedral__SWIG_6(long jarg1, long jarg2, long jarg3, long jarg4, long jarg5, long jarg6, long jarg7, long jarg8, Point3D jarg8_, long jarg9, Point3D jarg9_, long jarg10)
public static final void computeDihedral__SWIG_7(long jarg1, long jarg2, long jarg3, long jarg4, long jarg5, long jarg6, long jarg7, long jarg8, Point3D jarg8_, long jarg9, Point3D jarg9_)
public static final void computeDihedral__SWIG_8(long jarg1, long jarg2, long jarg3, long jarg4, long jarg5, long jarg6, long jarg7, long jarg8, Point3D jarg8_)
public static final void computeDihedral__SWIG_9(long jarg1, long jarg2, long jarg3, long jarg4, long jarg5, long jarg6, long jarg7)
public static final void computeDihedral__SWIG_10(long jarg1, long jarg2, long jarg3, long jarg4, long jarg5, long jarg6)
public static final void computeDihedral__SWIG_11(long jarg1, long jarg2, long jarg3, long jarg4, long jarg5)
public static final void computeDihedral__SWIG_12(long jarg1, Point3D jarg1_, long jarg2, Point3D jarg2_, long jarg3, Point3D jarg3_, long jarg4, Point3D jarg4_, long jarg5, long jarg6, long jarg7, Point3D jarg7_, long jarg8, Point3D jarg8_, long jarg9)
public static final void computeDihedral__SWIG_13(long jarg1, Point3D jarg1_, long jarg2, Point3D jarg2_, long jarg3, Point3D jarg3_, long jarg4, Point3D jarg4_, long jarg5, long jarg6, long jarg7, Point3D jarg7_, long jarg8, Point3D jarg8_)
public static final void computeDihedral__SWIG_14(long jarg1, Point3D jarg1_, long jarg2, Point3D jarg2_, long jarg3, Point3D jarg3_, long jarg4, Point3D jarg4_, long jarg5, long jarg6, long jarg7, Point3D jarg7_)
public static final void computeDihedral__SWIG_15(long jarg1, Point3D jarg1_, long jarg2, Point3D jarg2_, long jarg3, Point3D jarg3_, long jarg4, Point3D jarg4_, long jarg5, long jarg6)
public static final void computeDihedral__SWIG_16(long jarg1, Point3D jarg1_, long jarg2, Point3D jarg2_, long jarg3, Point3D jarg3_, long jarg4, Point3D jarg4_, long jarg5)
public static final void computeDihedral__SWIG_17(long jarg1, Point3D jarg1_, long jarg2, Point3D jarg2_, long jarg3, Point3D jarg3_, long jarg4, Point3D jarg4_)
public static final long new_ForceField__SWIG_0(long jarg1)
public static final long new_ForceField__SWIG_1()
public static final void delete_ForceField(long jarg1)
public static final long new_ForceField__SWIG_2(long jarg1, ForceField jarg1_)
public static final void ForceField_initialize(long jarg1, ForceField jarg1_)
public static final double ForceField_calcEnergy__SWIG_0(long jarg1, ForceField jarg1_, long jarg2, Double_Vect jarg2_)
public static final double ForceField_calcEnergy__SWIG_1(long jarg1, ForceField jarg1_)
public static final double ForceField_calcEnergy__SWIG_2(long jarg1, ForceField jarg1_, long jarg2)
public static final void ForceField_calcGrad__SWIG_0(long jarg1, ForceField jarg1_, long jarg2)
public static final void ForceField_calcGrad__SWIG_1(long jarg1, ForceField jarg1_, long jarg2, long jarg3)
public static final int ForceField_minimize__SWIG_0(long jarg1, ForceField jarg1_, long jarg2, long jarg3, long jarg4, double jarg5, double jarg6)
public static final int ForceField_minimize__SWIG_1(long jarg1, ForceField jarg1_, long jarg2, long jarg3, long jarg4, double jarg5)
public static final int ForceField_minimize__SWIG_2(long jarg1, ForceField jarg1_, long jarg2, long jarg3, long jarg4)
public static final int ForceField_minimize__SWIG_3(long jarg1, ForceField jarg1_, long jarg2, long jarg3)
public static final int ForceField_minimize__SWIG_4(long jarg1, ForceField jarg1_, long jarg2, double jarg3, double jarg4)
public static final int ForceField_minimize__SWIG_5(long jarg1, ForceField jarg1_, long jarg2, double jarg3)
public static final int ForceField_minimize__SWIG_6(long jarg1, ForceField jarg1_, long jarg2)
public static final int ForceField_minimize__SWIG_7(long jarg1, ForceField jarg1_)
public static final long ForceField_contribs__SWIG_0(long jarg1, ForceField jarg1_)
public static final double ForceField_distance__SWIG_0(long jarg1, ForceField jarg1_, long jarg2, long jarg3, long jarg4)
public static final double ForceField_distance__SWIG_1(long jarg1, ForceField jarg1_, long jarg2, long jarg3)
public static final long ForceField_dimension(long jarg1, ForceField jarg1_)
public static final long ForceField_numPoints(long jarg1, ForceField jarg1_)
public static final long ForceField_fixedPoints__SWIG_0(long jarg1, ForceField jarg1_)
public static final long ForceField_positions3D(long jarg1, ForceField jarg1_)
public static final int ForceField_UFFOptimizeMolecule__SWIG_0(long jarg1, ROMol jarg1_, int jarg2, double jarg3, int jarg4, boolean jarg5)
public static final int ForceField_UFFOptimizeMolecule__SWIG_1(long jarg1, ROMol jarg1_, int jarg2, double jarg3, int jarg4)
public static final int ForceField_UFFOptimizeMolecule__SWIG_2(long jarg1, ROMol jarg1_, int jarg2, double jarg3)
public static final int ForceField_UFFOptimizeMolecule__SWIG_3(long jarg1, ROMol jarg1_, int jarg2)
public static final int ForceField_UFFOptimizeMolecule__SWIG_4(long jarg1, ROMol jarg1_)
public static final long ForceField_UFFGetMoleculeForceField__SWIG_0(long jarg1, ROMol jarg1_, double jarg2, int jarg3, boolean jarg4)
public static final long ForceField_UFFGetMoleculeForceField__SWIG_1(long jarg1, ROMol jarg1_, double jarg2, int jarg3)
public static final long ForceField_UFFGetMoleculeForceField__SWIG_2(long jarg1, ROMol jarg1_, double jarg2)
public static final long ForceField_UFFGetMoleculeForceField__SWIG_3(long jarg1, ROMol jarg1_)
public static final boolean ForceField_UFFHasAllMoleculeParams(long jarg1, ROMol jarg1_)
public static final void ForceField_UFFAddAtomChargeFlags__SWIG_0(long jarg1, Atom jarg1_, long jarg2, boolean jarg3)
public static final void ForceField_UFFAddAtomChargeFlags__SWIG_1(long jarg1, Atom jarg1_, long jarg2)
public static final java.lang.String ForceField_UFFGetAtomLabel(long jarg1, Atom jarg1_)
public static final long ForceField_UFFGetAtomTypes__SWIG_0(long jarg1, ROMol jarg1_, java.lang.String jarg2)
public static final long ForceField_UFFGetAtomTypes__SWIG_1(long jarg1, ROMol jarg1_)
public static final int ForceField_MMFFOptimizeMolecule__SWIG_0(long jarg1, ROMol jarg1_, java.lang.String jarg2, int jarg3, double jarg4, int jarg5, boolean jarg6)
public static final int ForceField_MMFFOptimizeMolecule__SWIG_1(long jarg1, ROMol jarg1_, java.lang.String jarg2, int jarg3, double jarg4, int jarg5)
public static final int ForceField_MMFFOptimizeMolecule__SWIG_2(long jarg1, ROMol jarg1_, java.lang.String jarg2, int jarg3, double jarg4)
public static final int ForceField_MMFFOptimizeMolecule__SWIG_3(long jarg1, ROMol jarg1_, java.lang.String jarg2, int jarg3)
public static final int ForceField_MMFFOptimizeMolecule__SWIG_4(long jarg1, ROMol jarg1_, java.lang.String jarg2)
public static final int ForceField_MMFFOptimizeMolecule__SWIG_5(long jarg1, ROMol jarg1_)
public static final long ForceField_MMFFGetMoleculeForceField__SWIG_0(long jarg1, ROMol jarg1_, java.lang.String jarg2, double jarg3, int jarg4, boolean jarg5)
public static final long ForceField_MMFFGetMoleculeForceField__SWIG_1(long jarg1, ROMol jarg1_, java.lang.String jarg2, double jarg3, int jarg4)
public static final long ForceField_MMFFGetMoleculeForceField__SWIG_2(long jarg1, ROMol jarg1_, java.lang.String jarg2, double jarg3)
public static final long ForceField_MMFFGetMoleculeForceField__SWIG_3(long jarg1, ROMol jarg1_, java.lang.String jarg2)
public static final long ForceField_MMFFGetMoleculeForceField__SWIG_4(long jarg1, ROMol jarg1_)
public static final boolean ForceField_MMFFHasAllMoleculeParams(long jarg1, ROMol jarg1_)
public static final void delete_ForceFieldContrib(long jarg1)
public static final double ForceFieldContrib_getEnergy(long jarg1, ForceFieldContrib jarg1_, long jarg2)
public static final void ForceFieldContrib_getGrad(long jarg1, ForceFieldContrib jarg1_, long jarg2, long jarg3)
public static final long ForceFieldContrib_copy(long jarg1, ForceFieldContrib jarg1_)
public static final double DEG2RAD_get()
public static final double RAD2DEG_get()
public static final boolean isDoubleZero(double jarg1)
public static final void clipToOne(long jarg1)
public static final void UFFBond_kb_set(long jarg1, UFFBond jarg1_, double jarg2)
public static final double UFFBond_kb_get(long jarg1, UFFBond jarg1_)
public static final void UFFBond_r0_set(long jarg1, UFFBond jarg1_, double jarg2)
public static final double UFFBond_r0_get(long jarg1, UFFBond jarg1_)
public static final long new_UFFBond()
public static final void delete_UFFBond(long jarg1)
public static final void UFFAngle_ka_set(long jarg1, UFFAngle jarg1_, double jarg2)
public static final double UFFAngle_ka_get(long jarg1, UFFAngle jarg1_)
public static final void UFFAngle_theta0_set(long jarg1, UFFAngle jarg1_, double jarg2)
public static final double UFFAngle_theta0_get(long jarg1, UFFAngle jarg1_)
public static final long new_UFFAngle()
public static final void delete_UFFAngle(long jarg1)
public static final void UFFTor_V_set(long jarg1, UFFTor jarg1_, double jarg2)
public static final double UFFTor_V_get(long jarg1, UFFTor jarg1_)
public static final long new_UFFTor()
public static final void delete_UFFTor(long jarg1)
public static final void UFFInv_K_set(long jarg1, UFFInv jarg1_, double jarg2)
public static final double UFFInv_K_get(long jarg1, UFFInv jarg1_)
public static final long new_UFFInv()
public static final void delete_UFFInv(long jarg1)
public static final void UFFVdW_x_ij_set(long jarg1, UFFVdW jarg1_, double jarg2)
public static final double UFFVdW_x_ij_get(long jarg1, UFFVdW jarg1_)
public static final void UFFVdW_D_ij_set(long jarg1, UFFVdW jarg1_, double jarg2)
public static final double UFFVdW_D_ij_get(long jarg1, UFFVdW jarg1_)
public static final long new_UFFVdW()
public static final void delete_UFFVdW(long jarg1)
public static final void AtomicParams_r1_set(long jarg1, AtomicParams jarg1_, double jarg2)
public static final double AtomicParams_r1_get(long jarg1, AtomicParams jarg1_)
public static final void AtomicParams_theta0_set(long jarg1, AtomicParams jarg1_, double jarg2)
public static final double AtomicParams_theta0_get(long jarg1, AtomicParams jarg1_)
public static final void AtomicParams_x1_set(long jarg1, AtomicParams jarg1_, double jarg2)
public static final double AtomicParams_x1_get(long jarg1, AtomicParams jarg1_)
public static final void AtomicParams_D1_set(long jarg1, AtomicParams jarg1_, double jarg2)
public static final double AtomicParams_D1_get(long jarg1, AtomicParams jarg1_)
public static final void AtomicParams_zeta_set(long jarg1, AtomicParams jarg1_, double jarg2)
public static final double AtomicParams_zeta_get(long jarg1, AtomicParams jarg1_)
public static final void AtomicParams_Z1_set(long jarg1, AtomicParams jarg1_, double jarg2)
public static final double AtomicParams_Z1_get(long jarg1, AtomicParams jarg1_)
public static final void AtomicParams_V1_set(long jarg1, AtomicParams jarg1_, double jarg2)
public static final double AtomicParams_V1_get(long jarg1, AtomicParams jarg1_)
public static final void AtomicParams_U1_set(long jarg1, AtomicParams jarg1_, double jarg2)
public static final double AtomicParams_U1_get(long jarg1, AtomicParams jarg1_)
public static final void AtomicParams_GMP_Xi_set(long jarg1, AtomicParams jarg1_, double jarg2)
public static final double AtomicParams_GMP_Xi_get(long jarg1, AtomicParams jarg1_)
public static final void AtomicParams_GMP_Hardness_set(long jarg1, AtomicParams jarg1_, double jarg2)
public static final double AtomicParams_GMP_Hardness_get(long jarg1, AtomicParams jarg1_)
public static final void AtomicParams_GMP_Radius_set(long jarg1, AtomicParams jarg1_, double jarg2)
public static final double AtomicParams_GMP_Radius_get(long jarg1, AtomicParams jarg1_)
public static final long new_AtomicParams()
public static final void delete_AtomicParams(long jarg1)
public static final double lambda_get()
public static final double G_get()
public static final double amideBondOrder_get()
public static final long ParamCollection_getParams__SWIG_0(java.lang.String jarg1)
public static final long ParamCollection_getParams__SWIG_1()
public static final long ParamCollection_get(long jarg1, ParamCollection jarg1_, java.lang.String jarg2)
public static final void delete_ParamCollection(long jarg1)
public static final long new_AngleBendContrib__SWIG_0()
public static final long new_AngleBendContrib__SWIG_1(long jarg1, ForceField jarg1_, long jarg2, long jarg3, long jarg4, double jarg5, double jarg6, long jarg7, AtomicParams jarg7_, long jarg8, AtomicParams jarg8_, long jarg9, AtomicParams jarg9_, long jarg10)
public static final long new_AngleBendContrib__SWIG_2(long jarg1, ForceField jarg1_, long jarg2, long jarg3, long jarg4, double jarg5, double jarg6, long jarg7, AtomicParams jarg7_, long jarg8, AtomicParams jarg8_, long jarg9, AtomicParams jarg9_)
public static final double AngleBendContrib_getEnergy(long jarg1, AngleBendContrib jarg1_, long jarg2)
public static final void AngleBendContrib_getGrad(long jarg1, AngleBendContrib jarg1_, long jarg2, long jarg3)
public static final long AngleBendContrib_copy(long jarg1, AngleBendContrib jarg1_)
public static final void delete_AngleBendContrib(long jarg1)
public static final double calcAngleForceConstant(double jarg1, double jarg2, double jarg3, long jarg4, AtomicParams jarg4_, long jarg5, AtomicParams jarg5_, long jarg6, AtomicParams jarg6_)
public static final void calcAngleBendGrad(long jarg1, Point3D jarg1_, long jarg2, long jarg3, long jarg4, long jarg5, long jarg6)
public static final long new_BondStretchContrib__SWIG_0()
public static final long new_BondStretchContrib__SWIG_1(long jarg1, ForceField jarg1_, long jarg2, long jarg3, double jarg4, long jarg5, AtomicParams jarg5_, long jarg6, AtomicParams jarg6_)
public static final double BondStretchContrib_getEnergy(long jarg1, BondStretchContrib jarg1_, long jarg2)
public static final void BondStretchContrib_getGrad(long jarg1, BondStretchContrib jarg1_, long jarg2, long jarg3)
public static final long BondStretchContrib_copy(long jarg1, BondStretchContrib jarg1_)
public static final void delete_BondStretchContrib(long jarg1)
public static final double calcBondRestLength(double jarg1, long jarg2, AtomicParams jarg2_, long jarg3, AtomicParams jarg3_)
public static final double calcBondForceConstant(double jarg1, long jarg2, AtomicParams jarg2_, long jarg3, AtomicParams jarg3_)
public static final long new_DistanceConstraintContrib__SWIG_0()
public static final long new_DistanceConstraintContrib__SWIG_1(long jarg1, ForceField jarg1_, long jarg2, long jarg3, double jarg4, double jarg5, double jarg6)
public static final long new_DistanceConstraintContrib__SWIG_2(long jarg1, ForceField jarg1_, long jarg2, long jarg3, boolean jarg4, double jarg5, double jarg6, double jarg7)
public static final void delete_DistanceConstraintContrib(long jarg1)
public static final double DistanceConstraintContrib_getEnergy(long jarg1, DistanceConstraintContrib jarg1_, long jarg2)
public static final void DistanceConstraintContrib_getGrad(long jarg1, DistanceConstraintContrib jarg1_, long jarg2, long jarg3)
public static final long DistanceConstraintContrib_copy(long jarg1, DistanceConstraintContrib jarg1_)
public static final long new_vdWContrib__SWIG_0()
public static final long new_vdWContrib__SWIG_1(long jarg1, ForceField jarg1_, long jarg2, long jarg3, long jarg4, AtomicParams jarg4_, long jarg5, AtomicParams jarg5_, double jarg6)
public static final long new_vdWContrib__SWIG_2(long jarg1, ForceField jarg1_, long jarg2, long jarg3, long jarg4, AtomicParams jarg4_, long jarg5, AtomicParams jarg5_)
public static final double vdWContrib_getEnergy(long jarg1, vdWContrib jarg1_, long jarg2)
public static final void vdWContrib_getGrad(long jarg1, vdWContrib jarg1_, long jarg2, long jarg3)
public static final long vdWContrib_copy(long jarg1, vdWContrib jarg1_)
public static final void delete_vdWContrib(long jarg1)
public static final double calcNonbondedMinimum(long jarg1, AtomicParams jarg1_, long jarg2, AtomicParams jarg2_)
public static final double calcNonbondedDepth(long jarg1, AtomicParams jarg1_, long jarg2, AtomicParams jarg2_)
public static final long new_TorsionAngleContrib__SWIG_0()
public static final long new_TorsionAngleContrib__SWIG_1(long jarg1, ForceField jarg1_, long jarg2, long jarg3, long jarg4, long jarg5, double jarg6, int jarg7, int jarg8, int jarg9, int jarg10, long jarg11, AtomicParams jarg11_, long jarg12, AtomicParams jarg12_, boolean jarg13)
public static final long new_TorsionAngleContrib__SWIG_2(long jarg1, ForceField jarg1_, long jarg2, long jarg3, long jarg4, long jarg5, double jarg6, int jarg7, int jarg8, int jarg9, int jarg10, long jarg11, AtomicParams jarg11_, long jarg12, AtomicParams jarg12_)
public static final double TorsionAngleContrib_getEnergy(long jarg1, TorsionAngleContrib jarg1_, long jarg2)
public static final void TorsionAngleContrib_getGrad(long jarg1, TorsionAngleContrib jarg1_, long jarg2, long jarg3)
public static final void TorsionAngleContrib_scaleForceConstant(long jarg1, TorsionAngleContrib jarg1_, long jarg2)
public static final long TorsionAngleContrib_copy(long jarg1, TorsionAngleContrib jarg1_)
public static final void delete_TorsionAngleContrib(long jarg1)
public static final double calculateCosTorsion(long jarg1, Point3D jarg1_, long jarg2, Point3D jarg2_, long jarg3, Point3D jarg3_, long jarg4, Point3D jarg4_)
public static final void calcTorsionGrad(long jarg1, Point3D jarg1_, long jarg2, Point3D jarg2_, long jarg3, long jarg4, long jarg5, long jarg6)
public static final double equation17(double jarg1, long jarg2, AtomicParams jarg2_, long jarg3, AtomicParams jarg3_)
public static final boolean isInGroup6(int jarg1)
public static final long new_InversionContrib__SWIG_0()
public static final long new_InversionContrib__SWIG_1(long jarg1, ForceField jarg1_, long jarg2, long jarg3, long jarg4, long jarg5, int jarg6, boolean jarg7, double jarg8)
public static final long new_InversionContrib__SWIG_2(long jarg1, ForceField jarg1_, long jarg2, long jarg3, long jarg4, long jarg5, int jarg6, boolean jarg7)
public static final double InversionContrib_getEnergy(long jarg1, InversionContrib jarg1_, long jarg2)
public static final void InversionContrib_getGrad(long jarg1, InversionContrib jarg1_, long jarg2, long jarg3)
public static final long InversionContrib_copy(long jarg1, InversionContrib jarg1_)
public static final void delete_InversionContrib(long jarg1)
public static final double calculateCosY(long jarg1, Point3D jarg1_, long jarg2, Point3D jarg2_, long jarg3, Point3D jarg3_, long jarg4, Point3D jarg4_)
public static final long calcInversionCoefficientsAndForceConstant(int jarg1, boolean jarg2)
public static final long new_FF_Contrib_Vect__SWIG_0()
public static final long new_FF_Contrib_Vect__SWIG_1(long jarg1)
public static final long FF_Contrib_Vect_size(long jarg1, FF_Contrib_Vect jarg1_)
public static final long FF_Contrib_Vect_capacity(long jarg1, FF_Contrib_Vect jarg1_)
public static final void FF_Contrib_Vect_reserve(long jarg1, FF_Contrib_Vect jarg1_, long jarg2)
public static final boolean FF_Contrib_Vect_isEmpty(long jarg1, FF_Contrib_Vect jarg1_)
public static final void FF_Contrib_Vect_clear(long jarg1, FF_Contrib_Vect jarg1_)
public static final void FF_Contrib_Vect_add(long jarg1, FF_Contrib_Vect jarg1_, long jarg2, ForceFieldContrib jarg2_)
public static final long FF_Contrib_Vect_get(long jarg1, FF_Contrib_Vect jarg1_, int jarg2)
public static final void FF_Contrib_Vect_set(long jarg1, FF_Contrib_Vect jarg1_, int jarg2, long jarg3, ForceFieldContrib jarg3_)
public static final boolean FF_Contrib_Vect_equals(long jarg1, FF_Contrib_Vect jarg1_, long jarg2, FF_Contrib_Vect jarg2_)
public static final void delete_FF_Contrib_Vect(long jarg1)
public static final long new_StringMolMap__SWIG_0()
public static final long new_StringMolMap__SWIG_1(long jarg1, StringMolMap jarg1_)
public static final long StringMolMap_size(long jarg1, StringMolMap jarg1_)
public static final boolean StringMolMap_empty(long jarg1, StringMolMap jarg1_)
public static final void StringMolMap_clear(long jarg1, StringMolMap jarg1_)
public static final long StringMolMap_get(long jarg1, StringMolMap jarg1_, java.lang.String jarg2)
public static final void StringMolMap_set(long jarg1, StringMolMap jarg1_, java.lang.String jarg2, long jarg3, ROMol jarg3_)
public static final void StringMolMap_del(long jarg1, StringMolMap jarg1_, java.lang.String jarg2)
public static final boolean StringMolMap_has_key(long jarg1, StringMolMap jarg1_, java.lang.String jarg2)
public static final void delete_StringMolMap(long jarg1)
public static final long deleteSubstructs__SWIG_0(long jarg1, ROMol jarg1_, long jarg2, ROMol jarg2_, boolean jarg3, boolean jarg4)
public static final long deleteSubstructs__SWIG_1(long jarg1, ROMol jarg1_, long jarg2, ROMol jarg2_, boolean jarg3)
public static final long deleteSubstructs__SWIG_2(long jarg1, ROMol jarg1_, long jarg2, ROMol jarg2_)
public static final long replaceSubstructs__SWIG_0(long jarg1, ROMol jarg1_, long jarg2, ROMol jarg2_, long jarg3, ROMol jarg3_, boolean jarg4, long jarg5, boolean jarg6)
public static final long replaceSubstructs__SWIG_1(long jarg1, ROMol jarg1_, long jarg2, ROMol jarg2_, long jarg3, ROMol jarg3_, boolean jarg4, long jarg5)
public static final long replaceSubstructs__SWIG_2(long jarg1, ROMol jarg1_, long jarg2, ROMol jarg2_, long jarg3, ROMol jarg3_, boolean jarg4)
public static final long replaceSubstructs__SWIG_3(long jarg1, ROMol jarg1_, long jarg2, ROMol jarg2_, long jarg3, ROMol jarg3_)
public static final long replaceSidechains__SWIG_0(long jarg1, ROMol jarg1_, long jarg2, ROMol jarg2_, boolean jarg3)
public static final long replaceSidechains__SWIG_1(long jarg1, ROMol jarg1_, long jarg2, ROMol jarg2_)
public static final long replaceCore__SWIG_0(long jarg1, ROMol jarg1_, long jarg2, ROMol jarg2_, long jarg3, Match_Vect jarg3_, boolean jarg4, boolean jarg5, boolean jarg6)
public static final long replaceCore__SWIG_1(long jarg1, ROMol jarg1_, long jarg2, ROMol jarg2_, long jarg3, Match_Vect jarg3_, boolean jarg4, boolean jarg5)
public static final long replaceCore__SWIG_2(long jarg1, ROMol jarg1_, long jarg2, ROMol jarg2_, long jarg3, Match_Vect jarg3_, boolean jarg4)
public static final long replaceCore__SWIG_3(long jarg1, ROMol jarg1_, long jarg2, ROMol jarg2_, long jarg3, Match_Vect jarg3_)
public static final long replaceCore__SWIG_4(long jarg1, ROMol jarg1_, long jarg2, ROMol jarg2_, boolean jarg3, boolean jarg4, boolean jarg5, boolean jarg6)
public static final long replaceCore__SWIG_5(long jarg1, ROMol jarg1_, long jarg2, ROMol jarg2_, boolean jarg3, boolean jarg4, boolean jarg5)
public static final long replaceCore__SWIG_6(long jarg1, ROMol jarg1_, long jarg2, ROMol jarg2_, boolean jarg3, boolean jarg4)
public static final long replaceCore__SWIG_7(long jarg1, ROMol jarg1_, long jarg2, ROMol jarg2_, boolean jarg3)
public static final long replaceCore__SWIG_8(long jarg1, ROMol jarg1_, long jarg2, ROMol jarg2_)
public static final long MurckoDecompose(long jarg1, ROMol jarg1_)
public static final long combineMols__SWIG_0(long jarg1, ROMol jarg1_, long jarg2, ROMol jarg2_, long jarg3, Point3D jarg3_)
public static final long combineMols__SWIG_1(long jarg1, ROMol jarg1_, long jarg2, ROMol jarg2_)
public static final void addRecursiveQueries__SWIG_0(long jarg1, ROMol jarg1_, long jarg2, StringMolMap jarg2_, java.lang.String jarg3, long jarg4)
public static final void addRecursiveQueries__SWIG_1(long jarg1, ROMol jarg1_, long jarg2, StringMolMap jarg2_, java.lang.String jarg3)
public static final void parseQueryDefFile__SWIG_0(java.lang.String jarg1, long jarg2, StringMolMap jarg2_, boolean jarg3, java.lang.String jarg4, java.lang.String jarg5, long jarg6, long jarg7)
public static final void parseQueryDefFile__SWIG_1(java.lang.String jarg1, long jarg2, StringMolMap jarg2_, boolean jarg3, java.lang.String jarg4, java.lang.String jarg5, long jarg6)
public static final void parseQueryDefFile__SWIG_2(java.lang.String jarg1, long jarg2, StringMolMap jarg2_, boolean jarg3, java.lang.String jarg4, java.lang.String jarg5)
public static final void parseQueryDefFile__SWIG_3(java.lang.String jarg1, long jarg2, StringMolMap jarg2_, boolean jarg3, java.lang.String jarg4)
public static final void parseQueryDefFile__SWIG_4(java.lang.String jarg1, long jarg2, StringMolMap jarg2_, boolean jarg3)
public static final void parseQueryDefFile__SWIG_5(java.lang.String jarg1, long jarg2, StringMolMap jarg2_)
public static final void parseQueryDefFile__SWIG_6(long jarg1, long jarg2, StringMolMap jarg2_, boolean jarg3, java.lang.String jarg4, java.lang.String jarg5, long jarg6, long jarg7)
public static final void parseQueryDefFile__SWIG_7(long jarg1, long jarg2, StringMolMap jarg2_, boolean jarg3, java.lang.String jarg4, java.lang.String jarg5, long jarg6)
public static final void parseQueryDefFile__SWIG_8(long jarg1, long jarg2, StringMolMap jarg2_, boolean jarg3, java.lang.String jarg4, java.lang.String jarg5)
public static final void parseQueryDefFile__SWIG_9(long jarg1, long jarg2, StringMolMap jarg2_, boolean jarg3, java.lang.String jarg4)
public static final void parseQueryDefFile__SWIG_10(long jarg1, long jarg2, StringMolMap jarg2_, boolean jarg3)
public static final void parseQueryDefFile__SWIG_11(long jarg1, long jarg2, StringMolMap jarg2_)
public static final void parseQueryDefText__SWIG_0(java.lang.String jarg1, long jarg2, StringMolMap jarg2_, boolean jarg3, java.lang.String jarg4, java.lang.String jarg5, long jarg6, long jarg7)
public static final void parseQueryDefText__SWIG_1(java.lang.String jarg1, long jarg2, StringMolMap jarg2_, boolean jarg3, java.lang.String jarg4, java.lang.String jarg5, long jarg6)
public static final void parseQueryDefText__SWIG_2(java.lang.String jarg1, long jarg2, StringMolMap jarg2_, boolean jarg3, java.lang.String jarg4, java.lang.String jarg5)
public static final void parseQueryDefText__SWIG_3(java.lang.String jarg1, long jarg2, StringMolMap jarg2_, boolean jarg3, java.lang.String jarg4)
public static final void parseQueryDefText__SWIG_4(java.lang.String jarg1, long jarg2, StringMolMap jarg2_, boolean jarg3)
public static final void parseQueryDefText__SWIG_5(java.lang.String jarg1, long jarg2, StringMolMap jarg2_)
public static final long new_UIntMolMap__SWIG_0()
public static final long new_UIntMolMap__SWIG_1(long jarg1, UIntMolMap jarg1_)
public static final long UIntMolMap_size(long jarg1, UIntMolMap jarg1_)
public static final boolean UIntMolMap_empty(long jarg1, UIntMolMap jarg1_)
public static final void UIntMolMap_clear(long jarg1, UIntMolMap jarg1_)
public static final long UIntMolMap_get(long jarg1, UIntMolMap jarg1_, long jarg2)
public static final void UIntMolMap_set(long jarg1, UIntMolMap jarg1_, long jarg2, long jarg3, ROMol jarg3_)
public static final void UIntMolMap_del(long jarg1, UIntMolMap jarg1_, long jarg2)
public static final boolean UIntMolMap_has_key(long jarg1, UIntMolMap jarg1_, long jarg2)
public static final void delete_UIntMolMap(long jarg1)
public static final void FragmenterBondType_atom1Label_set(long jarg1, FragmenterBondType jarg1_, long jarg2)
public static final long FragmenterBondType_atom1Label_get(long jarg1, FragmenterBondType jarg1_)
public static final void FragmenterBondType_atom2Label_set(long jarg1, FragmenterBondType jarg1_, long jarg2)
public static final long FragmenterBondType_atom2Label_get(long jarg1, FragmenterBondType jarg1_)
public static final void FragmenterBondType_atom1Type_set(long jarg1, FragmenterBondType jarg1_, long jarg2)
public static final long FragmenterBondType_atom1Type_get(long jarg1, FragmenterBondType jarg1_)
public static final void FragmenterBondType_atom2Type_set(long jarg1, FragmenterBondType jarg1_, long jarg2)
public static final long FragmenterBondType_atom2Type_get(long jarg1, FragmenterBondType jarg1_)
public static final void FragmenterBondType_bondType_set(long jarg1, FragmenterBondType jarg1_, int jarg2)
public static final int FragmenterBondType_bondType_get(long jarg1, FragmenterBondType jarg1_)
public static final void FragmenterBondType_query_set(long jarg1, FragmenterBondType jarg1_, long jarg2, ROMol jarg2_)
public static final long FragmenterBondType_query_get(long jarg1, FragmenterBondType jarg1_)
public static final long new_FragmenterBondType()
public static final void delete_FragmenterBondType(long jarg1)
public static final long fragmentOnBRICSBonds(long jarg1, ROMol jarg1_)
public static final long findAllSubgraphsOfLengthsMtoN__SWIG_0(long jarg1, ROMol jarg1_, long jarg2, long jarg3, boolean jarg4, int jarg5)
public static final long findAllSubgraphsOfLengthsMtoN__SWIG_1(long jarg1, ROMol jarg1_, long jarg2, long jarg3, boolean jarg4)
public static final long findAllSubgraphsOfLengthsMtoN__SWIG_2(long jarg1, ROMol jarg1_, long jarg2, long jarg3)
public static final long findAllSubgraphsOfLengthN__SWIG_0(long jarg1, ROMol jarg1_, long jarg2, boolean jarg3, int jarg4)
public static final long findAllSubgraphsOfLengthN__SWIG_1(long jarg1, ROMol jarg1_, long jarg2, boolean jarg3)
public static final long findAllSubgraphsOfLengthN__SWIG_2(long jarg1, ROMol jarg1_, long jarg2)
public static final long findUniqueSubgraphsOfLengthN__SWIG_0(long jarg1, ROMol jarg1_, long jarg2, boolean jarg3, boolean jarg4, int jarg5)
public static final long findUniqueSubgraphsOfLengthN__SWIG_1(long jarg1, ROMol jarg1_, long jarg2, boolean jarg3, boolean jarg4)
public static final long findUniqueSubgraphsOfLengthN__SWIG_2(long jarg1, ROMol jarg1_, long jarg2, boolean jarg3)
public static final long findUniqueSubgraphsOfLengthN__SWIG_3(long jarg1, ROMol jarg1_, long jarg2)
public static final long findAllPathsOfLengthN__SWIG_0(long jarg1, ROMol jarg1_, long jarg2, boolean jarg3, boolean jarg4, int jarg5)
public static final long findAllPathsOfLengthN__SWIG_1(long jarg1, ROMol jarg1_, long jarg2, boolean jarg3, boolean jarg4)
public static final long findAllPathsOfLengthN__SWIG_2(long jarg1, ROMol jarg1_, long jarg2, boolean jarg3)
public static final long findAllPathsOfLengthN__SWIG_3(long jarg1, ROMol jarg1_, long jarg2)
public static final long findAllPathsOfLengthsMtoN__SWIG_0(long jarg1, ROMol jarg1_, long jarg2, long jarg3, boolean jarg4, boolean jarg5, int jarg6)
public static final long findAllPathsOfLengthsMtoN__SWIG_1(long jarg1, ROMol jarg1_, long jarg2, long jarg3, boolean jarg4, boolean jarg5)
public static final long findAllPathsOfLengthsMtoN__SWIG_2(long jarg1, ROMol jarg1_, long jarg2, long jarg3, boolean jarg4)
public static final long findAllPathsOfLengthsMtoN__SWIG_3(long jarg1, ROMol jarg1_, long jarg2, long jarg3)
public static final long findAtomEnvironmentOfRadiusN__SWIG_0(long jarg1, ROMol jarg1_, long jarg2, long jarg3, boolean jarg4)
public static final long findAtomEnvironmentOfRadiusN__SWIG_1(long jarg1, ROMol jarg1_, long jarg2, long jarg3)
public static final long calcPathDiscriminators(long jarg1, ROMol jarg1_, long jarg2, Int_Vect jarg2_)
public static final long uniquifyPaths__SWIG_0(long jarg1, ROMol jarg1_, long jarg2, Int_Vect_List jarg2_, boolean jarg3)
public static final long uniquifyPaths__SWIG_1(long jarg1, ROMol jarg1_, long jarg2, Int_Vect_List jarg2_)
public static final long bondListFromAtomList(long jarg1, ROMol jarg1_, long jarg2, Int_Vect jarg2_)
public static final long pathToSubmol__SWIG_0(long jarg1, ROMol jarg1_, long jarg2, Int_Vect jarg2_, boolean jarg3, long jarg4, Int_Int_Map jarg4_)
public static final long pathToSubmol__SWIG_1(long jarg1, ROMol jarg1_, long jarg2, Int_Vect jarg2_, boolean jarg3)
public static final long pathToSubmol__SWIG_2(long jarg1, ROMol jarg1_, long jarg2, Int_Vect jarg2_)
public static final void transformMolsAtoms(long jarg1, ROMol jarg1_, long jarg2, Transform3D jarg2_)
public static final void transformAtom(long jarg1, Atom jarg1_, long jarg2, Transform3D jarg2_)
public static final long computeCentroid__SWIG_0(long jarg1, Conformer jarg1_, boolean jarg2)
public static final long computeCentroid__SWIG_1(long jarg1, Conformer jarg1_)
public static final long computeCanonicalTransform__SWIG_0(long jarg1, Conformer jarg1_, long jarg2, Point3D jarg2_, boolean jarg3, boolean jarg4)
public static final long computeCanonicalTransform__SWIG_1(long jarg1, Conformer jarg1_, long jarg2, Point3D jarg2_, boolean jarg3)
public static final long computeCanonicalTransform__SWIG_2(long jarg1, Conformer jarg1_, long jarg2, Point3D jarg2_)
public static final long computeCanonicalTransform__SWIG_3(long jarg1, Conformer jarg1_)
public static final void transformConformer(long jarg1, Conformer jarg1_, long jarg2, Transform3D jarg2_)
public static final void canonicalizeConformer__SWIG_0(long jarg1, Conformer jarg1_, long jarg2, Point3D jarg2_, boolean jarg3, boolean jarg4)
public static final void canonicalizeConformer__SWIG_1(long jarg1, Conformer jarg1_, long jarg2, Point3D jarg2_, boolean jarg3)
public static final void canonicalizeConformer__SWIG_2(long jarg1, Conformer jarg1_, long jarg2, Point3D jarg2_)
public static final void canonicalizeConformer__SWIG_3(long jarg1, Conformer jarg1_)
public static final void canonicalizeMol__SWIG_0(long jarg1, ROMol jarg1_, boolean jarg2, boolean jarg3)
public static final void canonicalizeMol__SWIG_1(long jarg1, ROMol jarg1_, boolean jarg2)
public static final void canonicalizeMol__SWIG_2(long jarg1, ROMol jarg1_)
public static final double getBondLength(long jarg1, Conformer jarg1_, long jarg2, long jarg3)
public static final void setBondLength(long jarg1, Conformer jarg1_, long jarg2, long jarg3, double jarg4)
public static final double getAngleRad(long jarg1, Conformer jarg1_, long jarg2, long jarg3, long jarg4)
public static final double getAngleDeg(long jarg1, Conformer jarg1_, long jarg2, long jarg3, long jarg4)
public static final void setAngleRad(long jarg1, Conformer jarg1_, long jarg2, long jarg3, long jarg4, double jarg5)
public static final void setAngleDeg(long jarg1, Conformer jarg1_, long jarg2, long jarg3, long jarg4, double jarg5)
public static final double getDihedralRad(long jarg1, Conformer jarg1_, long jarg2, long jarg3, long jarg4, long jarg5)
public static final double getDihedralDeg(long jarg1, Conformer jarg1_, long jarg2, long jarg3, long jarg4, long jarg5)
public static final void setDihedralRad(long jarg1, Conformer jarg1_, long jarg2, long jarg3, long jarg4, long jarg5, double jarg6)
public static final void setDihedralDeg(long jarg1, Conformer jarg1_, long jarg2, long jarg3, long jarg4, long jarg5, double jarg6)
public static final void MCSAtomCompareParameters_MatchValences_set(long jarg1, MCSAtomCompareParameters jarg1_, boolean jarg2)
public static final boolean MCSAtomCompareParameters_MatchValences_get(long jarg1, MCSAtomCompareParameters jarg1_)
public static final void MCSAtomCompareParameters_MatchChiralTag_set(long jarg1, MCSAtomCompareParameters jarg1_, boolean jarg2)
public static final boolean MCSAtomCompareParameters_MatchChiralTag_get(long jarg1, MCSAtomCompareParameters jarg1_)
public static final void MCSAtomCompareParameters_MatchFormalCharge_set(long jarg1, MCSAtomCompareParameters jarg1_, boolean jarg2)
public static final boolean MCSAtomCompareParameters_MatchFormalCharge_get(long jarg1, MCSAtomCompareParameters jarg1_)
public static final void MCSAtomCompareParameters_RingMatchesRingOnly_set(long jarg1, MCSAtomCompareParameters jarg1_, boolean jarg2)
public static final boolean MCSAtomCompareParameters_RingMatchesRingOnly_get(long jarg1, MCSAtomCompareParameters jarg1_)
public static final long new_MCSAtomCompareParameters()
public static final void delete_MCSAtomCompareParameters(long jarg1)
public static final void MCSBondCompareParameters_RingMatchesRingOnly_set(long jarg1, MCSBondCompareParameters jarg1_, boolean jarg2)
public static final boolean MCSBondCompareParameters_RingMatchesRingOnly_get(long jarg1, MCSBondCompareParameters jarg1_)
public static final void MCSBondCompareParameters_CompleteRingsOnly_set(long jarg1, MCSBondCompareParameters jarg1_, boolean jarg2)
public static final boolean MCSBondCompareParameters_CompleteRingsOnly_get(long jarg1, MCSBondCompareParameters jarg1_)
public static final void MCSBondCompareParameters_MatchFusedRings_set(long jarg1, MCSBondCompareParameters jarg1_, boolean jarg2)
public static final boolean MCSBondCompareParameters_MatchFusedRings_get(long jarg1, MCSBondCompareParameters jarg1_)
public static final void MCSBondCompareParameters_MatchFusedRingsStrict_set(long jarg1, MCSBondCompareParameters jarg1_, boolean jarg2)
public static final boolean MCSBondCompareParameters_MatchFusedRingsStrict_get(long jarg1, MCSBondCompareParameters jarg1_)
public static final void MCSBondCompareParameters_MatchStereo_set(long jarg1, MCSBondCompareParameters jarg1_, boolean jarg2)
public static final boolean MCSBondCompareParameters_MatchStereo_get(long jarg1, MCSBondCompareParameters jarg1_)
public static final long new_MCSBondCompareParameters()
public static final void delete_MCSBondCompareParameters(long jarg1)
public static final boolean MCSAtomCompareAny(long jarg1, MCSAtomCompareParameters jarg1_, long jarg2, ROMol jarg2_, long jarg3, long jarg4, ROMol jarg4_, long jarg5, long jarg6)
public static final boolean MCSAtomCompareAnyHeavyAtom(long jarg1, MCSAtomCompareParameters jarg1_, long jarg2, ROMol jarg2_, long jarg3, long jarg4, ROMol jarg4_, long jarg5, long jarg6)
public static final boolean MCSAtomCompareElements(long jarg1, MCSAtomCompareParameters jarg1_, long jarg2, ROMol jarg2_, long jarg3, long jarg4, ROMol jarg4_, long jarg5, long jarg6)
public static final boolean MCSAtomCompareIsotopes(long jarg1, MCSAtomCompareParameters jarg1_, long jarg2, ROMol jarg2_, long jarg3, long jarg4, ROMol jarg4_, long jarg5, long jarg6)
public static final boolean MCSBondCompareAny(long jarg1, MCSBondCompareParameters jarg1_, long jarg2, ROMol jarg2_, long jarg3, long jarg4, ROMol jarg4_, long jarg5, long jarg6)
public static final boolean MCSBondCompareOrder(long jarg1, MCSBondCompareParameters jarg1_, long jarg2, ROMol jarg2_, long jarg3, long jarg4, ROMol jarg4_, long jarg5, long jarg6)
public static final boolean MCSBondCompareOrderExact(long jarg1, MCSBondCompareParameters jarg1_, long jarg2, ROMol jarg2_, long jarg3, long jarg4, ROMol jarg4_, long jarg5, long jarg6)
public static final void MCSProgressData_NumAtoms_set(long jarg1, MCSProgressData jarg1_, long jarg2)
public static final long MCSProgressData_NumAtoms_get(long jarg1, MCSProgressData jarg1_)
public static final void MCSProgressData_NumBonds_set(long jarg1, MCSProgressData jarg1_, long jarg2)
public static final long MCSProgressData_NumBonds_get(long jarg1, MCSProgressData jarg1_)
public static final void MCSProgressData_SeedProcessed_set(long jarg1, MCSProgressData jarg1_, long jarg2)
public static final long MCSProgressData_SeedProcessed_get(long jarg1, MCSProgressData jarg1_)
public static final long new_MCSProgressData()
public static final void delete_MCSProgressData(long jarg1)
public static final boolean MCSProgressCallbackTimeout(long jarg1, MCSProgressData jarg1_, long jarg2, long jarg3)
public static final void MCSResult_NumAtoms_set(long jarg1, MCSResult jarg1_, long jarg2)
public static final long MCSResult_NumAtoms_get(long jarg1, MCSResult jarg1_)
public static final void MCSResult_NumBonds_set(long jarg1, MCSResult jarg1_, long jarg2)
public static final long MCSResult_NumBonds_get(long jarg1, MCSResult jarg1_)
public static final void MCSResult_SmartsString_set(long jarg1, MCSResult jarg1_, java.lang.String jarg2)
public static final java.lang.String MCSResult_SmartsString_get(long jarg1, MCSResult jarg1_)
public static final void MCSResult_Canceled_set(long jarg1, MCSResult jarg1_, boolean jarg2)
public static final boolean MCSResult_Canceled_get(long jarg1, MCSResult jarg1_)
public static final long new_MCSResult()
public static final boolean MCSResult_isCompleted(long jarg1, MCSResult jarg1_)
public static final void delete_MCSResult(long jarg1)
public static final void parseMCSParametersJSON(java.lang.String jarg1, long jarg2)
public static final long findMCS__SWIG_0(long jarg1, ROMol_Vect jarg1_)
public static final long findMCS_P(long jarg1, ROMol_Vect jarg1_, java.lang.String jarg2)
public static final long findMCS__SWIG_1(long jarg1, ROMol_Vect jarg1_, boolean jarg2, double jarg3, long jarg4, boolean jarg5, boolean jarg6, boolean jarg7, boolean jarg8, boolean jarg9, int jarg10, int jarg11, int jarg12)
public static final long findMCS__SWIG_2(long jarg1, ROMol_Vect jarg1_, boolean jarg2, double jarg3, long jarg4, boolean jarg5, boolean jarg6, boolean jarg7, boolean jarg8, boolean jarg9, int jarg10, int jarg11)
public static final long findMCS__SWIG_3(long jarg1, ROMol_Vect jarg1_, boolean jarg2, double jarg3, long jarg4, boolean jarg5, boolean jarg6, boolean jarg7, boolean jarg8, boolean jarg9, int jarg10)
public static final long findMCS__SWIG_4(long jarg1, ROMol_Vect jarg1_, boolean jarg2, double jarg3, long jarg4, boolean jarg5, boolean jarg6, boolean jarg7, boolean jarg8, boolean jarg9)
public static final long findMCS__SWIG_5(long jarg1, ROMol_Vect jarg1_, boolean jarg2, double jarg3, long jarg4, boolean jarg5, boolean jarg6, boolean jarg7, boolean jarg8)
public static final long findMCS__SWIG_6(long jarg1, ROMol_Vect jarg1_, boolean jarg2, double jarg3, long jarg4, boolean jarg5, boolean jarg6, boolean jarg7)
public static final long findMCS__SWIG_7(long jarg1, ROMol_Vect jarg1_, boolean jarg2, double jarg3, long jarg4, boolean jarg5, boolean jarg6)
public static final long findMCS__SWIG_8(long jarg1, ROMol_Vect jarg1_, boolean jarg2, double jarg3, long jarg4, boolean jarg5)
public static final long findMCS__SWIG_9(long jarg1, ROMol_Vect jarg1_, boolean jarg2, double jarg3, long jarg4)
public static final long findMCS__SWIG_10(long jarg1, ROMol_Vect jarg1_, boolean jarg2, double jarg3)
public static final long findMCS__SWIG_11(long jarg1, ROMol_Vect jarg1_, boolean jarg2)
public static final long new_Int_String_Map__SWIG_0()
public static final long new_Int_String_Map__SWIG_1(long jarg1, Int_String_Map jarg1_)
public static final long Int_String_Map_size(long jarg1, Int_String_Map jarg1_)
public static final boolean Int_String_Map_empty(long jarg1, Int_String_Map jarg1_)
public static final void Int_String_Map_clear(long jarg1, Int_String_Map jarg1_)
public static final java.lang.String Int_String_Map_get(long jarg1, Int_String_Map jarg1_, int jarg2)
public static final void Int_String_Map_set(long jarg1, Int_String_Map jarg1_, int jarg2, java.lang.String jarg3)
public static final void Int_String_Map_del(long jarg1, Int_String_Map jarg1_, int jarg2)
public static final boolean Int_String_Map_has_key(long jarg1, Int_String_Map jarg1_, int jarg2)
public static final void delete_Int_String_Map(long jarg1)
public static final long new_ColourPalette__SWIG_0()
public static final long new_ColourPalette__SWIG_1(long jarg1, ColourPalette jarg1_)
public static final long ColourPalette_size(long jarg1, ColourPalette jarg1_)
public static final boolean ColourPalette_empty(long jarg1, ColourPalette jarg1_)
public static final void ColourPalette_clear(long jarg1, ColourPalette jarg1_)
public static final long ColourPalette_get(long jarg1, ColourPalette jarg1_, int jarg2)
public static final void ColourPalette_set(long jarg1, ColourPalette jarg1_, int jarg2, long jarg3, DrawColour jarg3_)
public static final void ColourPalette_del(long jarg1, ColourPalette jarg1_, int jarg2)
public static final boolean ColourPalette_has_key(long jarg1, ColourPalette jarg1_, int jarg2)
public static final void delete_ColourPalette(long jarg1)
public static final long new_Int_Double_Map__SWIG_0()
public static final long new_Int_Double_Map__SWIG_1(long jarg1, Int_Double_Map jarg1_)
public static final long Int_Double_Map_size(long jarg1, Int_Double_Map jarg1_)
public static final boolean Int_Double_Map_empty(long jarg1, Int_Double_Map jarg1_)
public static final void Int_Double_Map_clear(long jarg1, Int_Double_Map jarg1_)
public static final double Int_Double_Map_get(long jarg1, Int_Double_Map jarg1_, int jarg2)
public static final void Int_Double_Map_set(long jarg1, Int_Double_Map jarg1_, int jarg2, double jarg3)
public static final void Int_Double_Map_del(long jarg1, Int_Double_Map jarg1_, int jarg2)
public static final boolean Int_Double_Map_has_key(long jarg1, Int_Double_Map jarg1_, int jarg2)
public static final void delete_Int_Double_Map(long jarg1)
public static final long new_Float_Pair__SWIG_0()
public static final long new_Float_Pair__SWIG_1(float jarg1, float jarg2)
public static final long new_Float_Pair__SWIG_2(long jarg1, Float_Pair jarg1_)
public static final void Float_Pair_first_set(long jarg1, Float_Pair jarg1_, float jarg2)
public static final float Float_Pair_first_get(long jarg1, Float_Pair jarg1_)
public static final void Float_Pair_second_set(long jarg1, Float_Pair jarg1_, float jarg2)
public static final float Float_Pair_second_get(long jarg1, Float_Pair jarg1_)
public static final void delete_Float_Pair(long jarg1)
public static final long new_Float_Pair_Vect__SWIG_0()
public static final long new_Float_Pair_Vect__SWIG_1(long jarg1)
public static final long Float_Pair_Vect_size(long jarg1, Float_Pair_Vect jarg1_)
public static final long Float_Pair_Vect_capacity(long jarg1, Float_Pair_Vect jarg1_)
public static final void Float_Pair_Vect_reserve(long jarg1, Float_Pair_Vect jarg1_, long jarg2)
public static final boolean Float_Pair_Vect_isEmpty(long jarg1, Float_Pair_Vect jarg1_)
public static final void Float_Pair_Vect_clear(long jarg1, Float_Pair_Vect jarg1_)
public static final void Float_Pair_Vect_add(long jarg1, Float_Pair_Vect jarg1_, long jarg2, Float_Pair jarg2_)
public static final long Float_Pair_Vect_get(long jarg1, Float_Pair_Vect jarg1_, int jarg2)
public static final void Float_Pair_Vect_set(long jarg1, Float_Pair_Vect jarg1_, int jarg2, long jarg3, Float_Pair jarg3_)
public static final boolean Float_Pair_Vect_equals(long jarg1, Float_Pair_Vect jarg1_, long jarg2, Float_Pair_Vect jarg2_)
public static final void delete_Float_Pair_Vect(long jarg1)
public static final void DrawColour_r_set(long jarg1, DrawColour jarg1_, double jarg2)
public static final double DrawColour_r_get(long jarg1, DrawColour jarg1_)
public static final void DrawColour_g_set(long jarg1, DrawColour jarg1_, double jarg2)
public static final double DrawColour_g_get(long jarg1, DrawColour jarg1_)
public static final void DrawColour_b_set(long jarg1, DrawColour jarg1_, double jarg2)
public static final double DrawColour_b_get(long jarg1, DrawColour jarg1_)
public static final void DrawColour_a_set(long jarg1, DrawColour jarg1_, double jarg2)
public static final double DrawColour_a_get(long jarg1, DrawColour jarg1_)
public static final long new_DrawColour__SWIG_0()
public static final long new_DrawColour__SWIG_1(double jarg1, double jarg2, double jarg3, double jarg4)
public static final long new_DrawColour__SWIG_2(double jarg1, double jarg2, double jarg3)
public static final boolean DrawColour_feq__SWIG_0(long jarg1, DrawColour jarg1_, long jarg2, DrawColour jarg2_, double jarg3, boolean jarg4)
public static final boolean DrawColour_feq__SWIG_1(long jarg1, DrawColour jarg1_, long jarg2, DrawColour jarg2_, double jarg3)
public static final boolean DrawColour_feq__SWIG_2(long jarg1, DrawColour jarg1_, long jarg2, DrawColour jarg2_)
public static final void delete_DrawColour(long jarg1)
public static final void assignDefaultPalette(long jarg1, ColourPalette jarg1_)
public static final void assignBWPalette(long jarg1, ColourPalette jarg1_)
public static final void MolDrawOptions_atomLabelDeuteriumTritium_set(long jarg1, MolDrawOptions jarg1_, boolean jarg2)
public static final boolean MolDrawOptions_atomLabelDeuteriumTritium_get(long jarg1, MolDrawOptions jarg1_)
public static final void MolDrawOptions_dummiesAreAttachments_set(long jarg1, MolDrawOptions jarg1_, boolean jarg2)
public static final boolean MolDrawOptions_dummiesAreAttachments_get(long jarg1, MolDrawOptions jarg1_)
public static final void MolDrawOptions_circleAtoms_set(long jarg1, MolDrawOptions jarg1_, boolean jarg2)
public static final boolean MolDrawOptions_circleAtoms_get(long jarg1, MolDrawOptions jarg1_)
public static final void MolDrawOptions_highlightColour_set(long jarg1, MolDrawOptions jarg1_, long jarg2, DrawColour jarg2_)
public static final long MolDrawOptions_highlightColour_get(long jarg1, MolDrawOptions jarg1_)
public static final void MolDrawOptions_continuousHighlight_set(long jarg1, MolDrawOptions jarg1_, boolean jarg2)
public static final boolean MolDrawOptions_continuousHighlight_get(long jarg1, MolDrawOptions jarg1_)
public static final void MolDrawOptions_fillHighlights_set(long jarg1, MolDrawOptions jarg1_, boolean jarg2)
public static final boolean MolDrawOptions_fillHighlights_get(long jarg1, MolDrawOptions jarg1_)
public static final void MolDrawOptions_flagCloseContactsDist_set(long jarg1, MolDrawOptions jarg1_, int jarg2)
public static final int MolDrawOptions_flagCloseContactsDist_get(long jarg1, MolDrawOptions jarg1_)
public static final void MolDrawOptions_includeAtomTags_set(long jarg1, MolDrawOptions jarg1_, boolean jarg2)
public static final boolean MolDrawOptions_includeAtomTags_get(long jarg1, MolDrawOptions jarg1_)
public static final void MolDrawOptions_clearBackground_set(long jarg1, MolDrawOptions jarg1_, boolean jarg2)
public static final boolean MolDrawOptions_clearBackground_get(long jarg1, MolDrawOptions jarg1_)
public static final void MolDrawOptions_backgroundColour_set(long jarg1, MolDrawOptions jarg1_, long jarg2, DrawColour jarg2_)
public static final long MolDrawOptions_backgroundColour_get(long jarg1, MolDrawOptions jarg1_)
public static final void MolDrawOptions_legendFontSize_set(long jarg1, MolDrawOptions jarg1_, int jarg2)
public static final int MolDrawOptions_legendFontSize_get(long jarg1, MolDrawOptions jarg1_)
public static final void MolDrawOptions_legendColour_set(long jarg1, MolDrawOptions jarg1_, long jarg2, DrawColour jarg2_)
public static final long MolDrawOptions_legendColour_get(long jarg1, MolDrawOptions jarg1_)
public static final void MolDrawOptions_multipleBondOffset_set(long jarg1, MolDrawOptions jarg1_, double jarg2)
public static final double MolDrawOptions_multipleBondOffset_get(long jarg1, MolDrawOptions jarg1_)
public static final void MolDrawOptions_padding_set(long jarg1, MolDrawOptions jarg1_, double jarg2)
public static final double MolDrawOptions_padding_get(long jarg1, MolDrawOptions jarg1_)
public static final void MolDrawOptions_additionalAtomLabelPadding_set(long jarg1, MolDrawOptions jarg1_, double jarg2)
public static final double MolDrawOptions_additionalAtomLabelPadding_get(long jarg1, MolDrawOptions jarg1_)
public static final void MolDrawOptions_atomLabels_set(long jarg1, MolDrawOptions jarg1_, long jarg2, Int_String_Map jarg2_)
public static final long MolDrawOptions_atomLabels_get(long jarg1, MolDrawOptions jarg1_)
public static final void MolDrawOptions_atomRegions_set(long jarg1, MolDrawOptions jarg1_, long jarg2, Int_Vect_Vect jarg2_)
public static final long MolDrawOptions_atomRegions_get(long jarg1, MolDrawOptions jarg1_)
public static final void MolDrawOptions_symbolColour_set(long jarg1, MolDrawOptions jarg1_, long jarg2, DrawColour jarg2_)
public static final long MolDrawOptions_symbolColour_get(long jarg1, MolDrawOptions jarg1_)
public static final void MolDrawOptions_bondLineWidth_set(long jarg1, MolDrawOptions jarg1_, int jarg2)
public static final int MolDrawOptions_bondLineWidth_get(long jarg1, MolDrawOptions jarg1_)
public static final void MolDrawOptions_prepareMolsBeforeDrawing_set(long jarg1, MolDrawOptions jarg1_, boolean jarg2)
public static final boolean MolDrawOptions_prepareMolsBeforeDrawing_get(long jarg1, MolDrawOptions jarg1_)
public static final void MolDrawOptions_highlightColourPalette_set(long jarg1, MolDrawOptions jarg1_, long jarg2)
public static final long MolDrawOptions_highlightColourPalette_get(long jarg1, MolDrawOptions jarg1_)
public static final void MolDrawOptions_atomColourPalette_set(long jarg1, MolDrawOptions jarg1_, long jarg2, ColourPalette jarg2_)
public static final long MolDrawOptions_atomColourPalette_get(long jarg1, MolDrawOptions jarg1_)
public static final long new_MolDrawOptions()
public static final void delete_MolDrawOptions(long jarg1)
public static final int MolDraw2D_C_get()
public static final int MolDraw2D_TextDrawNormal_get()
public static final void delete_MolDraw2D(long jarg1)
public static final void MolDraw2D_drawMolecule__SWIG_0(long jarg1, MolDraw2D jarg1_, long jarg2, ROMol jarg2_, java.lang.String jarg3, long jarg4, Int_Vect jarg4_, long jarg5, Int_Vect jarg5_, long jarg6, ColourPalette jarg6_, long jarg7, ColourPalette jarg7_, long jarg8, Int_Double_Map jarg8_, int jarg9)
public static final void MolDraw2D_drawMolecule__SWIG_1(long jarg1, MolDraw2D jarg1_, long jarg2, ROMol jarg2_, java.lang.String jarg3, long jarg4, Int_Vect jarg4_, long jarg5, Int_Vect jarg5_, long jarg6, ColourPalette jarg6_, long jarg7, ColourPalette jarg7_, long jarg8, Int_Double_Map jarg8_)
public static final void MolDraw2D_drawMolecule__SWIG_2(long jarg1, MolDraw2D jarg1_, long jarg2, ROMol jarg2_, java.lang.String jarg3, long jarg4, Int_Vect jarg4_, long jarg5, Int_Vect jarg5_, long jarg6, ColourPalette jarg6_, long jarg7, ColourPalette jarg7_)
public static final void MolDraw2D_drawMolecule__SWIG_3(long jarg1, MolDraw2D jarg1_, long jarg2, ROMol jarg2_, java.lang.String jarg3, long jarg4, Int_Vect jarg4_, long jarg5, Int_Vect jarg5_, long jarg6, ColourPalette jarg6_)
public static final void MolDraw2D_drawMolecule__SWIG_4(long jarg1, MolDraw2D jarg1_, long jarg2, ROMol jarg2_, java.lang.String jarg3, long jarg4, Int_Vect jarg4_, long jarg5, Int_Vect jarg5_)
public static final void MolDraw2D_drawMolecule__SWIG_5(long jarg1, MolDraw2D jarg1_, long jarg2, ROMol jarg2_, long jarg3, Int_Vect jarg3_, long jarg4, ColourPalette jarg4_, long jarg5, Int_Double_Map jarg5_, int jarg6)
public static final void MolDraw2D_drawMolecule__SWIG_6(long jarg1, MolDraw2D jarg1_, long jarg2, ROMol jarg2_, long jarg3, Int_Vect jarg3_, long jarg4, ColourPalette jarg4_, long jarg5, Int_Double_Map jarg5_)
public static final void MolDraw2D_drawMolecule__SWIG_7(long jarg1, MolDraw2D jarg1_, long jarg2, ROMol jarg2_, long jarg3, Int_Vect jarg3_, long jarg4, ColourPalette jarg4_)
public static final void MolDraw2D_drawMolecule__SWIG_8(long jarg1, MolDraw2D jarg1_, long jarg2, ROMol jarg2_, long jarg3, Int_Vect jarg3_)
public static final void MolDraw2D_drawMolecule__SWIG_9(long jarg1, MolDraw2D jarg1_, long jarg2, ROMol jarg2_)
public static final void MolDraw2D_drawMolecule__SWIG_10(long jarg1, MolDraw2D jarg1_, long jarg2, ROMol jarg2_, java.lang.String jarg3, long jarg4, Int_Vect jarg4_, long jarg5, ColourPalette jarg5_, long jarg6, Int_Double_Map jarg6_, int jarg7)
public static final void MolDraw2D_drawMolecule__SWIG_11(long jarg1, MolDraw2D jarg1_, long jarg2, ROMol jarg2_, java.lang.String jarg3, long jarg4, Int_Vect jarg4_, long jarg5, ColourPalette jarg5_, long jarg6, Int_Double_Map jarg6_)
public static final void MolDraw2D_drawMolecule__SWIG_12(long jarg1, MolDraw2D jarg1_, long jarg2, ROMol jarg2_, java.lang.String jarg3, long jarg4, Int_Vect jarg4_, long jarg5, ColourPalette jarg5_)
public static final void MolDraw2D_drawMolecule__SWIG_13(long jarg1, MolDraw2D jarg1_, long jarg2, ROMol jarg2_, java.lang.String jarg3, long jarg4, Int_Vect jarg4_)
public static final void MolDraw2D_drawMolecule__SWIG_14(long jarg1, MolDraw2D jarg1_, long jarg2, ROMol jarg2_, java.lang.String jarg3)
public static final void MolDraw2D_drawMolecule__SWIG_15(long jarg1, MolDraw2D jarg1_, long jarg2, ROMol jarg2_, long jarg3, Int_Vect jarg3_, long jarg4, Int_Vect jarg4_, long jarg5, ColourPalette jarg5_, long jarg6, ColourPalette jarg6_, long jarg7, Int_Double_Map jarg7_, int jarg8)
public static final void MolDraw2D_drawMolecule__SWIG_16(long jarg1, MolDraw2D jarg1_, long jarg2, ROMol jarg2_, long jarg3, Int_Vect jarg3_, long jarg4, Int_Vect jarg4_, long jarg5, ColourPalette jarg5_, long jarg6, ColourPalette jarg6_, long jarg7, Int_Double_Map jarg7_)
public static final void MolDraw2D_drawMolecule__SWIG_17(long jarg1, MolDraw2D jarg1_, long jarg2, ROMol jarg2_, long jarg3, Int_Vect jarg3_, long jarg4, Int_Vect jarg4_, long jarg5, ColourPalette jarg5_, long jarg6, ColourPalette jarg6_)
public static final void MolDraw2D_drawMolecule__SWIG_18(long jarg1, MolDraw2D jarg1_, long jarg2, ROMol jarg2_, long jarg3, Int_Vect jarg3_, long jarg4, Int_Vect jarg4_, long jarg5, ColourPalette jarg5_)
public static final void MolDraw2D_drawMolecule__SWIG_19(long jarg1, MolDraw2D jarg1_, long jarg2, ROMol jarg2_, long jarg3, Int_Vect jarg3_, long jarg4, Int_Vect jarg4_)
public static final void MolDraw2D_drawMolecules__SWIG_0(long jarg1, MolDraw2D jarg1_, long jarg2, long jarg3, Str_Vect jarg3_, long jarg4, Int_Vect_Vect jarg4_, long jarg5, Int_Vect_Vect jarg5_, long jarg6, long jarg7, long jarg8, long jarg9, Int_Vect jarg9_)
public static final void MolDraw2D_drawMolecules__SWIG_1(long jarg1, MolDraw2D jarg1_, long jarg2, long jarg3, Str_Vect jarg3_, long jarg4, Int_Vect_Vect jarg4_, long jarg5, Int_Vect_Vect jarg5_, long jarg6, long jarg7, long jarg8)
public static final void MolDraw2D_drawMolecules__SWIG_2(long jarg1, MolDraw2D jarg1_, long jarg2, long jarg3, Str_Vect jarg3_, long jarg4, Int_Vect_Vect jarg4_, long jarg5, Int_Vect_Vect jarg5_, long jarg6, long jarg7)
public static final void MolDraw2D_drawMolecules__SWIG_3(long jarg1, MolDraw2D jarg1_, long jarg2, long jarg3, Str_Vect jarg3_, long jarg4, Int_Vect_Vect jarg4_, long jarg5, Int_Vect_Vect jarg5_, long jarg6)
public static final void MolDraw2D_drawMolecules__SWIG_4(long jarg1, MolDraw2D jarg1_, long jarg2, long jarg3, Str_Vect jarg3_, long jarg4, Int_Vect_Vect jarg4_, long jarg5, Int_Vect_Vect jarg5_)
public static final void MolDraw2D_drawMolecules__SWIG_5(long jarg1, MolDraw2D jarg1_, long jarg2, long jarg3, Str_Vect jarg3_, long jarg4, Int_Vect_Vect jarg4_)
public static final void MolDraw2D_drawMolecules__SWIG_6(long jarg1, MolDraw2D jarg1_, long jarg2, long jarg3, Str_Vect jarg3_)
public static final void MolDraw2D_drawMolecules__SWIG_7(long jarg1, MolDraw2D jarg1_, long jarg2)
public static final void MolDraw2D_drawReaction__SWIG_0(long jarg1, MolDraw2D jarg1_, long jarg2, ChemicalReaction jarg2_, boolean jarg3, long jarg4, long jarg5, Int_Vect jarg5_)
public static final void MolDraw2D_drawReaction__SWIG_1(long jarg1, MolDraw2D jarg1_, long jarg2, ChemicalReaction jarg2_, boolean jarg3, long jarg4)
public static final void MolDraw2D_drawReaction__SWIG_2(long jarg1, MolDraw2D jarg1_, long jarg2, ChemicalReaction jarg2_, boolean jarg3)
public static final void MolDraw2D_drawReaction__SWIG_3(long jarg1, MolDraw2D jarg1_, long jarg2, ChemicalReaction jarg2_)
public static final long MolDraw2D_getDrawCoords__SWIG_0(long jarg1, MolDraw2D jarg1_, long jarg2, Point2D jarg2_)
public static final long MolDraw2D_getDrawCoords__SWIG_1(long jarg1, MolDraw2D jarg1_, int jarg2)
public static final long MolDraw2D_getAtomCoords__SWIG_0(long jarg1, MolDraw2D jarg1_, long jarg2, Int_Pair jarg2_)
public static final long MolDraw2D_getAtomCoords__SWIG_1(long jarg1, MolDraw2D jarg1_, long jarg2, Double_Pair jarg2_)
public static final long MolDraw2D_getAtomCoords__SWIG_2(long jarg1, MolDraw2D jarg1_, int jarg2)
public static final int MolDraw2D_width(long jarg1, MolDraw2D jarg1_)
public static final int MolDraw2D_height(long jarg1, MolDraw2D jarg1_)
public static final int MolDraw2D_panelWidth(long jarg1, MolDraw2D jarg1_)
public static final int MolDraw2D_panelHeight(long jarg1, MolDraw2D jarg1_)
public static final double MolDraw2D_scale(long jarg1, MolDraw2D jarg1_)
public static final void MolDraw2D_calculateScale__SWIG_0(long jarg1, MolDraw2D jarg1_, int jarg2, int jarg3, long jarg4, Int_Vect jarg4_, long jarg5, Int_Double_Map jarg5_)
public static final void MolDraw2D_calculateScale__SWIG_1(long jarg1, MolDraw2D jarg1_, int jarg2, int jarg3, long jarg4, Int_Vect jarg4_)
public static final void MolDraw2D_calculateScale__SWIG_2(long jarg1, MolDraw2D jarg1_, int jarg2, int jarg3)
public static final void MolDraw2D_calculateScale__SWIG_3(long jarg1, MolDraw2D jarg1_)
public static final void MolDraw2D_setScale(long jarg1, MolDraw2D jarg1_, int jarg2, int jarg3, long jarg4, Point2D jarg4_, long jarg5, Point2D jarg5_)
public static final void MolDraw2D_setOffset(long jarg1, MolDraw2D jarg1_, int jarg2, int jarg3)
public static final long MolDraw2D_offset(long jarg1, MolDraw2D jarg1_)
public static final long MolDraw2D_minPt(long jarg1, MolDraw2D jarg1_)
public static final long MolDraw2D_range(long jarg1, MolDraw2D jarg1_)
public static final double MolDraw2D_fontSize(long jarg1, MolDraw2D jarg1_)
public static final void MolDraw2D_setFontSize(long jarg1, MolDraw2D jarg1_, double jarg2)
public static final void MolDraw2D_setColour(long jarg1, MolDraw2D jarg1_, long jarg2, DrawColour jarg2_)
public static final long MolDraw2D_colour(long jarg1, MolDraw2D jarg1_)
public static final void MolDraw2D_setDash(long jarg1, MolDraw2D jarg1_, long jarg2, UInt_Vect jarg2_)
public static final long MolDraw2D_dash(long jarg1, MolDraw2D jarg1_)
public static final void MolDraw2D_setLineWidth(long jarg1, MolDraw2D jarg1_, int jarg2)
public static final int MolDraw2D_lineWidth(long jarg1, MolDraw2D jarg1_)
public static final boolean MolDraw2D_setStringDrawMode(long jarg1, MolDraw2D jarg1_, java.lang.String jarg2, long jarg3, long jarg4)
public static final void MolDraw2D_clearDrawing(long jarg1, MolDraw2D jarg1_)
public static final void MolDraw2D_drawLine(long jarg1, MolDraw2D jarg1_, long jarg2, Point2D jarg2_, long jarg3, Point2D jarg3_)
public static final void MolDraw2D_getStringSize(long jarg1, MolDraw2D jarg1_, java.lang.String jarg2, long jarg3, long jarg4)
public static final void MolDraw2D_drawString(long jarg1, MolDraw2D jarg1_, java.lang.String jarg2, long jarg3, Point2D jarg3_)
public static final void MolDraw2D_drawPolygon(long jarg1, MolDraw2D jarg1_, long jarg2)
public static final void MolDraw2D_drawTriangle(long jarg1, MolDraw2D jarg1_, long jarg2, Point2D jarg2_, long jarg3, Point2D jarg3_, long jarg4, Point2D jarg4_)
public static final void MolDraw2D_drawEllipse(long jarg1, MolDraw2D jarg1_, long jarg2, Point2D jarg2_, long jarg3, Point2D jarg3_)
public static final void MolDraw2D_drawRect(long jarg1, MolDraw2D jarg1_, long jarg2, Point2D jarg2_, long jarg3, Point2D jarg3_)
public static final void MolDraw2D_drawAttachmentLine__SWIG_0(long jarg1, MolDraw2D jarg1_, long jarg2, Point2D jarg2_, long jarg3, Point2D jarg3_, long jarg4, DrawColour jarg4_, double jarg5, long jarg6)
public static final void MolDraw2D_drawAttachmentLine__SWIG_1(long jarg1, MolDraw2D jarg1_, long jarg2, Point2D jarg2_, long jarg3, Point2D jarg3_, long jarg4, DrawColour jarg4_, double jarg5)
public static final void MolDraw2D_drawAttachmentLine__SWIG_2(long jarg1, MolDraw2D jarg1_, long jarg2, Point2D jarg2_, long jarg3, Point2D jarg3_, long jarg4, DrawColour jarg4_)
public static final void MolDraw2D_drawWavyLine__SWIG_0(long jarg1, MolDraw2D jarg1_, long jarg2, Point2D jarg2_, long jarg3, Point2D jarg3_, long jarg4, DrawColour jarg4_, long jarg5, DrawColour jarg5_, long jarg6, double jarg7)
public static final void MolDraw2D_drawWavyLine__SWIG_1(long jarg1, MolDraw2D jarg1_, long jarg2, Point2D jarg2_, long jarg3, Point2D jarg3_, long jarg4, DrawColour jarg4_, long jarg5, DrawColour jarg5_, long jarg6)
public static final void MolDraw2D_drawWavyLine__SWIG_2(long jarg1, MolDraw2D jarg1_, long jarg2, Point2D jarg2_, long jarg3, Point2D jarg3_, long jarg4, DrawColour jarg4_, long jarg5, DrawColour jarg5_)
public static final void MolDraw2D_tagAtoms(long jarg1, MolDraw2D jarg1_, long jarg2, ROMol jarg2_)
public static final boolean MolDraw2D_fillPolys(long jarg1, MolDraw2D jarg1_)
public static final void MolDraw2D_setFillPolys(long jarg1, MolDraw2D jarg1_, boolean jarg2)
public static final long MolDraw2D_drawOptions__SWIG_0(long jarg1, MolDraw2D jarg1_)
public static final long MolDraw2D_atomCoords(long jarg1, MolDraw2D jarg1_)
public static final long MolDraw2D_atomSyms(long jarg1, MolDraw2D jarg1_)
public static final void MolDraw2D_drawArrow__SWIG_0(long jarg1, MolDraw2D jarg1_, long jarg2, Point2D jarg2_, long jarg3, Point2D jarg3_, boolean jarg4, double jarg5, double jarg6)
public static final void MolDraw2D_drawArrow__SWIG_1(long jarg1, MolDraw2D jarg1_, long jarg2, Point2D jarg2_, long jarg3, Point2D jarg3_, boolean jarg4, double jarg5)
public static final void MolDraw2D_drawArrow__SWIG_2(long jarg1, MolDraw2D jarg1_, long jarg2, Point2D jarg2_, long jarg3, Point2D jarg3_, boolean jarg4)
public static final void MolDraw2D_drawArrow__SWIG_3(long jarg1, MolDraw2D jarg1_, long jarg2, Point2D jarg2_, long jarg3, Point2D jarg3_)
public static final long new_MolDraw2DSVG__SWIG_0(int jarg1, int jarg2, long jarg3, int jarg4, int jarg5)
public static final long new_MolDraw2DSVG__SWIG_1(int jarg1, int jarg2, long jarg3, int jarg4)
public static final long new_MolDraw2DSVG__SWIG_2(int jarg1, int jarg2, int jarg3, int jarg4)
public static final long new_MolDraw2DSVG__SWIG_3(int jarg1, int jarg2, int jarg3)
public static final long new_MolDraw2DSVG__SWIG_4(int jarg1, int jarg2)
public static final void MolDraw2DSVG_setFontSize(long jarg1, MolDraw2DSVG jarg1_, double jarg2)
public static final void MolDraw2DSVG_setColour(long jarg1, MolDraw2DSVG jarg1_, long jarg2, DrawColour jarg2_)
public static final void MolDraw2DSVG_finishDrawing(long jarg1, MolDraw2DSVG jarg1_)
public static final void MolDraw2DSVG_drawLine(long jarg1, MolDraw2DSVG jarg1_, long jarg2, Point2D jarg2_, long jarg3, Point2D jarg3_)
public static final void MolDraw2DSVG_drawString(long jarg1, MolDraw2DSVG jarg1_, java.lang.String jarg2, long jarg3, Point2D jarg3_)
public static final void MolDraw2DSVG_drawPolygon(long jarg1, MolDraw2DSVG jarg1_, long jarg2)
public static final void MolDraw2DSVG_drawEllipse(long jarg1, MolDraw2DSVG jarg1_, long jarg2, Point2D jarg2_, long jarg3, Point2D jarg3_)
public static final void MolDraw2DSVG_clearDrawing(long jarg1, MolDraw2DSVG jarg1_)
public static final void MolDraw2DSVG_drawWavyLine__SWIG_0(long jarg1, MolDraw2DSVG jarg1_, long jarg2, Point2D jarg2_, long jarg3, Point2D jarg3_, long jarg4, DrawColour jarg4_, long jarg5, DrawColour jarg5_, long jarg6, double jarg7)
public static final void MolDraw2DSVG_drawWavyLine__SWIG_1(long jarg1, MolDraw2DSVG jarg1_, long jarg2, Point2D jarg2_, long jarg3, Point2D jarg3_, long jarg4, DrawColour jarg4_, long jarg5, DrawColour jarg5_, long jarg6)
public static final void MolDraw2DSVG_drawWavyLine__SWIG_2(long jarg1, MolDraw2DSVG jarg1_, long jarg2, Point2D jarg2_, long jarg3, Point2D jarg3_, long jarg4, DrawColour jarg4_, long jarg5, DrawColour jarg5_)
public static final void MolDraw2DSVG_getStringSize(long jarg1, MolDraw2DSVG jarg1_, java.lang.String jarg2, long jarg3, long jarg4)
public static final java.lang.String MolDraw2DSVG_getDrawingText(long jarg1, MolDraw2DSVG jarg1_)
public static final void MolDraw2DSVG_tagAtoms__SWIG_0_0(long jarg1, MolDraw2DSVG jarg1_, long jarg2, ROMol jarg2_)
public static final void MolDraw2DSVG_tagAtoms__SWIG_2(long jarg1, MolDraw2DSVG jarg1_, long jarg2, ROMol jarg2_, double jarg3, long jarg4, String_String_Map jarg4_)
public static final void MolDraw2DSVG_tagAtoms__SWIG_3(long jarg1, MolDraw2DSVG jarg1_, long jarg2, ROMol jarg2_, double jarg3)
public static final void MolDraw2DSVG_addMoleculeMetadata__SWIG_0(long jarg1, MolDraw2DSVG jarg1_, long jarg2, ROMol jarg2_, int jarg3)
public static final void MolDraw2DSVG_addMoleculeMetadata__SWIG_1(long jarg1, MolDraw2DSVG jarg1_, long jarg2, ROMol jarg2_)
public static final void MolDraw2DSVG_addMoleculeMetadata__SWIG_2(long jarg1, MolDraw2DSVG jarg1_, long jarg2, long jarg3, Int_Vect jarg3_)
public static final void MolDraw2DSVG_addMoleculeMetadata__SWIG_3(long jarg1, MolDraw2DSVG jarg1_, long jarg2)
public static final void delete_MolDraw2DSVG(long jarg1)
public static final void prepareMolForDrawing__SWIG_0(long jarg1, RWMol jarg1_, boolean jarg2, boolean jarg3, boolean jarg4, boolean jarg5)
public static final void prepareMolForDrawing__SWIG_1(long jarg1, RWMol jarg1_, boolean jarg2, boolean jarg3, boolean jarg4)
public static final void prepareMolForDrawing__SWIG_2(long jarg1, RWMol jarg1_, boolean jarg2, boolean jarg3)
public static final void prepareMolForDrawing__SWIG_3(long jarg1, RWMol jarg1_, boolean jarg2)
public static final void prepareMolForDrawing__SWIG_4(long jarg1, RWMol jarg1_)
public static final void prepareAndDrawMolecule__SWIG_0(long jarg1, MolDraw2D jarg1_, long jarg2, ROMol jarg2_, java.lang.String jarg3, long jarg4, Int_Vect jarg4_, long jarg5, Int_Vect jarg5_, long jarg6, ColourPalette jarg6_, long jarg7, ColourPalette jarg7_, long jarg8, Int_Double_Map jarg8_, int jarg9)
public static final void prepareAndDrawMolecule__SWIG_1(long jarg1, MolDraw2D jarg1_, long jarg2, ROMol jarg2_, java.lang.String jarg3, long jarg4, Int_Vect jarg4_, long jarg5, Int_Vect jarg5_, long jarg6, ColourPalette jarg6_, long jarg7, ColourPalette jarg7_, long jarg8, Int_Double_Map jarg8_)
public static final void prepareAndDrawMolecule__SWIG_2(long jarg1, MolDraw2D jarg1_, long jarg2, ROMol jarg2_, java.lang.String jarg3, long jarg4, Int_Vect jarg4_, long jarg5, Int_Vect jarg5_, long jarg6, ColourPalette jarg6_, long jarg7, ColourPalette jarg7_)
public static final void prepareAndDrawMolecule__SWIG_3(long jarg1, MolDraw2D jarg1_, long jarg2, ROMol jarg2_, java.lang.String jarg3, long jarg4, Int_Vect jarg4_, long jarg5, Int_Vect jarg5_, long jarg6, ColourPalette jarg6_)
public static final void prepareAndDrawMolecule__SWIG_4(long jarg1, MolDraw2D jarg1_, long jarg2, ROMol jarg2_, java.lang.String jarg3, long jarg4, Int_Vect jarg4_, long jarg5, Int_Vect jarg5_)
public static final void prepareAndDrawMolecule__SWIG_5(long jarg1, MolDraw2D jarg1_, long jarg2, ROMol jarg2_, java.lang.String jarg3, long jarg4, Int_Vect jarg4_)
public static final void prepareAndDrawMolecule__SWIG_6(long jarg1, MolDraw2D jarg1_, long jarg2, ROMol jarg2_, java.lang.String jarg3)
public static final void prepareAndDrawMolecule__SWIG_7(long jarg1, MolDraw2D jarg1_, long jarg2, ROMol jarg2_)
public static final void updateDrawerParamsFromJSON__SWIG_0(long jarg1, MolDraw2D jarg1_, java.lang.String jarg2)
public static final void ContourParams_setScale_set(long jarg1, ContourParams jarg1_, boolean jarg2)
public static final boolean ContourParams_setScale_get(long jarg1, ContourParams jarg1_)
public static final void ContourParams_dashNegative_set(long jarg1, ContourParams jarg1_, boolean jarg2)
public static final boolean ContourParams_dashNegative_get(long jarg1, ContourParams jarg1_)
public static final void ContourParams_fillGrid_set(long jarg1, ContourParams jarg1_, boolean jarg2)
public static final boolean ContourParams_fillGrid_get(long jarg1, ContourParams jarg1_)
public static final void ContourParams_gridResolution_set(long jarg1, ContourParams jarg1_, double jarg2)
public static final double ContourParams_gridResolution_get(long jarg1, ContourParams jarg1_)
public static final void ContourParams_contourWidth_set(long jarg1, ContourParams jarg1_, double jarg2)
public static final double ContourParams_contourWidth_get(long jarg1, ContourParams jarg1_)
public static final void ContourParams_extraGridPadding_set(long jarg1, ContourParams jarg1_, double jarg2)
public static final double ContourParams_extraGridPadding_get(long jarg1, ContourParams jarg1_)
public static final void ContourParams_contourColour_set(long jarg1, ContourParams jarg1_, long jarg2, DrawColour jarg2_)
public static final long ContourParams_contourColour_get(long jarg1, ContourParams jarg1_)
public static final void ContourParams_colourMap_set(long jarg1, ContourParams jarg1_, long jarg2)
public static final long ContourParams_colourMap_get(long jarg1, ContourParams jarg1_)
public static final long new_ContourParams()
public static final void delete_ContourParams(long jarg1)
public static final void contourAndDrawGrid__SWIG_0(long jarg1, MolDraw2D jarg1_, long jarg2, long jarg3, Double_Vect jarg3_, long jarg4, Double_Vect jarg4_, long jarg5, long jarg6, Double_Vect jarg6_, long jarg7, ContourParams jarg7_)
public static final void contourAndDrawGrid__SWIG_1(long jarg1, MolDraw2D jarg1_, long jarg2, long jarg3, Double_Vect jarg3_, long jarg4, Double_Vect jarg4_, long jarg5, long jarg6, Double_Vect jarg6_)
public static final void contourAndDrawGrid__SWIG_2(long jarg1, MolDraw2D jarg1_, long jarg2, long jarg3, Double_Vect jarg3_, long jarg4, Double_Vect jarg4_, long jarg5, long jarg6, ContourParams jarg6_)
public static final void contourAndDrawGrid__SWIG_3(long jarg1, MolDraw2D jarg1_, long jarg2, long jarg3, Double_Vect jarg3_, long jarg4, Double_Vect jarg4_, long jarg5)
public static final void contourAndDrawGrid__SWIG_4(long jarg1, MolDraw2D jarg1_, long jarg2, long jarg3, Double_Vect jarg3_, long jarg4, Double_Vect jarg4_)
public static final void contourAndDrawGaussians__SWIG_0(long jarg1, MolDraw2D jarg1_, long jarg2, long jarg3, Double_Vect jarg3_, long jarg4, Double_Vect jarg4_, long jarg5, long jarg6, Double_Vect jarg6_, long jarg7, ContourParams jarg7_)
public static final void contourAndDrawGaussians__SWIG_1(long jarg1, MolDraw2D jarg1_, long jarg2, long jarg3, Double_Vect jarg3_, long jarg4, Double_Vect jarg4_, long jarg5, long jarg6, Double_Vect jarg6_)
public static final void contourAndDrawGaussians__SWIG_2(long jarg1, MolDraw2D jarg1_, long jarg2, long jarg3, Double_Vect jarg3_, long jarg4, Double_Vect jarg4_, long jarg5, long jarg6, ContourParams jarg6_)
public static final void contourAndDrawGaussians__SWIG_3(long jarg1, MolDraw2D jarg1_, long jarg2, long jarg3, Double_Vect jarg3_, long jarg4, Double_Vect jarg4_, long jarg5)
public static final void contourAndDrawGaussians__SWIG_4(long jarg1, MolDraw2D jarg1_, long jarg2, long jarg3, Double_Vect jarg3_, long jarg4, Double_Vect jarg4_)
public static final long new_FilterCatalogEntry_Vect__SWIG_0()
public static final long new_FilterCatalogEntry_Vect__SWIG_1(long jarg1)
public static final long FilterCatalogEntry_Vect_size(long jarg1, FilterCatalogEntry_Vect jarg1_)
public static final long FilterCatalogEntry_Vect_capacity(long jarg1, FilterCatalogEntry_Vect jarg1_)
public static final void FilterCatalogEntry_Vect_reserve(long jarg1, FilterCatalogEntry_Vect jarg1_, long jarg2)
public static final boolean FilterCatalogEntry_Vect_isEmpty(long jarg1, FilterCatalogEntry_Vect jarg1_)
public static final void FilterCatalogEntry_Vect_clear(long jarg1, FilterCatalogEntry_Vect jarg1_)
public static final void FilterCatalogEntry_Vect_add(long jarg1, FilterCatalogEntry_Vect jarg1_, long jarg2, FilterCatalogEntry jarg2_)
public static final long FilterCatalogEntry_Vect_get(long jarg1, FilterCatalogEntry_Vect jarg1_, int jarg2)
public static final void FilterCatalogEntry_Vect_set(long jarg1, FilterCatalogEntry_Vect jarg1_, int jarg2, long jarg3, FilterCatalogEntry jarg3_)
public static final boolean FilterCatalogEntry_Vect_equals(long jarg1, FilterCatalogEntry_Vect jarg1_, long jarg2, FilterCatalogEntry_Vect jarg2_)
public static final void delete_FilterCatalogEntry_Vect(long jarg1)
public static final long new_FilterCatalogEntry_VectVect__SWIG_0()
public static final long new_FilterCatalogEntry_VectVect__SWIG_1(long jarg1)
public static final long FilterCatalogEntry_VectVect_size(long jarg1, FilterCatalogEntry_VectVect jarg1_)
public static final long FilterCatalogEntry_VectVect_capacity(long jarg1, FilterCatalogEntry_VectVect jarg1_)
public static final void FilterCatalogEntry_VectVect_reserve(long jarg1, FilterCatalogEntry_VectVect jarg1_, long jarg2)
public static final boolean FilterCatalogEntry_VectVect_isEmpty(long jarg1, FilterCatalogEntry_VectVect jarg1_)
public static final void FilterCatalogEntry_VectVect_clear(long jarg1, FilterCatalogEntry_VectVect jarg1_)
public static final void FilterCatalogEntry_VectVect_add(long jarg1, FilterCatalogEntry_VectVect jarg1_, long jarg2)
public static final long FilterCatalogEntry_VectVect_get(long jarg1, FilterCatalogEntry_VectVect jarg1_, int jarg2)
public static final void FilterCatalogEntry_VectVect_set(long jarg1, FilterCatalogEntry_VectVect jarg1_, int jarg2, long jarg3)
public static final boolean FilterCatalogEntry_VectVect_equals(long jarg1, FilterCatalogEntry_VectVect jarg1_, long jarg2, FilterCatalogEntry_VectVect jarg2_)
public static final void delete_FilterCatalogEntry_VectVect(long jarg1)
public static final long new_FilterCatalogEntryVect__SWIG_0()
public static final long new_FilterCatalogEntryVect__SWIG_1(long jarg1)
public static final long FilterCatalogEntryVect_size(long jarg1, FilterCatalogEntryVect jarg1_)
public static final long FilterCatalogEntryVect_capacity(long jarg1, FilterCatalogEntryVect jarg1_)
public static final void FilterCatalogEntryVect_reserve(long jarg1, FilterCatalogEntryVect jarg1_, long jarg2)
public static final boolean FilterCatalogEntryVect_isEmpty(long jarg1, FilterCatalogEntryVect jarg1_)
public static final void FilterCatalogEntryVect_clear(long jarg1, FilterCatalogEntryVect jarg1_)
public static final void FilterCatalogEntryVect_add(long jarg1, FilterCatalogEntryVect jarg1_, long jarg2, FilterCatalogEntry jarg2_)
public static final long FilterCatalogEntryVect_get(long jarg1, FilterCatalogEntryVect jarg1_, int jarg2)
public static final void FilterCatalogEntryVect_set(long jarg1, FilterCatalogEntryVect jarg1_, int jarg2, long jarg3, FilterCatalogEntry jarg3_)
public static final boolean FilterCatalogEntryVect_equals(long jarg1, FilterCatalogEntryVect jarg1_, long jarg2, FilterCatalogEntryVect jarg2_)
public static final void delete_FilterCatalogEntryVect(long jarg1)
public static final long new_FilterMatch_Vect__SWIG_0()
public static final long new_FilterMatch_Vect__SWIG_1(long jarg1)
public static final long FilterMatch_Vect_size(long jarg1, FilterMatch_Vect jarg1_)
public static final long FilterMatch_Vect_capacity(long jarg1, FilterMatch_Vect jarg1_)
public static final void FilterMatch_Vect_reserve(long jarg1, FilterMatch_Vect jarg1_, long jarg2)
public static final boolean FilterMatch_Vect_isEmpty(long jarg1, FilterMatch_Vect jarg1_)
public static final void FilterMatch_Vect_clear(long jarg1, FilterMatch_Vect jarg1_)
public static final void FilterMatch_Vect_add(long jarg1, FilterMatch_Vect jarg1_, long jarg2, FilterMatch jarg2_)
public static final long FilterMatch_Vect_get(long jarg1, FilterMatch_Vect jarg1_, int jarg2)
public static final void FilterMatch_Vect_set(long jarg1, FilterMatch_Vect jarg1_, int jarg2, long jarg3, FilterMatch jarg3_)
public static final boolean FilterMatch_Vect_equals(long jarg1, FilterMatch_Vect jarg1_, long jarg2, FilterMatch_Vect jarg2_)
public static final void delete_FilterMatch_Vect(long jarg1)
public static final int versionMajor_get()
public static final int versionMinor_get()
public static final int versionPatch_get()
public static final int endianId_get()
public static final void delete_CatalogParams(long jarg1)
public static final java.lang.String CatalogParams_getTypeStr(long jarg1, CatalogParams jarg1_)
public static final void CatalogParams_setTypeStr(long jarg1, CatalogParams jarg1_, java.lang.String jarg2)
public static final void CatalogParams_toStream(long jarg1, CatalogParams jarg1_, long jarg2)
public static final java.lang.String CatalogParams_Serialize(long jarg1, CatalogParams jarg1_)
public static final void CatalogParams_initFromStream(long jarg1, CatalogParams jarg1_, long jarg2)
public static final void CatalogParams_initFromString(long jarg1, CatalogParams jarg1_, java.lang.String jarg2)
public static final void FilterMatch_filterMatch_set(long jarg1, FilterMatch jarg1_, long jarg2)
public static final long FilterMatch_filterMatch_get(long jarg1, FilterMatch jarg1_)
public static final void FilterMatch_atomPairs_set(long jarg1, FilterMatch jarg1_, long jarg2, Match_Vect jarg2_)
public static final long FilterMatch_atomPairs_get(long jarg1, FilterMatch jarg1_)
public static final long new_FilterMatch__SWIG_0()
public static final long new_FilterMatch__SWIG_1(long jarg1, long jarg2, Match_Vect jarg2_)
public static final long new_FilterMatch__SWIG_2(long jarg1, FilterMatch jarg1_)
public static final long FilterMatch_getAtomMatches(long jarg1, FilterMatch jarg1_)
public static final void delete_FilterMatch(long jarg1)
public static final void DEFAULT_FILTERMATCHERBASE_NAME_set(java.lang.String jarg1)
public static final java.lang.String DEFAULT_FILTERMATCHERBASE_NAME_get()
public static final void delete_FilterMatcherBase(long jarg1)
public static final boolean FilterMatcherBase_isValid(long jarg1, FilterMatcherBase jarg1_)
public static final java.lang.String FilterMatcherBase_getName(long jarg1, FilterMatcherBase jarg1_)
public static final boolean FilterMatcherBase_getMatches(long jarg1, FilterMatcherBase jarg1_, long jarg2, ROMol jarg2_, long jarg3, FilterMatch_Vect jarg3_)
public static final boolean FilterMatcherBase_hasMatch(long jarg1, FilterMatcherBase jarg1_, long jarg2, ROMol jarg2_)
public static final long FilterMatcherBase_Clone(long jarg1, FilterMatcherBase jarg1_)
public static final long FilterMatcherBase_copy(long jarg1, FilterMatcherBase jarg1_)
public static final long new_FilterCatalogEntry__SWIG_0()
public static final long new_FilterCatalogEntry__SWIG_1(java.lang.String jarg1, long jarg2, FilterMatcherBase jarg2_)
public static final long new_FilterCatalogEntry__SWIG_2(java.lang.String jarg1, long jarg2)
public static final long new_FilterCatalogEntry__SWIG_3(long jarg1, FilterCatalogEntry jarg1_)
public static final void delete_FilterCatalogEntry(long jarg1)
public static final boolean FilterCatalogEntry_isValid(long jarg1, FilterCatalogEntry jarg1_)
public static final java.lang.String FilterCatalogEntry_getDescription(long jarg1, FilterCatalogEntry jarg1_)
public static final void FilterCatalogEntry_setDescription(long jarg1, FilterCatalogEntry jarg1_, java.lang.String jarg2)
public static final long FilterCatalogEntry_getPropList(long jarg1, FilterCatalogEntry jarg1_)
public static final boolean FilterCatalogEntry_hasProp__SWIG_0(long jarg1, FilterCatalogEntry jarg1_, java.lang.String jarg2)
public static final void FilterCatalogEntry_clearProp__SWIG_0(long jarg1, FilterCatalogEntry jarg1_, java.lang.String jarg2)
public static final long FilterCatalogEntry_getProps__SWIG_0(long jarg1, FilterCatalogEntry jarg1_)
public static final void FilterCatalogEntry_setProps(long jarg1, FilterCatalogEntry jarg1_, long jarg2, Dict jarg2_)
public static final boolean FilterCatalogEntry_getFilterMatches__SWIG_0(long jarg1, FilterCatalogEntry jarg1_, long jarg2, ROMol jarg2_, long jarg3, FilterMatch_Vect jarg3_)
public static final boolean FilterCatalogEntry_hasFilterMatch(long jarg1, FilterCatalogEntry jarg1_, long jarg2, ROMol jarg2_)
public static final void FilterCatalogEntry_toStream(long jarg1, FilterCatalogEntry jarg1_, long jarg2)
public static final java.lang.String FilterCatalogEntry_Serialize(long jarg1, FilterCatalogEntry jarg1_)
public static final void FilterCatalogEntry_initFromStream(long jarg1, FilterCatalogEntry jarg1_, long jarg2)
public static final void FilterCatalogEntry_initFromString(long jarg1, FilterCatalogEntry jarg1_, java.lang.String jarg2)
public static final java.lang.String FilterCatalogEntry_getProp(long jarg1, FilterCatalogEntry jarg1_, java.lang.String jarg2)
public static final long FilterCatalogEntry_getFilterMatches__SWIG_1(long jarg1, FilterCatalogEntry jarg1_, long jarg2, ROMol jarg2_)
public static final int FilterCatalogParams_PAINS_A_get()
public static final int FilterCatalogParams_PAINS_B_get()
public static final int FilterCatalogParams_PAINS_C_get()
public static final int FilterCatalogParams_PAINS_get()
public static final int FilterCatalogParams_BRENK_get()
public static final int FilterCatalogParams_NIH_get()
public static final int FilterCatalogParams_ZINC_get()
public static final int FilterCatalogParams_ALL_get()
public static final long new_FilterCatalogParams__SWIG_0()
public static final long new_FilterCatalogParams__SWIG_1(int jarg1)
public static final long new_FilterCatalogParams__SWIG_2(long jarg1, FilterCatalogParams jarg1_)
public static final void delete_FilterCatalogParams(long jarg1)
public static final boolean FilterCatalogParams_addCatalog(long jarg1, FilterCatalogParams jarg1_, int jarg2)
public static final long FilterCatalogParams_getCatalogs(long jarg1, FilterCatalogParams jarg1_)
public static final void FilterCatalogParams_fillCatalog(long jarg1, FilterCatalogParams jarg1_, long jarg2, FilterCatalog jarg2_)
public static final void FilterCatalogParams_toStream(long jarg1, FilterCatalogParams jarg1_, long jarg2)
public static final java.lang.String FilterCatalogParams_Serialize(long jarg1, FilterCatalogParams jarg1_)
public static final void FilterCatalogParams_initFromStream(long jarg1, FilterCatalogParams jarg1_, long jarg2)
public static final void FilterCatalogParams_initFromString(long jarg1, FilterCatalogParams jarg1_, java.lang.String jarg2)
public static final long new_FilterCatalog__SWIG_0()
public static final long new_FilterCatalog__SWIG_1(int jarg1)
public static final long new_FilterCatalog__SWIG_2(long jarg1, FilterCatalogParams jarg1_)
public static final long new_FilterCatalog__SWIG_3(long jarg1, FilterCatalog jarg1_)
public static final long new_FilterCatalog__SWIG_4(java.lang.String jarg1)
public static final void delete_FilterCatalog(long jarg1)
public static final byte[] FilterCatalog_Serialize(long jarg1, FilterCatalog jarg1_)
public static final long FilterCatalog_getNumEntries(long jarg1, FilterCatalog jarg1_)
public static final boolean FilterCatalog_hasMatch(long jarg1, FilterCatalog jarg1_, long jarg2, ROMol jarg2_)
public static final long FilterCatalog_getFilterMatches(long jarg1, FilterCatalog jarg1_, long jarg2, ROMol jarg2_)
public static final long new_FilterCatalog__SWIG_5(long jarg1, UChar_Vect jarg1_)
public static final boolean FilterCatalog_canSerialize(long jarg1, FilterCatalog jarg1_)
public static final long FilterCatalog_getFirstMatch(long jarg1, FilterCatalog jarg1_, long jarg2, ROMol jarg2_)
public static final long FilterCatalog_getMatches(long jarg1, FilterCatalog jarg1_, long jarg2, ROMol jarg2_)
public static final long FilterCatalog_addEntry(long jarg1, FilterCatalog jarg1_, long jarg2, FilterCatalogEntry jarg2_)
public static final boolean FilterCatalog_removeEntry(long jarg1, FilterCatalog jarg1_, long jarg2, FilterCatalogEntry jarg2_)
public static final long FilterCatalog_getEntry(long jarg1, FilterCatalog jarg1_, long jarg2)
public static final long FilterCatalog_getIdxForEntry(long jarg1, FilterCatalog jarg1_, long jarg2, FilterCatalogEntry jarg2_)
public static final boolean FilterCatalogCanSerialize()
public static final long RunFilterCatalog__SWIG_0(long jarg1, FilterCatalog jarg1_, long jarg2, Str_Vect jarg2_, int jarg3)
public static final long RunFilterCatalog__SWIG_1(long jarg1, FilterCatalog jarg1_, long jarg2, Str_Vect jarg2_)
public static final long new_Snapshot__SWIG_0(long jarg1, Shared_Double_Array jarg1_, double jarg2)
public static final long new_Snapshot__SWIG_1(long jarg1, Shared_Double_Array jarg1_)
public static final long Snapshot_trajectory(long jarg1, Snapshot jarg1_)
public static final long Snapshot_getPoint2D(long jarg1, Snapshot jarg1_, long jarg2)
public static final long Snapshot_getPoint3D(long jarg1, Snapshot jarg1_, long jarg2)
public static final double Snapshot_getEnergy(long jarg1, Snapshot jarg1_)
public static final void Snapshot_setEnergy(long jarg1, Snapshot jarg1_, double jarg2)
public static final long new_Snapshot__SWIG_2(long jarg1, Double_Vect jarg1_, double jarg2)
public static final long new_Snapshot__SWIG_3(long jarg1, Double_Vect jarg1_)
public static final long new_Snapshot__SWIG_4(long jarg1, Snapshot jarg1_)
public static final long Snapshot_SnapshotVect()
public static final void delete_Snapshot(long jarg1)
public static final long new_Trajectory__SWIG_0(long jarg1, long jarg2, long jarg3)
public static final long new_Trajectory__SWIG_1(long jarg1, long jarg2)
public static final long new_Trajectory__SWIG_2(long jarg1, Trajectory jarg1_)
public static final long Trajectory_dimension(long jarg1, Trajectory jarg1_)
public static final long Trajectory_numPoints(long jarg1, Trajectory jarg1_)
public static final long Trajectory_size(long jarg1, Trajectory jarg1_)
public static final long Trajectory_addSnapshot(long jarg1, Trajectory jarg1_, long jarg2, Snapshot jarg2_)
public static final long Trajectory_getSnapshot(long jarg1, Trajectory jarg1_, long jarg2)
public static final long Trajectory_insertSnapshot(long jarg1, Trajectory jarg1_, long jarg2, long jarg3, Snapshot jarg3_)
public static final long Trajectory_removeSnapshot(long jarg1, Trajectory jarg1_, long jarg2)
public static final void Trajectory_clear(long jarg1, Trajectory jarg1_)
public static final long Trajectory_addConformersToMol__SWIG_0(long jarg1, Trajectory jarg1_, long jarg2, ROMol jarg2_, int jarg3, int jarg4)
public static final long Trajectory_addConformersToMol__SWIG_1(long jarg1, Trajectory jarg1_, long jarg2, ROMol jarg2_, int jarg3)
public static final long Trajectory_addConformersToMol__SWIG_2(long jarg1, Trajectory jarg1_, long jarg2, ROMol jarg2_)
public static final void delete_Trajectory(long jarg1)
public static final long readAmberTrajectory(java.lang.String jarg1, long jarg2, Trajectory jarg2_)
public static final long readGromosTrajectory(java.lang.String jarg1, long jarg2, Trajectory jarg2_)
public static final void CleanupParameters_rdbase_set(long jarg1, CleanupParameters jarg1_, java.lang.String jarg2)
public static final java.lang.String CleanupParameters_rdbase_get(long jarg1, CleanupParameters jarg1_)
public static final void CleanupParameters_normalizations_set(long jarg1, CleanupParameters jarg1_, java.lang.String jarg2)
public static final java.lang.String CleanupParameters_normalizations_get(long jarg1, CleanupParameters jarg1_)
public static final void CleanupParameters_acidbaseFile_set(long jarg1, CleanupParameters jarg1_, java.lang.String jarg2)
public static final java.lang.String CleanupParameters_acidbaseFile_get(long jarg1, CleanupParameters jarg1_)
public static final void CleanupParameters_fragmentFile_set(long jarg1, CleanupParameters jarg1_, java.lang.String jarg2)
public static final java.lang.String CleanupParameters_fragmentFile_get(long jarg1, CleanupParameters jarg1_)
public static final void CleanupParameters_tautomerTransforms_set(long jarg1, CleanupParameters jarg1_, java.lang.String jarg2)
public static final java.lang.String CleanupParameters_tautomerTransforms_get(long jarg1, CleanupParameters jarg1_)
public static final void CleanupParameters_maxRestarts_set(long jarg1, CleanupParameters jarg1_, int jarg2)
public static final int CleanupParameters_maxRestarts_get(long jarg1, CleanupParameters jarg1_)
public static final void CleanupParameters_maxTautomers_set(long jarg1, CleanupParameters jarg1_, int jarg2)
public static final int CleanupParameters_maxTautomers_get(long jarg1, CleanupParameters jarg1_)
public static final void CleanupParameters_preferOrganic_set(long jarg1, CleanupParameters jarg1_, boolean jarg2)
public static final boolean CleanupParameters_preferOrganic_get(long jarg1, CleanupParameters jarg1_)
public static final void CleanupParameters_doCanonical_set(long jarg1, CleanupParameters jarg1_, boolean jarg2)
public static final boolean CleanupParameters_doCanonical_get(long jarg1, CleanupParameters jarg1_)
public static final long new_CleanupParameters()
public static final void delete_CleanupParameters(long jarg1)
public static final long defaultCleanupParameters_get()
public static final long cleanup__SWIG_0(long jarg1, RWMol jarg1_, long jarg2, CleanupParameters jarg2_)
public static final long cleanup__SWIG_1(long jarg1, RWMol jarg1_)
public static final void tautomerParent__SWIG_0(long jarg1, RWMol jarg1_, long jarg2, CleanupParameters jarg2_)
public static final void tautomerParent__SWIG_1(long jarg1, RWMol jarg1_)
public static final long fragmentParent__SWIG_0(long jarg1, RWMol jarg1_, long jarg2, CleanupParameters jarg2_, boolean jarg3)
public static final long fragmentParent__SWIG_1(long jarg1, RWMol jarg1_, long jarg2, CleanupParameters jarg2_)
public static final long fragmentParent__SWIG_2(long jarg1, RWMol jarg1_)
public static final void stereoParent__SWIG_0(long jarg1, RWMol jarg1_, long jarg2, CleanupParameters jarg2_)
public static final void stereoParent__SWIG_1(long jarg1, RWMol jarg1_)
public static final void isotopeParent__SWIG_0(long jarg1, RWMol jarg1_, long jarg2, CleanupParameters jarg2_)
public static final void isotopeParent__SWIG_1(long jarg1, RWMol jarg1_)
public static final long chargeParent__SWIG_0(long jarg1, RWMol jarg1_, long jarg2, CleanupParameters jarg2_, boolean jarg3)
public static final long chargeParent__SWIG_1(long jarg1, RWMol jarg1_, long jarg2, CleanupParameters jarg2_)
public static final long chargeParent__SWIG_2(long jarg1, RWMol jarg1_)
public static final void superParent__SWIG_0(long jarg1, RWMol jarg1_, long jarg2, CleanupParameters jarg2_)
public static final void superParent__SWIG_1(long jarg1, RWMol jarg1_)
public static final long normalize__SWIG_0(long jarg1, RWMol jarg1_, long jarg2, CleanupParameters jarg2_)
public static final long normalize__SWIG_1(long jarg1, RWMol jarg1_)
public static final long reionize__SWIG_0(long jarg1, RWMol jarg1_, long jarg2, CleanupParameters jarg2_)
public static final long reionize__SWIG_1(long jarg1, RWMol jarg1_)
public static final java.lang.String standardizeSmiles(java.lang.String jarg1)
public static final long enumerateTautomerSmiles__SWIG_0(java.lang.String jarg1, long jarg2, CleanupParameters jarg2_)
public static final long enumerateTautomerSmiles__SWIG_1(java.lang.String jarg1)
public static final boolean SubstructLibraryCanSerialize()
public static final void delete_MolHolderBase(long jarg1)
public static final long MolHolderBase_addMol(long jarg1, MolHolderBase jarg1_, long jarg2, ROMol jarg2_)
public static final long MolHolderBase_getMol(long jarg1, MolHolderBase jarg1_, long jarg2)
public static final long MolHolderBase_size(long jarg1, MolHolderBase jarg1_)
public static final long new_MolHolder()
public static final long MolHolder_addMol(long jarg1, MolHolder jarg1_, long jarg2, ROMol jarg2_)
public static final long MolHolder_getMol(long jarg1, MolHolder jarg1_, long jarg2)
public static final long MolHolder_size(long jarg1, MolHolder jarg1_)
public static final long MolHolder_getMols__SWIG_0(long jarg1, MolHolder jarg1_)
public static final void delete_MolHolder(long jarg1)
public static final long new_CachedMolHolder()
public static final long CachedMolHolder_addMol(long jarg1, CachedMolHolder jarg1_, long jarg2, ROMol jarg2_)
public static final long CachedMolHolder_addBinary(long jarg1, CachedMolHolder jarg1_, java.lang.String jarg2)
public static final long CachedMolHolder_getMol(long jarg1, CachedMolHolder jarg1_, long jarg2)
public static final long CachedMolHolder_size(long jarg1, CachedMolHolder jarg1_)
public static final long CachedMolHolder_getMols__SWIG_0(long jarg1, CachedMolHolder jarg1_)
public static final void delete_CachedMolHolder(long jarg1)
public static final long new_CachedSmilesMolHolder()
public static final long CachedSmilesMolHolder_addMol(long jarg1, CachedSmilesMolHolder jarg1_, long jarg2, ROMol jarg2_)
public static final long CachedSmilesMolHolder_addSmiles(long jarg1, CachedSmilesMolHolder jarg1_, java.lang.String jarg2)
public static final long CachedSmilesMolHolder_getMol(long jarg1, CachedSmilesMolHolder jarg1_, long jarg2)
public static final long CachedSmilesMolHolder_size(long jarg1, CachedSmilesMolHolder jarg1_)
public static final long CachedSmilesMolHolder_getMols__SWIG_0(long jarg1, CachedSmilesMolHolder jarg1_)
public static final void delete_CachedSmilesMolHolder(long jarg1)
public static final long new_CachedTrustedSmilesMolHolder()
public static final long CachedTrustedSmilesMolHolder_addMol(long jarg1, CachedTrustedSmilesMolHolder jarg1_, long jarg2, ROMol jarg2_)
public static final long CachedTrustedSmilesMolHolder_addSmiles(long jarg1, CachedTrustedSmilesMolHolder jarg1_, java.lang.String jarg2)
public static final long CachedTrustedSmilesMolHolder_getMol(long jarg1, CachedTrustedSmilesMolHolder jarg1_, long jarg2)
public static final long CachedTrustedSmilesMolHolder_size(long jarg1, CachedTrustedSmilesMolHolder jarg1_)
public static final long CachedTrustedSmilesMolHolder_getMols__SWIG_0(long jarg1, CachedTrustedSmilesMolHolder jarg1_)
public static final void delete_CachedTrustedSmilesMolHolder(long jarg1)
public static final void delete_FPHolderBase(long jarg1)
public static final long FPHolderBase_addMol(long jarg1, FPHolderBase jarg1_, long jarg2, ROMol jarg2_)
public static final long FPHolderBase_addFingerprint(long jarg1, FPHolderBase jarg1_, long jarg2, ExplicitBitVect jarg2_)
public static final boolean FPHolderBase_passesFilter(long jarg1, FPHolderBase jarg1_, long jarg2, long jarg3, ExplicitBitVect jarg3_)
public static final long FPHolderBase_getFingerprint(long jarg1, FPHolderBase jarg1_, long jarg2)
public static final long FPHolderBase_makeFingerprint(long jarg1, FPHolderBase jarg1_, long jarg2, ROMol jarg2_)
public static final long FPHolderBase_getFingerprints__SWIG_0(long jarg1, FPHolderBase jarg1_)
public static final long PatternHolder_makeFingerprint(long jarg1, PatternHolder jarg1_, long jarg2, ROMol jarg2_)
public static final long new_PatternHolder()
public static final void delete_PatternHolder(long jarg1)
public static final long new_SubstructLibrary__SWIG_0()
public static final long new_SubstructLibrary__SWIG_1(long jarg1, MolHolderBase jarg1_)
public static final long new_SubstructLibrary__SWIG_2(long jarg1, MolHolderBase jarg1_, long jarg2, FPHolderBase jarg2_)
public static final long new_SubstructLibrary__SWIG_3(java.lang.String jarg1)
public static final long SubstructLibrary_getMolHolder__SWIG_0(long jarg1, SubstructLibrary jarg1_)
public static final long SubstructLibrary_getFpHolder__SWIG_0(long jarg1, SubstructLibrary jarg1_)
public static final long SubstructLibrary_getMolecules(long jarg1, SubstructLibrary jarg1_)
public static final long SubstructLibrary_getFingerprints__SWIG_0(long jarg1, SubstructLibrary jarg1_)
public static final long SubstructLibrary_addMol(long jarg1, SubstructLibrary jarg1_, long jarg2, ROMol jarg2_)
public static final long SubstructLibrary_getMatches__SWIG_0(long jarg1, SubstructLibrary jarg1_, long jarg2, ROMol jarg2_, boolean jarg3, boolean jarg4, boolean jarg5, int jarg6, int jarg7)
public static final long SubstructLibrary_getMatches__SWIG_1(long jarg1, SubstructLibrary jarg1_, long jarg2, ROMol jarg2_, boolean jarg3, boolean jarg4, boolean jarg5, int jarg6)
public static final long SubstructLibrary_getMatches__SWIG_2(long jarg1, SubstructLibrary jarg1_, long jarg2, ROMol jarg2_, boolean jarg3, boolean jarg4, boolean jarg5)
public static final long SubstructLibrary_getMatches__SWIG_3(long jarg1, SubstructLibrary jarg1_, long jarg2, ROMol jarg2_, boolean jarg3, boolean jarg4)
public static final long SubstructLibrary_getMatches__SWIG_4(long jarg1, SubstructLibrary jarg1_, long jarg2, ROMol jarg2_, boolean jarg3)
public static final long SubstructLibrary_getMatches__SWIG_5(long jarg1, SubstructLibrary jarg1_, long jarg2, ROMol jarg2_)
public static final long SubstructLibrary_getMatches__SWIG_6(long jarg1, SubstructLibrary jarg1_, long jarg2, ROMol jarg2_, long jarg3, long jarg4, boolean jarg5, boolean jarg6, boolean jarg7, int jarg8, int jarg9)
public static final long SubstructLibrary_getMatches__SWIG_7(long jarg1, SubstructLibrary jarg1_, long jarg2, ROMol jarg2_, long jarg3, long jarg4, boolean jarg5, boolean jarg6, boolean jarg7, int jarg8)
public static final long SubstructLibrary_getMatches__SWIG_8(long jarg1, SubstructLibrary jarg1_, long jarg2, ROMol jarg2_, long jarg3, long jarg4, boolean jarg5, boolean jarg6, boolean jarg7)
public static final long SubstructLibrary_getMatches__SWIG_9(long jarg1, SubstructLibrary jarg1_, long jarg2, ROMol jarg2_, long jarg3, long jarg4, boolean jarg5, boolean jarg6)
public static final long SubstructLibrary_getMatches__SWIG_10(long jarg1, SubstructLibrary jarg1_, long jarg2, ROMol jarg2_, long jarg3, long jarg4, boolean jarg5)
public static final long SubstructLibrary_getMatches__SWIG_11(long jarg1, SubstructLibrary jarg1_, long jarg2, ROMol jarg2_, long jarg3, long jarg4)
public static final long SubstructLibrary_countMatches__SWIG_0(long jarg1, SubstructLibrary jarg1_, long jarg2, ROMol jarg2_, boolean jarg3, boolean jarg4, boolean jarg5, int jarg6)
public static final long SubstructLibrary_countMatches__SWIG_1(long jarg1, SubstructLibrary jarg1_, long jarg2, ROMol jarg2_, boolean jarg3, boolean jarg4, boolean jarg5)
public static final long SubstructLibrary_countMatches__SWIG_2(long jarg1, SubstructLibrary jarg1_, long jarg2, ROMol jarg2_, boolean jarg3, boolean jarg4)
public static final long SubstructLibrary_countMatches__SWIG_3(long jarg1, SubstructLibrary jarg1_, long jarg2, ROMol jarg2_, boolean jarg3)
public static final long SubstructLibrary_countMatches__SWIG_4(long jarg1, SubstructLibrary jarg1_, long jarg2, ROMol jarg2_)
public static final long SubstructLibrary_countMatches__SWIG_5(long jarg1, SubstructLibrary jarg1_, long jarg2, ROMol jarg2_, long jarg3, long jarg4, boolean jarg5, boolean jarg6, boolean jarg7, int jarg8)
public static final long SubstructLibrary_countMatches__SWIG_6(long jarg1, SubstructLibrary jarg1_, long jarg2, ROMol jarg2_, long jarg3, long jarg4, boolean jarg5, boolean jarg6, boolean jarg7)
public static final long SubstructLibrary_countMatches__SWIG_7(long jarg1, SubstructLibrary jarg1_, long jarg2, ROMol jarg2_, long jarg3, long jarg4, boolean jarg5, boolean jarg6)
public static final long SubstructLibrary_countMatches__SWIG_8(long jarg1, SubstructLibrary jarg1_, long jarg2, ROMol jarg2_, long jarg3, long jarg4, boolean jarg5)
public static final long SubstructLibrary_countMatches__SWIG_9(long jarg1, SubstructLibrary jarg1_, long jarg2, ROMol jarg2_, long jarg3, long jarg4)
public static final boolean SubstructLibrary_hasMatch__SWIG_0(long jarg1, SubstructLibrary jarg1_, long jarg2, ROMol jarg2_, boolean jarg3, boolean jarg4, boolean jarg5, int jarg6)
public static final boolean SubstructLibrary_hasMatch__SWIG_1(long jarg1, SubstructLibrary jarg1_, long jarg2, ROMol jarg2_, boolean jarg3, boolean jarg4, boolean jarg5)
public static final boolean SubstructLibrary_hasMatch__SWIG_2(long jarg1, SubstructLibrary jarg1_, long jarg2, ROMol jarg2_, boolean jarg3, boolean jarg4)
public static final boolean SubstructLibrary_hasMatch__SWIG_3(long jarg1, SubstructLibrary jarg1_, long jarg2, ROMol jarg2_, boolean jarg3)
public static final boolean SubstructLibrary_hasMatch__SWIG_4(long jarg1, SubstructLibrary jarg1_, long jarg2, ROMol jarg2_)
public static final boolean SubstructLibrary_hasMatch__SWIG_5(long jarg1, SubstructLibrary jarg1_, long jarg2, ROMol jarg2_, long jarg3, long jarg4, boolean jarg5, boolean jarg6, boolean jarg7, int jarg8)
public static final boolean SubstructLibrary_hasMatch__SWIG_6(long jarg1, SubstructLibrary jarg1_, long jarg2, ROMol jarg2_, long jarg3, long jarg4, boolean jarg5, boolean jarg6, boolean jarg7)
public static final boolean SubstructLibrary_hasMatch__SWIG_7(long jarg1, SubstructLibrary jarg1_, long jarg2, ROMol jarg2_, long jarg3, long jarg4, boolean jarg5, boolean jarg6)
public static final boolean SubstructLibrary_hasMatch__SWIG_8(long jarg1, SubstructLibrary jarg1_, long jarg2, ROMol jarg2_, long jarg3, long jarg4, boolean jarg5)
public static final boolean SubstructLibrary_hasMatch__SWIG_9(long jarg1, SubstructLibrary jarg1_, long jarg2, ROMol jarg2_, long jarg3, long jarg4)
public static final long SubstructLibrary_getMol(long jarg1, SubstructLibrary jarg1_, long jarg2)
public static final long SubstructLibrary_size(long jarg1, SubstructLibrary jarg1_)
public static final void SubstructLibrary_resetHolders(long jarg1, SubstructLibrary jarg1_)
public static final void SubstructLibrary_toStream(long jarg1, SubstructLibrary jarg1_, long jarg2)
public static final byte[] SubstructLibrary_Serialize(long jarg1, SubstructLibrary jarg1_)
public static final void SubstructLibrary_initFromStream(long jarg1, SubstructLibrary jarg1_, long jarg2)
public static final void SubstructLibrary_initFromString(long jarg1, SubstructLibrary jarg1_, java.lang.String jarg2)
public static final long new_SubstructLibrary__SWIG_4(long jarg1, UChar_Vect jarg1_)
public static final boolean SubstructLibrary_canSerialize(long jarg1, SubstructLibrary jarg1_)
public static final void delete_SubstructLibrary(long jarg1)
public static final long new_StringMolMap_Vect__SWIG_0()
public static final long new_StringMolMap_Vect__SWIG_1(long jarg1)
public static final long StringMolMap_Vect_size(long jarg1, StringMolMap_Vect jarg1_)
public static final long StringMolMap_Vect_capacity(long jarg1, StringMolMap_Vect jarg1_)
public static final void StringMolMap_Vect_reserve(long jarg1, StringMolMap_Vect jarg1_, long jarg2)
public static final boolean StringMolMap_Vect_isEmpty(long jarg1, StringMolMap_Vect jarg1_)
public static final void StringMolMap_Vect_clear(long jarg1, StringMolMap_Vect jarg1_)
public static final void StringMolMap_Vect_add(long jarg1, StringMolMap_Vect jarg1_, long jarg2, StringMolMap jarg2_)
public static final long StringMolMap_Vect_get(long jarg1, StringMolMap_Vect jarg1_, int jarg2)
public static final void StringMolMap_Vect_set(long jarg1, StringMolMap_Vect jarg1_, int jarg2, long jarg3, StringMolMap jarg3_)
public static final boolean StringMolMap_Vect_equals(long jarg1, StringMolMap_Vect jarg1_, long jarg2, StringMolMap_Vect jarg2_)
public static final void delete_StringMolMap_Vect(long jarg1)
public static final long new_StringROMol_VectMap__SWIG_0()
public static final long new_StringROMol_VectMap__SWIG_1(long jarg1, StringROMol_VectMap jarg1_)
public static final long StringROMol_VectMap_size(long jarg1, StringROMol_VectMap jarg1_)
public static final boolean StringROMol_VectMap_empty(long jarg1, StringROMol_VectMap jarg1_)
public static final void StringROMol_VectMap_clear(long jarg1, StringROMol_VectMap jarg1_)
public static final long StringROMol_VectMap_get(long jarg1, StringROMol_VectMap jarg1_, java.lang.String jarg2)
public static final void StringROMol_VectMap_set(long jarg1, StringROMol_VectMap jarg1_, java.lang.String jarg2, long jarg3, ROMol_Vect jarg3_)
public static final void StringROMol_VectMap_del(long jarg1, StringROMol_VectMap jarg1_, java.lang.String jarg2)
public static final boolean StringROMol_VectMap_has_key(long jarg1, StringROMol_VectMap jarg1_, java.lang.String jarg2)
public static final long StringROMol_VectMap_keys(long jarg1, StringROMol_VectMap jarg1_)
public static final void delete_StringROMol_VectMap(long jarg1)
public static final int IsotopeLabels_get()
public static final int AtomMapLabels_get()
public static final int AtomIndexLabels_get()
public static final int RelabelDuplicateLabels_get()
public static final int MDLRGroupLabels_get()
public static final int DummyAtomLabels_get()
public static final int AutoDetect_get()
public static final int Greedy_get()
public static final int GreedyChunks_get()
public static final int Exhaustive_get()
public static final int AtomMap_get()
public static final int Isotope_get()
public static final int MDLRGroup_get()
public static final int None_get()
public static final int MCS_get()
public static final void RGroupDecompositionParameters_labels_set(long jarg1, RGroupDecompositionParameters jarg1_, long jarg2)
public static final long RGroupDecompositionParameters_labels_get(long jarg1, RGroupDecompositionParameters jarg1_)
public static final void RGroupDecompositionParameters_matchingStrategy_set(long jarg1, RGroupDecompositionParameters jarg1_, long jarg2)
public static final long RGroupDecompositionParameters_matchingStrategy_get(long jarg1, RGroupDecompositionParameters jarg1_)
public static final void RGroupDecompositionParameters_rgroupLabelling_set(long jarg1, RGroupDecompositionParameters jarg1_, long jarg2)
public static final long RGroupDecompositionParameters_rgroupLabelling_get(long jarg1, RGroupDecompositionParameters jarg1_)
public static final void RGroupDecompositionParameters_alignment_set(long jarg1, RGroupDecompositionParameters jarg1_, long jarg2)
public static final long RGroupDecompositionParameters_alignment_get(long jarg1, RGroupDecompositionParameters jarg1_)
public static final void RGroupDecompositionParameters_chunkSize_set(long jarg1, RGroupDecompositionParameters jarg1_, long jarg2)
public static final long RGroupDecompositionParameters_chunkSize_get(long jarg1, RGroupDecompositionParameters jarg1_)
public static final void RGroupDecompositionParameters_onlyMatchAtRGroups_set(long jarg1, RGroupDecompositionParameters jarg1_, boolean jarg2)
public static final boolean RGroupDecompositionParameters_onlyMatchAtRGroups_get(long jarg1, RGroupDecompositionParameters jarg1_)
public static final void RGroupDecompositionParameters_removeAllHydrogenRGroups_set(long jarg1, RGroupDecompositionParameters jarg1_, boolean jarg2)
public static final boolean RGroupDecompositionParameters_removeAllHydrogenRGroups_get(long jarg1, RGroupDecompositionParameters jarg1_)
public static final void RGroupDecompositionParameters_removeHydrogensPostMatch_set(long jarg1, RGroupDecompositionParameters jarg1_, boolean jarg2)
public static final boolean RGroupDecompositionParameters_removeHydrogensPostMatch_get(long jarg1, RGroupDecompositionParameters jarg1_)
public static final long new_RGroupDecompositionParameters__SWIG_0(long jarg1, long jarg2, long jarg3, long jarg4, long jarg5, boolean jarg6, boolean jarg7, boolean jarg8)
public static final long new_RGroupDecompositionParameters__SWIG_1(long jarg1, long jarg2, long jarg3, long jarg4, long jarg5, boolean jarg6, boolean jarg7)
public static final long new_RGroupDecompositionParameters__SWIG_2(long jarg1, long jarg2, long jarg3, long jarg4, long jarg5, boolean jarg6)
public static final long new_RGroupDecompositionParameters__SWIG_3(long jarg1, long jarg2, long jarg3, long jarg4, long jarg5)
public static final long new_RGroupDecompositionParameters__SWIG_4(long jarg1, long jarg2, long jarg3, long jarg4)
public static final long new_RGroupDecompositionParameters__SWIG_5(long jarg1, long jarg2, long jarg3)
public static final long new_RGroupDecompositionParameters__SWIG_6(long jarg1, long jarg2)
public static final long new_RGroupDecompositionParameters__SWIG_7(long jarg1)
public static final long new_RGroupDecompositionParameters__SWIG_8()
public static final long RGroupDecompositionParameters_autoGetLabels(long jarg1, RGroupDecompositionParameters jarg1_, long jarg2, RWMol jarg2_)
public static final boolean RGroupDecompositionParameters_prepareCore(long jarg1, RGroupDecompositionParameters jarg1_, long jarg2, RWMol jarg2_, long jarg3, RWMol jarg3_)
public static final void delete_RGroupDecompositionParameters(long jarg1)
public static final long new_RGroupDecomposition__SWIG_0(long jarg1, ROMol jarg1_, long jarg2, RGroupDecompositionParameters jarg2_)
public static final long new_RGroupDecomposition__SWIG_1(long jarg1, ROMol jarg1_)
public static final long new_RGroupDecomposition__SWIG_2(long jarg1, ROMol_Vect jarg1_, long jarg2, RGroupDecompositionParameters jarg2_)
public static final long new_RGroupDecomposition__SWIG_3(long jarg1, ROMol_Vect jarg1_)
public static final void delete_RGroupDecomposition(long jarg1)
public static final int RGroupDecomposition_add(long jarg1, RGroupDecomposition jarg1_, long jarg2, ROMol jarg2_)
public static final boolean RGroupDecomposition_process(long jarg1, RGroupDecomposition jarg1_)
public static final long RGroupDecomposition_getRGroupLabels(long jarg1, RGroupDecomposition jarg1_)
public static final long RGroupDecomposition_getRGroupsAsRows(long jarg1, RGroupDecomposition jarg1_)
public static final long RGroupDecomposition_getRGroupsAsColumns(long jarg1, RGroupDecomposition jarg1_)
public static final long RGroupDecompose__SWIG_0(long jarg1, ROMol_Vect jarg1_, long jarg2, ROMol_Vect jarg2_, long jarg3, StringMolMap_Vect jarg3_, long jarg4, UInt_Vect jarg4_, long jarg5, RGroupDecompositionParameters jarg5_)
public static final long RGroupDecompose__SWIG_1(long jarg1, ROMol_Vect jarg1_, long jarg2, ROMol_Vect jarg2_, long jarg3, StringMolMap_Vect jarg3_, long jarg4, UInt_Vect jarg4_)
public static final long RGroupDecompose__SWIG_2(long jarg1, ROMol_Vect jarg1_, long jarg2, ROMol_Vect jarg2_, long jarg3, StringMolMap_Vect jarg3_)
public static final long RGroupDecompose__SWIG_3(long jarg1, ROMol_Vect jarg1_, long jarg2, ROMol_Vect jarg2_, long jarg3, StringROMol_VectMap jarg3_, long jarg4, UInt_Vect jarg4_, long jarg5, RGroupDecompositionParameters jarg5_)
public static final long RGroupDecompose__SWIG_4(long jarg1, ROMol_Vect jarg1_, long jarg2, ROMol_Vect jarg2_, long jarg3, StringROMol_VectMap jarg3_, long jarg4, UInt_Vect jarg4_)
public static final long RGroupDecompose__SWIG_5(long jarg1, ROMol_Vect jarg1_, long jarg2, ROMol_Vect jarg2_, long jarg3, StringROMol_VectMap jarg3_)
public static final int HashFunction_AnonymousGraph_get()
public static final int HashFunction_ElementGraph_get()
public static final int HashFunction_CanonicalSmiles_get()
public static final int HashFunction_MurckoScaffold_get()
public static final int HashFunction_ExtendedMurcko_get()
public static final int HashFunction_MolFormula_get()
public static final int HashFunction_AtomBondCounts_get()
public static final int HashFunction_DegreeVector_get()
public static final int HashFunction_Mesomer_get()
public static final int HashFunction_HetAtomTautomer_get()
public static final int HashFunction_HetAtomProtomer_get()
public static final int HashFunction_RedoxPair_get()
public static final int HashFunction_Regioisomer_get()
public static final int HashFunction_NetCharge_get()
public static final int HashFunction_SmallWorldIndexBR_get()
public static final int HashFunction_SmallWorldIndexBRL_get()
public static final int HashFunction_ArthorSubstructureOrder_get()
public static final java.lang.String MolHash(long jarg1, RWMol jarg1_, int jarg2)
public static final int StripType_AtomStereo_get()
public static final int StripType_BondStereo_get()
public static final int StripType_Isotope_get()
public static final int StripType_AtomMap_get()
public static final int StripType_Hydrogen_get()
public static final void Strip(long jarg1, RWMol jarg1_, long jarg2)
public static final void SplitMolecule(long jarg1, RWMol jarg1_, long jarg2)
public static final long new_Int_Vect__SWIG_0()
public static final long new_Int_Vect__SWIG_1(long jarg1)
public static final long Int_Vect_size(long jarg1, Int_Vect jarg1_)
public static final long Int_Vect_capacity(long jarg1, Int_Vect jarg1_)
public static final void Int_Vect_reserve(long jarg1, Int_Vect jarg1_, long jarg2)
public static final boolean Int_Vect_isEmpty(long jarg1, Int_Vect jarg1_)
public static final void Int_Vect_clear(long jarg1, Int_Vect jarg1_)
public static final void Int_Vect_add(long jarg1, Int_Vect jarg1_, int jarg2)
public static final int Int_Vect_get(long jarg1, Int_Vect jarg1_, int jarg2)
public static final void Int_Vect_set(long jarg1, Int_Vect jarg1_, int jarg2, int jarg3)
public static final boolean Int_Vect_equals(long jarg1, Int_Vect jarg1_, long jarg2, Int_Vect jarg2_)
public static final void delete_Int_Vect(long jarg1)
public static final long new_Byte_Vect__SWIG_0()
public static final long new_Byte_Vect__SWIG_1(long jarg1)
public static final long Byte_Vect_size(long jarg1, Byte_Vect jarg1_)
public static final long Byte_Vect_capacity(long jarg1, Byte_Vect jarg1_)
public static final void Byte_Vect_reserve(long jarg1, Byte_Vect jarg1_, long jarg2)
public static final boolean Byte_Vect_isEmpty(long jarg1, Byte_Vect jarg1_)
public static final void Byte_Vect_clear(long jarg1, Byte_Vect jarg1_)
public static final void Byte_Vect_add(long jarg1, Byte_Vect jarg1_, byte jarg2)
public static final byte Byte_Vect_get(long jarg1, Byte_Vect jarg1_, int jarg2)
public static final void Byte_Vect_set(long jarg1, Byte_Vect jarg1_, int jarg2, byte jarg3)
public static final boolean Byte_Vect_equals(long jarg1, Byte_Vect jarg1_, long jarg2, Byte_Vect jarg2_)
public static final void delete_Byte_Vect(long jarg1)
public static final long new_Double_Vect__SWIG_0()
public static final long new_Double_Vect__SWIG_1(long jarg1)
public static final long Double_Vect_size(long jarg1, Double_Vect jarg1_)
public static final long Double_Vect_capacity(long jarg1, Double_Vect jarg1_)
public static final void Double_Vect_reserve(long jarg1, Double_Vect jarg1_, long jarg2)
public static final boolean Double_Vect_isEmpty(long jarg1, Double_Vect jarg1_)
public static final void Double_Vect_clear(long jarg1, Double_Vect jarg1_)
public static final void Double_Vect_add(long jarg1, Double_Vect jarg1_, double jarg2)
public static final double Double_Vect_get(long jarg1, Double_Vect jarg1_, int jarg2)
public static final void Double_Vect_set(long jarg1, Double_Vect jarg1_, int jarg2, double jarg3)
public static final boolean Double_Vect_equals(long jarg1, Double_Vect jarg1_, long jarg2, Double_Vect jarg2_)
public static final void delete_Double_Vect(long jarg1)
public static final long new_UInt_Vect__SWIG_0()
public static final long new_UInt_Vect__SWIG_1(long jarg1)
public static final long UInt_Vect_size(long jarg1, UInt_Vect jarg1_)
public static final long UInt_Vect_capacity(long jarg1, UInt_Vect jarg1_)
public static final void UInt_Vect_reserve(long jarg1, UInt_Vect jarg1_, long jarg2)
public static final boolean UInt_Vect_isEmpty(long jarg1, UInt_Vect jarg1_)
public static final void UInt_Vect_clear(long jarg1, UInt_Vect jarg1_)
public static final void UInt_Vect_add(long jarg1, UInt_Vect jarg1_, long jarg2)
public static final long UInt_Vect_get(long jarg1, UInt_Vect jarg1_, int jarg2)
public static final void UInt_Vect_set(long jarg1, UInt_Vect jarg1_, int jarg2, long jarg3)
public static final boolean UInt_Vect_equals(long jarg1, UInt_Vect jarg1_, long jarg2, UInt_Vect jarg2_)
public static final void delete_UInt_Vect(long jarg1)
public static final long new_Str_Vect__SWIG_0()
public static final long new_Str_Vect__SWIG_1(long jarg1)
public static final long Str_Vect_size(long jarg1, Str_Vect jarg1_)
public static final long Str_Vect_capacity(long jarg1, Str_Vect jarg1_)
public static final void Str_Vect_reserve(long jarg1, Str_Vect jarg1_, long jarg2)
public static final boolean Str_Vect_isEmpty(long jarg1, Str_Vect jarg1_)
public static final void Str_Vect_clear(long jarg1, Str_Vect jarg1_)
public static final void Str_Vect_add(long jarg1, Str_Vect jarg1_, java.lang.String jarg2)
public static final java.lang.String Str_Vect_get(long jarg1, Str_Vect jarg1_, int jarg2)
public static final void Str_Vect_set(long jarg1, Str_Vect jarg1_, int jarg2, java.lang.String jarg3)
public static final boolean Str_Vect_equals(long jarg1, Str_Vect jarg1_, long jarg2, Str_Vect jarg2_)
public static final void delete_Str_Vect(long jarg1)
public static final long new_Point_Vect__SWIG_0()
public static final long new_Point_Vect__SWIG_1(long jarg1)
public static final long Point_Vect_size(long jarg1, Point_Vect jarg1_)
public static final long Point_Vect_capacity(long jarg1, Point_Vect jarg1_)
public static final void Point_Vect_reserve(long jarg1, Point_Vect jarg1_, long jarg2)
public static final boolean Point_Vect_isEmpty(long jarg1, Point_Vect jarg1_)
public static final void Point_Vect_clear(long jarg1, Point_Vect jarg1_)
public static final void Point_Vect_add(long jarg1, Point_Vect jarg1_, long jarg2, Point jarg2_)
public static final long Point_Vect_get(long jarg1, Point_Vect jarg1_, int jarg2)
public static final void Point_Vect_set(long jarg1, Point_Vect jarg1_, int jarg2, long jarg3, Point jarg3_)
public static final boolean Point_Vect_equals(long jarg1, Point_Vect jarg1_, long jarg2, Point_Vect jarg2_)
public static final void delete_Point_Vect(long jarg1)
public static final long new_Point2D_Vect__SWIG_0()
public static final long new_Point2D_Vect__SWIG_1(long jarg1)
public static final long Point2D_Vect_size(long jarg1, Point2D_Vect jarg1_)
public static final long Point2D_Vect_capacity(long jarg1, Point2D_Vect jarg1_)
public static final void Point2D_Vect_reserve(long jarg1, Point2D_Vect jarg1_, long jarg2)
public static final boolean Point2D_Vect_isEmpty(long jarg1, Point2D_Vect jarg1_)
public static final void Point2D_Vect_clear(long jarg1, Point2D_Vect jarg1_)
public static final void Point2D_Vect_add(long jarg1, Point2D_Vect jarg1_, long jarg2, Point2D jarg2_)
public static final long Point2D_Vect_get(long jarg1, Point2D_Vect jarg1_, int jarg2)
public static final void Point2D_Vect_set(long jarg1, Point2D_Vect jarg1_, int jarg2, long jarg3, Point2D jarg3_)
public static final boolean Point2D_Vect_equals(long jarg1, Point2D_Vect jarg1_, long jarg2, Point2D_Vect jarg2_)
public static final void delete_Point2D_Vect(long jarg1)
public static final long new_Point3D_Vect__SWIG_0()
public static final long new_Point3D_Vect__SWIG_1(long jarg1)
public static final long Point3D_Vect_size(long jarg1, Point3D_Vect jarg1_)
public static final long Point3D_Vect_capacity(long jarg1, Point3D_Vect jarg1_)
public static final void Point3D_Vect_reserve(long jarg1, Point3D_Vect jarg1_, long jarg2)
public static final boolean Point3D_Vect_isEmpty(long jarg1, Point3D_Vect jarg1_)
public static final void Point3D_Vect_clear(long jarg1, Point3D_Vect jarg1_)
public static final void Point3D_Vect_add(long jarg1, Point3D_Vect jarg1_, long jarg2, Point3D jarg2_)
public static final long Point3D_Vect_get(long jarg1, Point3D_Vect jarg1_, int jarg2)
public static final void Point3D_Vect_set(long jarg1, Point3D_Vect jarg1_, int jarg2, long jarg3, Point3D jarg3_)
public static final boolean Point3D_Vect_equals(long jarg1, Point3D_Vect jarg1_, long jarg2, Point3D_Vect jarg2_)
public static final void delete_Point3D_Vect(long jarg1)
public static final long new_Atomic_Params_Vect__SWIG_0()
public static final long new_Atomic_Params_Vect__SWIG_1(long jarg1)
public static final long Atomic_Params_Vect_size(long jarg1, Atomic_Params_Vect jarg1_)
public static final long Atomic_Params_Vect_capacity(long jarg1, Atomic_Params_Vect jarg1_)
public static final void Atomic_Params_Vect_reserve(long jarg1, Atomic_Params_Vect jarg1_, long jarg2)
public static final boolean Atomic_Params_Vect_isEmpty(long jarg1, Atomic_Params_Vect jarg1_)
public static final void Atomic_Params_Vect_clear(long jarg1, Atomic_Params_Vect jarg1_)
public static final void Atomic_Params_Vect_add(long jarg1, Atomic_Params_Vect jarg1_, long jarg2, AtomicParams jarg2_)
public static final long Atomic_Params_Vect_get(long jarg1, Atomic_Params_Vect jarg1_, int jarg2)
public static final void Atomic_Params_Vect_set(long jarg1, Atomic_Params_Vect jarg1_, int jarg2, long jarg3, AtomicParams jarg3_)
public static final boolean Atomic_Params_Vect_equals(long jarg1, Atomic_Params_Vect jarg1_, long jarg2, Atomic_Params_Vect jarg2_)
public static final void delete_Atomic_Params_Vect(long jarg1)
public static final long new_Int_Pair__SWIG_0()
public static final long new_Int_Pair__SWIG_1(int jarg1, int jarg2)
public static final long new_Int_Pair__SWIG_2(long jarg1, Int_Pair jarg1_)
public static final void Int_Pair_first_set(long jarg1, Int_Pair jarg1_, int jarg2)
public static final int Int_Pair_first_get(long jarg1, Int_Pair jarg1_)
public static final void Int_Pair_second_set(long jarg1, Int_Pair jarg1_, int jarg2)
public static final int Int_Pair_second_get(long jarg1, Int_Pair jarg1_)
public static final void delete_Int_Pair(long jarg1)
public static final long new_Double_Pair__SWIG_0()
public static final long new_Double_Pair__SWIG_1(double jarg1, double jarg2)
public static final long new_Double_Pair__SWIG_2(long jarg1, Double_Pair jarg1_)
public static final void Double_Pair_first_set(long jarg1, Double_Pair jarg1_, double jarg2)
public static final double Double_Pair_first_get(long jarg1, Double_Pair jarg1_)
public static final void Double_Pair_second_set(long jarg1, Double_Pair jarg1_, double jarg2)
public static final double Double_Pair_second_get(long jarg1, Double_Pair jarg1_)
public static final void delete_Double_Pair(long jarg1)
public static final long new_UInt_Pair__SWIG_0()
public static final long new_UInt_Pair__SWIG_1(long jarg1, int jarg2)
public static final long new_UInt_Pair__SWIG_2(long jarg1, UInt_Pair jarg1_)
public static final void UInt_Pair_first_set(long jarg1, UInt_Pair jarg1_, long jarg2)
public static final long UInt_Pair_first_get(long jarg1, UInt_Pair jarg1_)
public static final void UInt_Pair_second_set(long jarg1, UInt_Pair jarg1_, int jarg2)
public static final int UInt_Pair_second_get(long jarg1, UInt_Pair jarg1_)
public static final void delete_UInt_Pair(long jarg1)
public static final long new_Long_Pair__SWIG_0()
public static final long new_Long_Pair__SWIG_1(long jarg1, int jarg2)
public static final long new_Long_Pair__SWIG_2(long jarg1, Long_Pair jarg1_)
public static final void Long_Pair_first_set(long jarg1, Long_Pair jarg1_, long jarg2)
public static final long Long_Pair_first_get(long jarg1, Long_Pair jarg1_)
public static final void Long_Pair_second_set(long jarg1, Long_Pair jarg1_, int jarg2)
public static final int Long_Pair_second_get(long jarg1, Long_Pair jarg1_)
public static final void delete_Long_Pair(long jarg1)
public static final long new_String_String_Map__SWIG_0()
public static final long new_String_String_Map__SWIG_1(long jarg1, String_String_Map jarg1_)
public static final long String_String_Map_size(long jarg1, String_String_Map jarg1_)
public static final boolean String_String_Map_empty(long jarg1, String_String_Map jarg1_)
public static final void String_String_Map_clear(long jarg1, String_String_Map jarg1_)
public static final java.lang.String String_String_Map_get(long jarg1, String_String_Map jarg1_, java.lang.String jarg2)
public static final void String_String_Map_set(long jarg1, String_String_Map jarg1_, java.lang.String jarg2, java.lang.String jarg3)
public static final void String_String_Map_del(long jarg1, String_String_Map jarg1_, java.lang.String jarg2)
public static final boolean String_String_Map_has_key(long jarg1, String_String_Map jarg1_, java.lang.String jarg2)
public static final void delete_String_String_Map(long jarg1)
public static final long new_Int_Int_Map__SWIG_0()
public static final long new_Int_Int_Map__SWIG_1(long jarg1, Int_Int_Map jarg1_)
public static final long Int_Int_Map_size(long jarg1, Int_Int_Map jarg1_)
public static final boolean Int_Int_Map_empty(long jarg1, Int_Int_Map jarg1_)
public static final void Int_Int_Map_clear(long jarg1, Int_Int_Map jarg1_)
public static final int Int_Int_Map_get(long jarg1, Int_Int_Map jarg1_, int jarg2)
public static final void Int_Int_Map_set(long jarg1, Int_Int_Map jarg1_, int jarg2, int jarg3)
public static final void Int_Int_Map_del(long jarg1, Int_Int_Map jarg1_, int jarg2)
public static final boolean Int_Int_Map_has_key(long jarg1, Int_Int_Map jarg1_, int jarg2)
public static final void delete_Int_Int_Map(long jarg1)
public static final long new_Int_Point2D_Map__SWIG_0()
public static final long new_Int_Point2D_Map__SWIG_1(long jarg1, Int_Point2D_Map jarg1_)
public static final long Int_Point2D_Map_size(long jarg1, Int_Point2D_Map jarg1_)
public static final boolean Int_Point2D_Map_empty(long jarg1, Int_Point2D_Map jarg1_)
public static final void Int_Point2D_Map_clear(long jarg1, Int_Point2D_Map jarg1_)
public static final long Int_Point2D_Map_get(long jarg1, Int_Point2D_Map jarg1_, int jarg2)
public static final void Int_Point2D_Map_set(long jarg1, Int_Point2D_Map jarg1_, int jarg2, long jarg3, Point2D jarg3_)
public static final void Int_Point2D_Map_del(long jarg1, Int_Point2D_Map jarg1_, int jarg2)
public static final boolean Int_Point2D_Map_has_key(long jarg1, Int_Point2D_Map jarg1_, int jarg2)
public static final void delete_Int_Point2D_Map(long jarg1)
public static final long new_Int_Point3D_Map__SWIG_0()
public static final long new_Int_Point3D_Map__SWIG_1(long jarg1, Int_Point3D_Map jarg1_)
public static final long Int_Point3D_Map_size(long jarg1, Int_Point3D_Map jarg1_)
public static final boolean Int_Point3D_Map_empty(long jarg1, Int_Point3D_Map jarg1_)
public static final void Int_Point3D_Map_clear(long jarg1, Int_Point3D_Map jarg1_)
public static final long Int_Point3D_Map_get(long jarg1, Int_Point3D_Map jarg1_, int jarg2)
public static final void Int_Point3D_Map_set(long jarg1, Int_Point3D_Map jarg1_, int jarg2, long jarg3, Point3D jarg3_)
public static final void Int_Point3D_Map_del(long jarg1, Int_Point3D_Map jarg1_, int jarg2)
public static final boolean Int_Point3D_Map_has_key(long jarg1, Int_Point3D_Map jarg1_, int jarg2)
public static final void delete_Int_Point3D_Map(long jarg1)
public static final long new_Int_Int_Vect_List_Map__SWIG_0()
public static final long new_Int_Int_Vect_List_Map__SWIG_1(long jarg1, Int_Int_Vect_List_Map jarg1_)
public static final long Int_Int_Vect_List_Map_size(long jarg1, Int_Int_Vect_List_Map jarg1_)
public static final boolean Int_Int_Vect_List_Map_empty(long jarg1, Int_Int_Vect_List_Map jarg1_)
public static final void Int_Int_Vect_List_Map_clear(long jarg1, Int_Int_Vect_List_Map jarg1_)
public static final long Int_Int_Vect_List_Map_get(long jarg1, Int_Int_Vect_List_Map jarg1_, int jarg2)
public static final void Int_Int_Vect_List_Map_set(long jarg1, Int_Int_Vect_List_Map jarg1_, int jarg2, long jarg3, Int_Vect_List jarg3_)
public static final void Int_Int_Vect_List_Map_del(long jarg1, Int_Int_Vect_List_Map jarg1_, int jarg2)
public static final boolean Int_Int_Vect_List_Map_has_key(long jarg1, Int_Int_Vect_List_Map jarg1_, int jarg2)
public static final void delete_Int_Int_Vect_List_Map(long jarg1)
public static final long new_UInt_Pair_Vect__SWIG_0()
public static final long new_UInt_Pair_Vect__SWIG_1(long jarg1)
public static final long UInt_Pair_Vect_size(long jarg1, UInt_Pair_Vect jarg1_)
public static final long UInt_Pair_Vect_capacity(long jarg1, UInt_Pair_Vect jarg1_)
public static final void UInt_Pair_Vect_reserve(long jarg1, UInt_Pair_Vect jarg1_, long jarg2)
public static final boolean UInt_Pair_Vect_isEmpty(long jarg1, UInt_Pair_Vect jarg1_)
public static final void UInt_Pair_Vect_clear(long jarg1, UInt_Pair_Vect jarg1_)
public static final void UInt_Pair_Vect_add(long jarg1, UInt_Pair_Vect jarg1_, long jarg2, UInt_Pair jarg2_)
public static final long UInt_Pair_Vect_get(long jarg1, UInt_Pair_Vect jarg1_, int jarg2)
public static final void UInt_Pair_Vect_set(long jarg1, UInt_Pair_Vect jarg1_, int jarg2, long jarg3, UInt_Pair jarg3_)
public static final boolean UInt_Pair_Vect_equals(long jarg1, UInt_Pair_Vect jarg1_, long jarg2, UInt_Pair_Vect jarg2_)
public static final void delete_UInt_Pair_Vect(long jarg1)
public static final long new_Match_Vect__SWIG_0()
public static final long new_Match_Vect__SWIG_1(long jarg1)
public static final long Match_Vect_size(long jarg1, Match_Vect jarg1_)
public static final long Match_Vect_capacity(long jarg1, Match_Vect jarg1_)
public static final void Match_Vect_reserve(long jarg1, Match_Vect jarg1_, long jarg2)
public static final boolean Match_Vect_isEmpty(long jarg1, Match_Vect jarg1_)
public static final void Match_Vect_clear(long jarg1, Match_Vect jarg1_)
public static final void Match_Vect_add(long jarg1, Match_Vect jarg1_, long jarg2, Int_Pair jarg2_)
public static final long Match_Vect_get(long jarg1, Match_Vect jarg1_, int jarg2)
public static final void Match_Vect_set(long jarg1, Match_Vect jarg1_, int jarg2, long jarg3, Int_Pair jarg3_)
public static final boolean Match_Vect_equals(long jarg1, Match_Vect jarg1_, long jarg2, Match_Vect jarg2_)
public static final void delete_Match_Vect(long jarg1)
public static final long new_Long_Pair_Vect__SWIG_0()
public static final long new_Long_Pair_Vect__SWIG_1(long jarg1)
public static final long Long_Pair_Vect_size(long jarg1, Long_Pair_Vect jarg1_)
public static final long Long_Pair_Vect_capacity(long jarg1, Long_Pair_Vect jarg1_)
public static final void Long_Pair_Vect_reserve(long jarg1, Long_Pair_Vect jarg1_, long jarg2)
public static final boolean Long_Pair_Vect_isEmpty(long jarg1, Long_Pair_Vect jarg1_)
public static final void Long_Pair_Vect_clear(long jarg1, Long_Pair_Vect jarg1_)
public static final void Long_Pair_Vect_add(long jarg1, Long_Pair_Vect jarg1_, long jarg2, Long_Pair jarg2_)
public static final long Long_Pair_Vect_get(long jarg1, Long_Pair_Vect jarg1_, int jarg2)
public static final void Long_Pair_Vect_set(long jarg1, Long_Pair_Vect jarg1_, int jarg2, long jarg3, Long_Pair jarg3_)
public static final boolean Long_Pair_Vect_equals(long jarg1, Long_Pair_Vect jarg1_, long jarg2, Long_Pair_Vect jarg2_)
public static final void delete_Long_Pair_Vect(long jarg1)
public static final long new_Int_Vect_Vect__SWIG_0()
public static final long new_Int_Vect_Vect__SWIG_1(long jarg1)
public static final long Int_Vect_Vect_size(long jarg1, Int_Vect_Vect jarg1_)
public static final long Int_Vect_Vect_capacity(long jarg1, Int_Vect_Vect jarg1_)
public static final void Int_Vect_Vect_reserve(long jarg1, Int_Vect_Vect jarg1_, long jarg2)
public static final boolean Int_Vect_Vect_isEmpty(long jarg1, Int_Vect_Vect jarg1_)
public static final void Int_Vect_Vect_clear(long jarg1, Int_Vect_Vect jarg1_)
public static final void Int_Vect_Vect_add(long jarg1, Int_Vect_Vect jarg1_, long jarg2, Int_Vect jarg2_)
public static final long Int_Vect_Vect_get(long jarg1, Int_Vect_Vect jarg1_, int jarg2)
public static final void Int_Vect_Vect_set(long jarg1, Int_Vect_Vect jarg1_, int jarg2, long jarg3, Int_Vect jarg3_)
public static final boolean Int_Vect_Vect_equals(long jarg1, Int_Vect_Vect jarg1_, long jarg2, Int_Vect_Vect jarg2_)
public static final void delete_Int_Vect_Vect(long jarg1)
public static final long new_Int_Vect_List()
public static final long Int_Vect_List_size(long jarg1, Int_Vect_List jarg1_)
public static final boolean Int_Vect_List_isEmpty(long jarg1, Int_Vect_List jarg1_)
public static final void Int_Vect_List_clear(long jarg1, Int_Vect_List jarg1_)
public static final void Int_Vect_List_add(long jarg1, Int_Vect_List jarg1_, long jarg2, Int_Vect jarg2_)
public static final long Int_Vect_List_get(long jarg1, Int_Vect_List jarg1_, int jarg2)
public static final boolean Int_Vect_List_equals(long jarg1, Int_Vect_List jarg1_, long jarg2, Int_Vect_List jarg2_)
public static final void delete_Int_Vect_List(long jarg1)
public static final long new_Int_List()
public static final long Int_List_size(long jarg1, Int_List jarg1_)
public static final boolean Int_List_isEmpty(long jarg1, Int_List jarg1_)
public static final void Int_List_clear(long jarg1, Int_List jarg1_)
public static final void Int_List_add(long jarg1, Int_List jarg1_, int jarg2)
public static final int Int_List_get(long jarg1, Int_List jarg1_, int jarg2)
public static final boolean Int_List_equals(long jarg1, Int_List jarg1_, long jarg2, Int_List jarg2_)
public static final void delete_Int_List(long jarg1)
public static final long new_UInt_List()
public static final long UInt_List_size(long jarg1, UInt_List jarg1_)
public static final boolean UInt_List_isEmpty(long jarg1, UInt_List jarg1_)
public static final void UInt_List_clear(long jarg1, UInt_List jarg1_)
public static final void UInt_List_add(long jarg1, UInt_List jarg1_, long jarg2)
public static final long UInt_List_get(long jarg1, UInt_List jarg1_, int jarg2)
public static final boolean UInt_List_equals(long jarg1, UInt_List jarg1_, long jarg2, UInt_List jarg2_)
public static final void delete_UInt_List(long jarg1)
public static final long new_Match_Vect_Vect__SWIG_0()
public static final long new_Match_Vect_Vect__SWIG_1(long jarg1)
public static final long Match_Vect_Vect_size(long jarg1, Match_Vect_Vect jarg1_)
public static final long Match_Vect_Vect_capacity(long jarg1, Match_Vect_Vect jarg1_)
public static final void Match_Vect_Vect_reserve(long jarg1, Match_Vect_Vect jarg1_, long jarg2)
public static final boolean Match_Vect_Vect_isEmpty(long jarg1, Match_Vect_Vect jarg1_)
public static final void Match_Vect_Vect_clear(long jarg1, Match_Vect_Vect jarg1_)
public static final void Match_Vect_Vect_add(long jarg1, Match_Vect_Vect jarg1_, long jarg2, Match_Vect jarg2_)
public static final long Match_Vect_Vect_get(long jarg1, Match_Vect_Vect jarg1_, int jarg2)
public static final void Match_Vect_Vect_set(long jarg1, Match_Vect_Vect jarg1_, int jarg2, long jarg3, Match_Vect jarg3_)
public static final boolean Match_Vect_Vect_equals(long jarg1, Match_Vect_Vect jarg1_, long jarg2, Match_Vect_Vect jarg2_)
public static final void delete_Match_Vect_Vect(long jarg1)
public static final long new_Flagged_Atomic_Params_Vect__SWIG_0()
public static final long new_Flagged_Atomic_Params_Vect__SWIG_1(long jarg1, Atomic_Params_Vect jarg1_, boolean jarg2)
public static final long new_Flagged_Atomic_Params_Vect__SWIG_2(long jarg1, Flagged_Atomic_Params_Vect jarg1_)
public static final void Flagged_Atomic_Params_Vect_first_set(long jarg1, Flagged_Atomic_Params_Vect jarg1_, long jarg2, Atomic_Params_Vect jarg2_)
public static final long Flagged_Atomic_Params_Vect_first_get(long jarg1, Flagged_Atomic_Params_Vect jarg1_)
public static final void Flagged_Atomic_Params_Vect_second_set(long jarg1, Flagged_Atomic_Params_Vect jarg1_, boolean jarg2)
public static final boolean Flagged_Atomic_Params_Vect_second_get(long jarg1, Flagged_Atomic_Params_Vect jarg1_)
public static final void delete_Flagged_Atomic_Params_Vect(long jarg1)
public static final long new_Shared_Int_Array()
public static final void Shared_Int_Array_reset(long jarg1, Shared_Int_Array jarg1_)
public static final long Shared_Int_Array_get(long jarg1, Shared_Int_Array jarg1_)
public static final boolean Shared_Int_Array_unique(long jarg1, Shared_Int_Array jarg1_)
public static final long Shared_Int_Array_use_count(long jarg1, Shared_Int_Array jarg1_)
public static final void Shared_Int_Array_swap(long jarg1, Shared_Int_Array jarg1_, long jarg2, Shared_Int_Array jarg2_)
public static final long Shared_Int_Array__internal_get_deleter(long jarg1, Shared_Int_Array jarg1_, long jarg2)
public static final int Shared_Int_Array_getElement(long jarg1, Shared_Int_Array jarg1_, int jarg2)
public static final int Shared_Int_Array_setElement(long jarg1, Shared_Int_Array jarg1_, int jarg2, int jarg3)
public static final void delete_Shared_Int_Array(long jarg1)
public static final long new_Shared_Double_Array()
public static final void Shared_Double_Array_reset(long jarg1, Shared_Double_Array jarg1_)
public static final long Shared_Double_Array_get(long jarg1, Shared_Double_Array jarg1_)
public static final boolean Shared_Double_Array_unique(long jarg1, Shared_Double_Array jarg1_)
public static final long Shared_Double_Array_use_count(long jarg1, Shared_Double_Array jarg1_)
public static final void Shared_Double_Array_swap(long jarg1, Shared_Double_Array jarg1_, long jarg2, Shared_Double_Array jarg2_)
public static final long Shared_Double_Array__internal_get_deleter(long jarg1, Shared_Double_Array jarg1_, long jarg2)
public static final double Shared_Double_Array_getElement(long jarg1, Shared_Double_Array jarg1_, int jarg2)
public static final double Shared_Double_Array_setElement(long jarg1, Shared_Double_Array jarg1_, int jarg2, double jarg3)
public static final void delete_Shared_Double_Array(long jarg1)
public static final java.lang.String amwVersion_get()
public static final double calcAMW__SWIG_0(long jarg1, ROMol jarg1_, boolean jarg2)
public static final double calcAMW__SWIG_1(long jarg1, ROMol jarg1_)
public static final java.lang.String exactmwVersion_get()
public static final double calcExactMW__SWIG_0(long jarg1, ROMol jarg1_, boolean jarg2)
public static final double calcExactMW__SWIG_1(long jarg1, ROMol jarg1_)
public static final java.lang.String calcMolFormula__SWIG_0(long jarg1, ROMol jarg1_, boolean jarg2, boolean jarg3)
public static final java.lang.String calcMolFormula__SWIG_1(long jarg1, ROMol jarg1_, boolean jarg2)
public static final java.lang.String calcMolFormula__SWIG_2(long jarg1, ROMol jarg1_)
public static final java.lang.String lipinskiHBAVersion_get()
public static final long calcLipinskiHBA(long jarg1, ROMol jarg1_)
public static final java.lang.String lipinskiHBDVersion_get()
public static final long calcLipinskiHBD(long jarg1, ROMol jarg1_)
public static final int Default_get()
public static final int NonStrict_get()
public static final int Strict_get()
public static final int StrictLinkages_get()
public static final java.lang.String NumRotatableBondsVersion_get()
public static final long calcNumRotatableBonds__SWIG_0(long jarg1, ROMol jarg1_, int jarg2)
public static final long calcNumRotatableBonds__SWIG_1(long jarg1, ROMol jarg1_)
public static final long calcNumRotatableBonds__SWIG_2(long jarg1, ROMol jarg1_, boolean jarg2)
public static final java.lang.String NumHBDVersion_get()
public static final long calcNumHBD(long jarg1, ROMol jarg1_)
public static final java.lang.String NumHBAVersion_get()
public static final long calcNumHBA(long jarg1, ROMol jarg1_)
public static final java.lang.String NumHeteroatomsVersion_get()
public static final long calcNumHeteroatoms(long jarg1, ROMol jarg1_)
public static final java.lang.String NumAmideBondsVersion_get()
public static final long calcNumAmideBonds(long jarg1, ROMol jarg1_)
public static final java.lang.String FractionCSP3Version_get()
public static final double calcFractionCSP3(long jarg1, ROMol jarg1_)
public static final java.lang.String NumRingsVersion_get()
public static final long calcNumRings(long jarg1, ROMol jarg1_)
public static final java.lang.String NumAromaticRingsVersion_get()
public static final long calcNumAromaticRings(long jarg1, ROMol jarg1_)
public static final java.lang.String NumAliphaticRingsVersion_get()
public static final long calcNumAliphaticRings(long jarg1, ROMol jarg1_)
public static final java.lang.String NumSaturatedRingsVersion_get()
public static final long calcNumSaturatedRings(long jarg1, ROMol jarg1_)
public static final java.lang.String NumHeterocyclesVersion_get()
public static final long calcNumHeterocycles(long jarg1, ROMol jarg1_)
public static final java.lang.String NumAromaticHeterocyclesVersion_get()
public static final long calcNumAromaticHeterocycles(long jarg1, ROMol jarg1_)
public static final java.lang.String NumAromaticCarbocyclesVersion_get()
public static final long calcNumAromaticCarbocycles(long jarg1, ROMol jarg1_)
public static final java.lang.String NumSaturatedHeterocyclesVersion_get()
public static final long calcNumSaturatedHeterocycles(long jarg1, ROMol jarg1_)
public static final java.lang.String NumSaturatedCarbocyclesVersion_get()
public static final long calcNumSaturatedCarbocycles(long jarg1, ROMol jarg1_)
public static final java.lang.String NumAliphaticHeterocyclesVersion_get()
public static final long calcNumAliphaticHeterocycles(long jarg1, ROMol jarg1_)
public static final java.lang.String NumAliphaticCarbocyclesVersion_get()
public static final long calcNumAliphaticCarbocycles(long jarg1, ROMol jarg1_)
public static final java.lang.String NumSpiroAtomsVersion_get()
public static final long calcNumSpiroAtoms__SWIG_0(long jarg1, ROMol jarg1_, long jarg2, UInt_Vect jarg2_)
public static final long calcNumSpiroAtoms__SWIG_1(long jarg1, ROMol jarg1_)
public static final java.lang.String NumBridgeheadAtomsVersion_get()
public static final long calcNumBridgeheadAtoms__SWIG_0(long jarg1, ROMol jarg1_, long jarg2, UInt_Vect jarg2_)
public static final long calcNumBridgeheadAtoms__SWIG_1(long jarg1, ROMol jarg1_)
public static final java.lang.String NumAtomStereoCentersVersion_get()
public static final long numAtomStereoCenters(long jarg1, ROMol jarg1_)
public static final java.lang.String NumUnspecifiedAtomStereoCentersVersion_get()
public static final long numUnspecifiedAtomStereoCenters(long jarg1, ROMol jarg1_)
public static final void registerDescriptors()
public static final java.lang.String labuteASAVersion_get()
public static final double getLabuteAtomContribs__SWIG_0(long jarg1, ROMol jarg1_, long jarg2, Double_Vect jarg2_, long jarg3, boolean jarg4, boolean jarg5)
public static final double getLabuteAtomContribs__SWIG_1(long jarg1, ROMol jarg1_, long jarg2, Double_Vect jarg2_, long jarg3, boolean jarg4)
public static final double getLabuteAtomContribs__SWIG_2(long jarg1, ROMol jarg1_, long jarg2, Double_Vect jarg2_, long jarg3)
public static final double calcLabuteASA__SWIG_0(long jarg1, ROMol jarg1_, boolean jarg2, boolean jarg3)
public static final double calcLabuteASA__SWIG_1(long jarg1, ROMol jarg1_, boolean jarg2)
public static final double calcLabuteASA__SWIG_2(long jarg1, ROMol jarg1_)
public static final java.lang.String tpsaVersion_get()
public static final double getTPSAAtomContribs__SWIG_0(long jarg1, ROMol jarg1_, long jarg2, Double_Vect jarg2_, boolean jarg3, boolean jarg4)
public static final double getTPSAAtomContribs__SWIG_1(long jarg1, ROMol jarg1_, long jarg2, Double_Vect jarg2_, boolean jarg3)
public static final double getTPSAAtomContribs__SWIG_2(long jarg1, ROMol jarg1_, long jarg2, Double_Vect jarg2_)
public static final double calcTPSA__SWIG_0(long jarg1, ROMol jarg1_, boolean jarg2, boolean jarg3)
public static final double calcTPSA__SWIG_1(long jarg1, ROMol jarg1_, boolean jarg2)
public static final double calcTPSA__SWIG_2(long jarg1, ROMol jarg1_)
public static final long calcSlogP_VSA__SWIG_0(long jarg1, ROMol jarg1_, long jarg2, Double_Vect jarg2_, boolean jarg3)
public static final long calcSlogP_VSA__SWIG_1(long jarg1, ROMol jarg1_, long jarg2, Double_Vect jarg2_)
public static final long calcSlogP_VSA__SWIG_2(long jarg1, ROMol jarg1_)
public static final long calcSMR_VSA__SWIG_0(long jarg1, ROMol jarg1_, long jarg2, Double_Vect jarg2_, boolean jarg3)
public static final long calcSMR_VSA__SWIG_1(long jarg1, ROMol jarg1_, long jarg2, Double_Vect jarg2_)
public static final long calcSMR_VSA__SWIG_2(long jarg1, ROMol jarg1_)
public static final long calcPEOE_VSA__SWIG_0(long jarg1, ROMol jarg1_, long jarg2, Double_Vect jarg2_, boolean jarg3)
public static final long calcPEOE_VSA__SWIG_1(long jarg1, ROMol jarg1_, long jarg2, Double_Vect jarg2_)
public static final long calcPEOE_VSA__SWIG_2(long jarg1, ROMol jarg1_)
public static final long calcCustomProp_VSA__SWIG_0(long jarg1, ROMol jarg1_, java.lang.String jarg2, long jarg3, Double_Vect jarg3_, boolean jarg4)
public static final long calcCustomProp_VSA__SWIG_1(long jarg1, ROMol jarg1_, java.lang.String jarg2, long jarg3, Double_Vect jarg3_)
public static final double calcChi0v__SWIG_0(long jarg1, ROMol jarg1_, boolean jarg2)
public static final double calcChi0v__SWIG_1(long jarg1, ROMol jarg1_)
public static final java.lang.String chi0vVersion_get()
public static final double calcChi1v__SWIG_0(long jarg1, ROMol jarg1_, boolean jarg2)
public static final double calcChi1v__SWIG_1(long jarg1, ROMol jarg1_)
public static final java.lang.String chi1vVersion_get()
public static final double calcChi2v__SWIG_0(long jarg1, ROMol jarg1_, boolean jarg2)
public static final double calcChi2v__SWIG_1(long jarg1, ROMol jarg1_)
public static final java.lang.String chi2vVersion_get()
public static final double calcChi3v__SWIG_0(long jarg1, ROMol jarg1_, boolean jarg2)
public static final double calcChi3v__SWIG_1(long jarg1, ROMol jarg1_)
public static final java.lang.String chi3vVersion_get()
public static final double calcChi4v__SWIG_0(long jarg1, ROMol jarg1_, boolean jarg2)
public static final double calcChi4v__SWIG_1(long jarg1, ROMol jarg1_)
public static final java.lang.String chi4vVersion_get()
public static final double calcChiNv__SWIG_0(long jarg1, ROMol jarg1_, long jarg2, boolean jarg3)
public static final double calcChiNv__SWIG_1(long jarg1, ROMol jarg1_, long jarg2)
public static final java.lang.String chiNvVersion_get()
public static final double calcChi0n__SWIG_0(long jarg1, ROMol jarg1_, boolean jarg2)
public static final double calcChi0n__SWIG_1(long jarg1, ROMol jarg1_)
public static final java.lang.String chi0nVersion_get()
public static final double calcChi1n__SWIG_0(long jarg1, ROMol jarg1_, boolean jarg2)
public static final double calcChi1n__SWIG_1(long jarg1, ROMol jarg1_)
public static final java.lang.String chi1nVersion_get()
public static final double calcChi2n__SWIG_0(long jarg1, ROMol jarg1_, boolean jarg2)
public static final double calcChi2n__SWIG_1(long jarg1, ROMol jarg1_)
public static final java.lang.String chi2nVersion_get()
public static final double calcChi3n__SWIG_0(long jarg1, ROMol jarg1_, boolean jarg2)
public static final double calcChi3n__SWIG_1(long jarg1, ROMol jarg1_)
public static final java.lang.String chi3nVersion_get()
public static final double calcChi4n__SWIG_0(long jarg1, ROMol jarg1_, boolean jarg2)
public static final double calcChi4n__SWIG_1(long jarg1, ROMol jarg1_)
public static final java.lang.String chi4nVersion_get()
public static final double calcChiNn__SWIG_0(long jarg1, ROMol jarg1_, long jarg2, boolean jarg3)
public static final double calcChiNn__SWIG_1(long jarg1, ROMol jarg1_, long jarg2)
public static final java.lang.String chiNnVersion_get()
public static final double calcHallKierAlpha__SWIG_0(long jarg1, ROMol jarg1_, long jarg2, Double_Vect jarg2_)
public static final double calcHallKierAlpha__SWIG_1(long jarg1, ROMol jarg1_)
public static final java.lang.String hallKierAlphaVersion_get()
public static final double calcKappa1(long jarg1, ROMol jarg1_)
public static final java.lang.String kappa1Version_get()
public static final double calcKappa2(long jarg1, ROMol jarg1_)
public static final java.lang.String kappa2Version_get()
public static final double calcKappa3(long jarg1, ROMol jarg1_)
public static final java.lang.String kappa3Version_get()
public static final void hkDeltas(long jarg1, ROMol jarg1_, long jarg2, Double_Vect jarg2_, boolean jarg3)
public static final java.lang.String MQNVersion_get()
public static final long calcMQNs__SWIG_0(long jarg1, ROMol jarg1_, boolean jarg2)
public static final long calcMQNs__SWIG_1(long jarg1, ROMol jarg1_)
public static final long calcCrippenDescriptors__SWIG_0(long jarg1, ROMol jarg1_, boolean jarg2, boolean jarg3)
public static final long calcCrippenDescriptors__SWIG_1(long jarg1, ROMol jarg1_, boolean jarg2)
public static final long calcCrippenDescriptors__SWIG_2(long jarg1, ROMol jarg1_)
public static final double calcMolLogP(long jarg1, ROMol jarg1_)
public static final double calcMolMR(long jarg1, ROMol jarg1_)
public static final long new_StringInt_Pair__SWIG_0()
public static final long new_StringInt_Pair__SWIG_1(java.lang.String jarg1, int jarg2)
public static final long new_StringInt_Pair__SWIG_2(long jarg1, StringInt_Pair jarg1_)
public static final void StringInt_Pair_first_set(long jarg1, StringInt_Pair jarg1_, java.lang.String jarg2)
public static final java.lang.String StringInt_Pair_first_get(long jarg1, StringInt_Pair jarg1_)
public static final void StringInt_Pair_second_set(long jarg1, StringInt_Pair jarg1_, int jarg2)
public static final int StringInt_Pair_second_get(long jarg1, StringInt_Pair jarg1_)
public static final void delete_StringInt_Pair(long jarg1)
public static final int avalonSSSBits_get()
public static final int avalonSimilarityBits_get()
public static final java.lang.String getCanonSmiles__SWIG_0(long jarg1, ROMol jarg1_, int jarg2)
public static final java.lang.String getCanonSmiles__SWIG_1(long jarg1, ROMol jarg1_)
public static final void getAvalonCountFP__SWIG_0(long jarg1, ROMol jarg1_, long jarg2, SparseIntVectu32 jarg2_, long jarg3, boolean jarg4, boolean jarg5, long jarg6)
public static final void getAvalonCountFP__SWIG_1(long jarg1, ROMol jarg1_, long jarg2, SparseIntVectu32 jarg2_, long jarg3, boolean jarg4, boolean jarg5)
public static final void getAvalonCountFP__SWIG_2(long jarg1, ROMol jarg1_, long jarg2, SparseIntVectu32 jarg2_, long jarg3, boolean jarg4)
public static final void getAvalonCountFP__SWIG_3(long jarg1, ROMol jarg1_, long jarg2, SparseIntVectu32 jarg2_, long jarg3)
public static final void getAvalonCountFP__SWIG_4(long jarg1, ROMol jarg1_, long jarg2, SparseIntVectu32 jarg2_)
public static final void getAvalonFP__SWIG_0(long jarg1, ROMol jarg1_, long jarg2, ExplicitBitVect jarg2_, long jarg3, boolean jarg4, boolean jarg5, long jarg6)
public static final void getAvalonFP__SWIG_1(long jarg1, ROMol jarg1_, long jarg2, ExplicitBitVect jarg2_, long jarg3, boolean jarg4, boolean jarg5)
public static final void getAvalonFP__SWIG_2(long jarg1, ROMol jarg1_, long jarg2, ExplicitBitVect jarg2_, long jarg3, boolean jarg4)
public static final void getAvalonFP__SWIG_3(long jarg1, ROMol jarg1_, long jarg2, ExplicitBitVect jarg2_, long jarg3)
public static final void getAvalonFP__SWIG_4(long jarg1, ROMol jarg1_, long jarg2, ExplicitBitVect jarg2_)
public static final void getAvalonFP__SWIG_5(long jarg1, ROMol jarg1_, long jarg2, UInt_Vect jarg2_, long jarg3, boolean jarg4, boolean jarg5, long jarg6)
public static final void getAvalonFP__SWIG_6(long jarg1, ROMol jarg1_, long jarg2, UInt_Vect jarg2_, long jarg3, boolean jarg4, boolean jarg5)
public static final void getAvalonFP__SWIG_7(long jarg1, ROMol jarg1_, long jarg2, UInt_Vect jarg2_, long jarg3, boolean jarg4)
public static final void getAvalonFP__SWIG_8(long jarg1, ROMol jarg1_, long jarg2, UInt_Vect jarg2_, long jarg3)
public static final void getAvalonFP__SWIG_9(long jarg1, ROMol jarg1_, long jarg2, UInt_Vect jarg2_)
public static final long set2DCoords__SWIG_0(long jarg1, ROMol jarg1_, boolean jarg2)
public static final long set2DCoords__SWIG_1(long jarg1, ROMol jarg1_)
public static final java.lang.String getCanonSmiles__SWIG_2(java.lang.String jarg1, boolean jarg2, int jarg3)
public static final java.lang.String getCanonSmiles__SWIG_3(java.lang.String jarg1, boolean jarg2)
public static final void getAvalonCountFP__SWIG_5(java.lang.String jarg1, boolean jarg2, long jarg3, SparseIntVectu32 jarg3_, long jarg4, boolean jarg5, long jarg6)
public static final void getAvalonCountFP__SWIG_6(java.lang.String jarg1, boolean jarg2, long jarg3, SparseIntVectu32 jarg3_, long jarg4, boolean jarg5)
public static final void getAvalonCountFP__SWIG_7(java.lang.String jarg1, boolean jarg2, long jarg3, SparseIntVectu32 jarg3_, long jarg4)
public static final void getAvalonCountFP__SWIG_8(java.lang.String jarg1, boolean jarg2, long jarg3, SparseIntVectu32 jarg3_)
public static final void getAvalonFP__SWIG_10(java.lang.String jarg1, boolean jarg2, long jarg3, ExplicitBitVect jarg3_, long jarg4, boolean jarg5, boolean jarg6, long jarg7)
public static final void getAvalonFP__SWIG_11(java.lang.String jarg1, boolean jarg2, long jarg3, ExplicitBitVect jarg3_, long jarg4, boolean jarg5, boolean jarg6)
public static final void getAvalonFP__SWIG_12(java.lang.String jarg1, boolean jarg2, long jarg3, ExplicitBitVect jarg3_, long jarg4, boolean jarg5)
public static final void getAvalonFP__SWIG_13(java.lang.String jarg1, boolean jarg2, long jarg3, ExplicitBitVect jarg3_, long jarg4)
public static final void getAvalonFP__SWIG_14(java.lang.String jarg1, boolean jarg2, long jarg3, ExplicitBitVect jarg3_)
public static final void getAvalonFP__SWIG_15(java.lang.String jarg1, boolean jarg2, long jarg3, UInt_Vect jarg3_, long jarg4, boolean jarg5, boolean jarg6, long jarg7)
public static final void getAvalonFP__SWIG_16(java.lang.String jarg1, boolean jarg2, long jarg3, UInt_Vect jarg3_, long jarg4, boolean jarg5, boolean jarg6)
public static final void getAvalonFP__SWIG_17(java.lang.String jarg1, boolean jarg2, long jarg3, UInt_Vect jarg3_, long jarg4, boolean jarg5)
public static final void getAvalonFP__SWIG_18(java.lang.String jarg1, boolean jarg2, long jarg3, UInt_Vect jarg3_, long jarg4)
public static final void getAvalonFP__SWIG_19(java.lang.String jarg1, boolean jarg2, long jarg3, UInt_Vect jarg3_)
public static final java.lang.String set2DCoords__SWIG_2(java.lang.String jarg1, boolean jarg2)
public static final int initCheckMol(java.lang.String jarg1)
public static final long checkMol__SWIG_0(long jarg1, long jarg2, ROMol jarg2_)
public static final long checkMol__SWIG_1(long jarg1, java.lang.String jarg2, boolean jarg3)
public static final long checkMolString(java.lang.String jarg1, boolean jarg2)
public static final java.lang.String getCheckMolLog()
public static final void closeCheckMolFiles()
public static final void ExtraInchiReturnValues_returnCode_set(long jarg1, ExtraInchiReturnValues jarg1_, int jarg2)
public static final int ExtraInchiReturnValues_returnCode_get(long jarg1, ExtraInchiReturnValues jarg1_)
public static final void ExtraInchiReturnValues_messagePtr_set(long jarg1, ExtraInchiReturnValues jarg1_, java.lang.String jarg2)
public static final java.lang.String ExtraInchiReturnValues_messagePtr_get(long jarg1, ExtraInchiReturnValues jarg1_)
public static final void ExtraInchiReturnValues_logPtr_set(long jarg1, ExtraInchiReturnValues jarg1_, java.lang.String jarg2)
public static final java.lang.String ExtraInchiReturnValues_logPtr_get(long jarg1, ExtraInchiReturnValues jarg1_)
public static final void ExtraInchiReturnValues_auxInfoPtr_set(long jarg1, ExtraInchiReturnValues jarg1_, java.lang.String jarg2)
public static final java.lang.String ExtraInchiReturnValues_auxInfoPtr_get(long jarg1, ExtraInchiReturnValues jarg1_)
public static final long new_ExtraInchiReturnValues()
public static final void delete_ExtraInchiReturnValues(long jarg1)
public static final long InchiToMol__SWIG_0(java.lang.String jarg1, long jarg2, ExtraInchiReturnValues jarg2_, boolean jarg3, boolean jarg4)
public static final long InchiToMol__SWIG_1(java.lang.String jarg1, long jarg2, ExtraInchiReturnValues jarg2_, boolean jarg3)
public static final long InchiToMol__SWIG_2(java.lang.String jarg1, long jarg2, ExtraInchiReturnValues jarg2_)
public static final java.lang.String MolToInchi__SWIG_0(long jarg1, ROMol jarg1_, long jarg2, ExtraInchiReturnValues jarg2_, java.lang.String jarg3)
public static final java.lang.String MolToInchi__SWIG_1(long jarg1, ROMol jarg1_, long jarg2, ExtraInchiReturnValues jarg2_)
public static final java.lang.String MolBlockToInchi__SWIG_0(java.lang.String jarg1, long jarg2, ExtraInchiReturnValues jarg2_, java.lang.String jarg3)
public static final java.lang.String MolBlockToInchi__SWIG_1(java.lang.String jarg1, long jarg2, ExtraInchiReturnValues jarg2_)
public static final java.lang.String InchiToInchiKey(java.lang.String jarg1)
public static final java.lang.String MolToInchiKey__SWIG_0(long jarg1, ROMol jarg1_, java.lang.String jarg2)
public static final java.lang.String MolToInchiKey__SWIG_1(long jarg1, ROMol jarg1_)
public static final long new_EBV_Vect__SWIG_0()
public static final long new_EBV_Vect__SWIG_1(long jarg1)
public static final long EBV_Vect_size(long jarg1, EBV_Vect jarg1_)
public static final long EBV_Vect_capacity(long jarg1, EBV_Vect jarg1_)
public static final void EBV_Vect_reserve(long jarg1, EBV_Vect jarg1_, long jarg2)
public static final boolean EBV_Vect_isEmpty(long jarg1, EBV_Vect jarg1_)
public static final void EBV_Vect_clear(long jarg1, EBV_Vect jarg1_)
public static final void EBV_Vect_add(long jarg1, EBV_Vect jarg1_, long jarg2, ExplicitBitVect jarg2_)
public static final long EBV_Vect_get(long jarg1, EBV_Vect jarg1_, int jarg2)
public static final void EBV_Vect_set(long jarg1, EBV_Vect jarg1_, int jarg2, long jarg3, ExplicitBitVect jarg3_)
public static final boolean EBV_Vect_equals(long jarg1, EBV_Vect jarg1_, long jarg2, EBV_Vect jarg2_)
public static final void delete_EBV_Vect(long jarg1)
public static final long pickUsingFingerprints__SWIG_0(long jarg1, EBV_Vect jarg1_, long jarg2, int jarg3, long jarg4, Int_Vect jarg4_, boolean jarg5)
public static final long pickUsingFingerprints__SWIG_1(long jarg1, EBV_Vect jarg1_, long jarg2, int jarg3, long jarg4, Int_Vect jarg4_)
public static final long pickUsingFingerprints__SWIG_2(long jarg1, EBV_Vect jarg1_, long jarg2, int jarg3)
public static final long pickUsingFingerprints__SWIG_3(long jarg1, EBV_Vect jarg1_, long jarg2)
public static final int RDKIT_VERSION_get()
public static final void rdkitVersion_set(java.lang.String jarg1)
public static final java.lang.String rdkitVersion_get()
public static final void boostVersion_set(java.lang.String jarg1)
public static final java.lang.String boostVersion_get()
public static final void rdkitBuild_set(java.lang.String jarg1)
public static final java.lang.String rdkitBuild_get()
public static final long Point3D_SWIGUpcast(long jarg1)
public static final long Point2D_SWIGUpcast(long jarg1)
public static final long PointND_SWIGUpcast(long jarg1)
public static final long ROMol_SWIGSmartPtrUpcast(long jarg1)
public static final long RWMol_SWIGSmartPtrUpcast(long jarg1)
public static final long Bond_SWIGSmartPtrUpcast(long jarg1)
public static final long Atom_SWIGSmartPtrUpcast(long jarg1)
public static final long QueryAtom_SWIGSmartPtrUpcast(long jarg1)
public static final long QueryBond_SWIGSmartPtrUpcast(long jarg1)
public static final long AtomPDBResidueInfo_SWIGUpcast(long jarg1)
public static final long AtomSanitizeException_SWIGSmartPtrUpcast(long jarg1)
public static final long AtomValenceException_SWIGSmartPtrUpcast(long jarg1)
public static final long AtomKekulizeException_SWIGSmartPtrUpcast(long jarg1)
public static final long KekulizeException_SWIGSmartPtrUpcast(long jarg1)
public static final long ForwardSDMolSupplier_SWIGUpcast(long jarg1)
public static final long SDMolSupplier_SWIGUpcast(long jarg1)
public static final long SmilesMolSupplier_SWIGUpcast(long jarg1)
public static final long TDTMolSupplier_SWIGUpcast(long jarg1)
public static final long PDBMolSupplier_SWIGUpcast(long jarg1)
public static final long SmilesWriter_SWIGUpcast(long jarg1)
public static final long SDWriter_SWIGUpcast(long jarg1)
public static final long TDTWriter_SWIGUpcast(long jarg1)
public static final long PDBWriter_SWIGUpcast(long jarg1)
public static final long ChemicalReaction_SWIGSmartPtrUpcast(long jarg1)
public static final long ExplicitBitVect_SWIGUpcast(long jarg1)
public static final long DoubleSquareMatrix_SWIGUpcast(long jarg1)
public static final long Transform2D_SWIGUpcast(long jarg1)
public static final long Transform3D_SWIGUpcast(long jarg1)
public static final long BoundsMatrix_SWIGUpcast(long jarg1)
public static final long AngleBendContrib_SWIGSmartPtrUpcast(long jarg1)
public static final long BondStretchContrib_SWIGSmartPtrUpcast(long jarg1)
public static final long DistanceConstraintContrib_SWIGSmartPtrUpcast(long jarg1)
public static final long vdWContrib_SWIGSmartPtrUpcast(long jarg1)
public static final long TorsionAngleContrib_SWIGSmartPtrUpcast(long jarg1)
public static final long InversionContrib_SWIGSmartPtrUpcast(long jarg1)
public static final long MolDraw2DSVG_SWIGUpcast(long jarg1)
public static final long FilterCatalogParams_SWIGUpcast(long jarg1)
public static final long MolHolder_SWIGSmartPtrUpcast(long jarg1)
public static final long CachedMolHolder_SWIGSmartPtrUpcast(long jarg1)
public static final long CachedSmilesMolHolder_SWIGSmartPtrUpcast(long jarg1)
public static final long CachedTrustedSmilesMolHolder_SWIGSmartPtrUpcast(long jarg1)
public static final long PatternHolder_SWIGSmartPtrUpcast(long jarg1)