UNPKG

kekule

Version:

Open source JavaScript toolkit for chemoinformatics

372 lines 29.7 kB
function CreateIndigo(module) // create Indigo adapter object { var Module = module || Module(); var result = { INDIGO_RC_NOT_CENTER: -1, INDIGO_RC_UNMARKED: 0, INDIGO_RC_CENTER: 1, INDIGO_RC_UNCHANGED: 2, INDIGO_RC_MADE_OR_BROKEN: 4, INDIGO_RC_ORDER_CHANGED: 8, INDIGO_ABS: 1, INDIGO_OR: 2, INDIGO_AND: 3, INDIGO_EITHER: 4, INDIGO_UP: 5, INDIGO_DOWN: 6, INDIGO_CIS: 7, INDIGO_TRANS: 8, INDIGO_CHAIN: 9, INDIGO_RING: 10, INDIGO_ALLENE: 11, INDIGO_SINGLET: 101, INDIGO_DOUBLET: 102, INDIGO_TRIPLET: 103, version: Module.cwrap('indigoVersion', 'string', []), allocSessionId: Module.cwrap('indigoAllocSessionId', 'number', []), setSessionId: Module.cwrap('indigoSetSessionId', null, ['number']), releaseSessionId: Module.cwrap('indigoReleaseSessionId', null, ['number']), getLastError: Module.cwrap('indigoGetLastError', 'string', []), free: Module.cwrap('indigoFree', 'number', ['number']), clone: Module.cwrap('indigoClone', 'number', ['number']), countReferences: Module.cwrap('indigoCountReferences', 'number', []), freeAllObjects: Module.cwrap('indigoFreeAllObjects', 'number', []), setOption: Module.cwrap('indigoSetOption', 'number', ['string', 'string']), setOptionInt: Module.cwrap('indigoSetOptionInt', 'number', ['string', 'number']), setOptionBool: Module.cwrap('indigoSetOptionBool', 'number', ['string', 'number']), setOptionFloat: Module.cwrap('indigoSetOptionFloat', 'number', ['string', 'number']), setOptionColor: Module.cwrap('indigoSetOptionColor', 'number', ['string', 'number', 'number', 'number']), setOptionXY: Module.cwrap('indigoSetOptionXY', 'number', ['string', 'number', 'number']), resetOptions: Module.cwrap('indigoResetOptions', 'number', []), readString: Module.cwrap('indigoReadString', 'number', ['string']), loadString: Module.cwrap('indigoLoadString', 'number', ['string']), readBuffer: Module.cwrap('indigoReadBuffer', 'number', ['string', 'number']), loadBuffer: Module.cwrap('indigoLoadBuffer', 'number', ['string', 'number']), writeBuffer: Module.cwrap('indigoWriteBuffer', 'number', []), close: Module.cwrap('indigoClose', 'number', ['number']), next: Module.cwrap('indigoNext', 'number', ['number']), hasNext: Module.cwrap('indigoHasNext', 'number', ['number']), index: Module.cwrap('indigoIndex', 'number', ['number']), remove: Module.cwrap('indigoRemove', 'number', ['number']), createMolecule: Module.cwrap('indigoCreateMolecule', 'number', []), createQueryMolecule: Module.cwrap('indigoCreateQueryMolecule', 'number', []), loadMolecule: Module.cwrap('indigoLoadMolecule', 'number', ['number']), loadMoleculeFromString: Module.cwrap('indigoLoadMoleculeFromString', 'number', ['string']), loadMoleculeFromBuffer: Module.cwrap('indigoLoadMoleculeFromBuffer', 'number', ['string', 'number']), loadQueryMolecule: Module.cwrap('indigoLoadQueryMolecule', 'number', ['number']), loadQueryMoleculeFromString: Module.cwrap('indigoLoadQueryMoleculeFromString', 'number', ['string']), loadQueryMoleculeFromBuffer: Module.cwrap('indigoLoadQueryMoleculeFromBuffer', 'number', ['string', 'number']), loadSmarts: Module.cwrap('indigoLoadSmarts', 'number', ['number']), loadSmartsFromString: Module.cwrap('indigoLoadSmartsFromString', 'number', ['string']), loadSmartsFromBuffer: Module.cwrap('indigoLoadSmartsFromBuffer', 'number', ['string', 'number']), saveMolfile: Module.cwrap('indigoSaveMolfile', 'number', ['number', 'number']), molfile: Module.cwrap('indigoMolfile', 'string', ['number']), saveCml: Module.cwrap('indigoSaveCml', 'number', ['number', 'number']), cml: Module.cwrap('indigoCml', 'string', ['number']), saveCdxml: Module.cwrap('indigoSaveCdxml', 'number', ['number', 'number']), cdxml: Module.cwrap('indigoCdxml', 'string', ['number']), saveMDLCT: Module.cwrap('indigoSaveMDLCT', 'number', ['number', 'number']), nameToStructure: Module.cwrap('indigoNameToStructure', 'number', ['string', 'string']), loadReaction: Module.cwrap('indigoLoadReaction', 'number', ['number']), loadReactionFromString: Module.cwrap('indigoLoadReactionFromString', 'number', ['string']), loadReactionFromBuffer: Module.cwrap('indigoLoadReactionFromBuffer', 'number', ['string', 'number']), loadQueryReaction: Module.cwrap('indigoLoadQueryReaction', 'number', ['number']), loadQueryReactionFromString: Module.cwrap('indigoLoadQueryReactionFromString', 'number', ['string']), loadQueryReactionFromBuffer: Module.cwrap('indigoLoadQueryReactionFromBuffer', 'number', ['string', 'number']), loadReactionSmarts: Module.cwrap('indigoLoadReactionSmarts', 'number', ['number']), loadReactionSmartsFromString: Module.cwrap('indigoLoadReactionSmartsFromString', 'number', ['string']), loadReactionSmartsFromBuffer: Module.cwrap('indigoLoadReactionSmartsFromBuffer', 'number', ['string', 'number']), createReaction: Module.cwrap('indigoCreateReaction', 'number', []), createQueryReaction: Module.cwrap('indigoCreateQueryReaction', 'number', []), addReactant: Module.cwrap('indigoAddReactant', 'number', ['number', 'number']), addProduct: Module.cwrap('indigoAddProduct', 'number', ['number', 'number']), addCatalyst: Module.cwrap('indigoAddCatalyst', 'number', ['number', 'number']), countReactants: Module.cwrap('indigoCountReactants', 'number', ['number']), countProducts: Module.cwrap('indigoCountProducts', 'number', ['number']), countCatalysts: Module.cwrap('indigoCountCatalysts', 'number', ['number']), countMolecules: Module.cwrap('indigoCountMolecules', 'number', ['number']), getMolecule: Module.cwrap('indigoGetMolecule', 'number', ['number', 'number']), iterateReactants: Module.cwrap('indigoIterateReactants', 'number', ['number']), iterateProducts: Module.cwrap('indigoIterateProducts', 'number', ['number']), iterateCatalysts: Module.cwrap('indigoIterateCatalysts', 'number', ['number']), iterateMolecules: Module.cwrap('indigoIterateMolecules', 'number', ['number']), saveRxnfile: Module.cwrap('indigoSaveRxnfile', 'number', ['number', 'number']), rxnfile: Module.cwrap('indigoRxnfile', 'string', ['number']), optimize: Module.cwrap('indigoOptimize', 'number', ['number', 'string']), normalize: Module.cwrap('indigoNormalize', 'number', ['number', 'string']), standardize: Module.cwrap('indigoStandardize', 'number', ['number']), ionize: Module.cwrap('indigoIonize', 'number', ['number', 'number', 'number']), getAcidPkaValue: Module.cwrap('indigoGetAcidPkaValue', 'array', ['number', 'number', 'number', 'number']), getBasicPkaValue: Module.cwrap('indigoGetBasicPkaValue', 'array', ['number', 'number', 'number', 'number']), automap: Module.cwrap('indigoAutomap', 'number', ['number', 'string']), getAtomMappingNumber: Module.cwrap('indigoGetAtomMappingNumber', 'number', ['number', 'number']), setAtomMappingNumber: Module.cwrap('indigoSetAtomMappingNumber', 'number', ['number', 'number', 'number']), getReactingCenter: Module.cwrap('indigoGetReactingCenter', 'number', ['number', 'number', 'number']), setReactingCenter: Module.cwrap('indigoSetReactingCenter', 'number', ['number', 'number', 'number']), clearAAM: Module.cwrap('indigoClearAAM', 'number', ['number']), correctReactingCenters: Module.cwrap('indigoCorrectReactingCenters', 'number', ['number']), iterateAtoms: Module.cwrap('indigoIterateAtoms', 'number', ['number']), iteratePseudoatoms: Module.cwrap('indigoIteratePseudoatoms', 'number', ['number']), iterateRSites: Module.cwrap('indigoIterateRSites', 'number', ['number']), iterateStereocenters: Module.cwrap('indigoIterateStereocenters', 'number', ['number']), iterateAlleneCenters: Module.cwrap('indigoIterateAlleneCenters', 'number', ['number']), iterateRGroups: Module.cwrap('indigoIterateRGroups', 'number', ['number']), countRGroups: Module.cwrap('indigoCountRGroups', 'number', ['number']), isPseudoatom: Module.cwrap('indigoIsPseudoatom', 'number', ['number']), isRSite: Module.cwrap('indigoIsRSite', 'number', ['number']), stereocenterType: Module.cwrap('indigoStereocenterType', 'number', ['number']), changeStereocenterType: Module.cwrap('indigoChangeStereocenterType', 'number', ['number', 'number']), stereocenterGroup: Module.cwrap('indigoStereocenterGroup', 'number', ['number']), setStereocenterGroup: Module.cwrap('indigoSetStereocenterGroup', 'number', ['number', 'number']), stereocenterPyramid: Module.cwrap('indigoStereocenterPyramid', 'number', ['number']), singleAllowedRGroup: Module.cwrap('indigoSingleAllowedRGroup', 'number', ['number']), addStereocenter: Module.cwrap('indigoAddStereocenter', 'number', ['number', 'number', 'number', 'number', 'number', 'number']), iterateRGroupFragments: Module.cwrap('indigoIterateRGroupFragments', 'number', ['number']), countAttachmentPoints: Module.cwrap('indigoCountAttachmentPoints', 'number', ['number']), iterateAttachmentPoints: Module.cwrap('indigoIterateAttachmentPoints', 'number', ['number', 'number']), symbol: Module.cwrap('indigoSymbol', 'string', ['number']), degree: Module.cwrap('indigoDegree', 'number', ['number']), getCharge: Module.cwrap('indigoGetCharge', 'number', ['number', 'number']), getExplicitValence: Module.cwrap('indigoGetExplicitValence', 'number', ['number', 'number']), setExplicitValence: Module.cwrap('indigoSetExplicitValence', 'number', ['number', 'number']), atomicNumber: Module.cwrap('indigoAtomicNumber', 'number', ['number']), isotope: Module.cwrap('indigoIsotope', 'number', ['number']), valence: Module.cwrap('indigoValence', 'number', ['number']), checkValence: Module.cwrap('indigoCheckValence', 'number', ['number']), checkQuery: Module.cwrap('indigoCheckQuery', 'number', ['number']), checkRGroups: Module.cwrap('indigoCheckRGroups', 'number', ['number']), countHydrogens: Module.cwrap('indigoCountHydrogens', 'number', ['number', 'number']), countImplicitHydrogens: Module.cwrap('indigoCountImplicitHydrogens', 'number', ['number']), xYZ: Module.cwrap('indigoXYZ', 'array', ['number']), setXYZ: Module.cwrap('indigoSetXYZ', 'number', ['number', 'number', 'number', 'number']), countSuperatoms: Module.cwrap('indigoCountSuperatoms', 'number', ['number']), countDataSGroups: Module.cwrap('indigoCountDataSGroups', 'number', ['number']), countRepeatingUnits: Module.cwrap('indigoCountRepeatingUnits', 'number', ['number']), countMultipleGroups: Module.cwrap('indigoCountMultipleGroups', 'number', ['number']), countGenericSGroups: Module.cwrap('indigoCountGenericSGroups', 'number', ['number']), iterateDataSGroups: Module.cwrap('indigoIterateDataSGroups', 'number', ['number']), iterateSuperatoms: Module.cwrap('indigoIterateSuperatoms', 'number', ['number']), iterateGenericSGroups: Module.cwrap('indigoIterateGenericSGroups', 'number', ['number']), iterateRepeatingUnits: Module.cwrap('indigoIterateRepeatingUnits', 'number', ['number']), iterateMultipleGroups: Module.cwrap('indigoIterateMultipleGroups', 'number', ['number']), iterateSGroups: Module.cwrap('indigoIterateSGroups', 'number', ['number']), getSuperatom: Module.cwrap('indigoGetSuperatom', 'number', ['number', 'number']), getDataSGroup: Module.cwrap('indigoGetDataSGroup', 'number', ['number', 'number']), getGenericSGroup: Module.cwrap('indigoGetGenericSGroup', 'number', ['number', 'number']), getMultipleGroup: Module.cwrap('indigoGetMultipleGroup', 'number', ['number', 'number']), getRepeatingUnit: Module.cwrap('indigoGetRepeatingUnit', 'number', ['number', 'number']), description: Module.cwrap('indigoDescription', 'string', ['number']), data: Module.cwrap('indigoData', 'string', ['number']), addDataSGroup: Module.cwrap('indigoAddDataSGroup', 'number', ['number', 'number', 'number', 'number', 'number', 'string', 'string']), addSuperatom: Module.cwrap('indigoAddSuperatom', 'number', ['number', 'number', 'number', 'string']), setDataSGroupXY: Module.cwrap('indigoSetDataSGroupXY', 'number', ['number', 'number', 'number', 'string']), setSGroupData: Module.cwrap('indigoSetSGroupData', 'number', ['number', 'string']), setSGroupCoords: Module.cwrap('indigoSetSGroupCoords', 'number', ['number', 'number', 'number']), setSGroupDescription: Module.cwrap('indigoSetSGroupDescription', 'number', ['number', 'string']), setSGroupFieldName: Module.cwrap('indigoSetSGroupFieldName', 'number', ['number', 'string']), setSGroupQueryCode: Module.cwrap('indigoSetSGroupQueryCode', 'number', ['number', 'string']), setSGroupQueryOper: Module.cwrap('indigoSetSGroupQueryOper', 'number', ['number', 'string']), setSGroupDisplay: Module.cwrap('indigoSetSGroupDisplay', 'number', ['number', 'string']), setSGroupLocation: Module.cwrap('indigoSetSGroupLocation', 'number', ['number', 'string']), setSGroupTag: Module.cwrap('indigoSetSGroupTag', 'number', ['number', 'string']), setSGroupTagAlign: Module.cwrap('indigoSetSGroupTagAlign', 'number', ['number', 'number']), setSGroupDataType: Module.cwrap('indigoSetSGroupDataType', 'number', ['number', 'string']), setSGroupXCoord: Module.cwrap('indigoSetSGroupXCoord', 'number', ['number', 'number']), setSGroupYCoord: Module.cwrap('indigoSetSGroupYCoord', 'number', ['number', 'number']), createSGroup: Module.cwrap('indigoCreateSGroup', 'number', ['string', 'number', 'string']), getSGroupClass: Module.cwrap('indigoGetSGroupClass', 'string', ['number']), getSGroupName: Module.cwrap('indigoGetSGroupName', 'string', ['number']), setSGroupClass: Module.cwrap('indigoSetSGroupClass', 'number', ['number', 'string']), setSGroupName: Module.cwrap('indigoSetSGroupName', 'number', ['number', 'string']), getSGroupNumCrossBonds: Module.cwrap('indigoGetSGroupNumCrossBonds', 'number', ['number']), addSGroupAttachmentPoint: Module.cwrap('indigoAddSGroupAttachmentPoint', 'number', ['number', 'number', 'number', 'string']), deleteSGroupAttachmentPoint: Module.cwrap('indigoDeleteSGroupAttachmentPoint', 'number', ['number', 'number']), getSGroupDisplayOption: Module.cwrap('indigoGetSGroupDisplayOption', 'number', ['number']), setSGroupDisplayOption: Module.cwrap('indigoSetSGroupDisplayOption', 'number', ['number', 'number']), getSGroupSeqId: Module.cwrap('indigoGetSGroupSeqId', 'number', ['number']), getSGroupMultiplier: Module.cwrap('indigoGetSGroupMultiplier', 'number', ['number']), setSGroupMultiplier: Module.cwrap('indigoSetSGroupMultiplier', 'number', ['number', 'number']), getRepeatingUnitSubscript: Module.cwrap('indigoGetRepeatingUnitSubscript', 'string', ['number']), getRepeatingUnitConnectivity: Module.cwrap('indigoGetRepeatingUnitConnectivity', 'number', ['number']), setSGroupBrackets: Module.cwrap('indigoSetSGroupBrackets', 'number', ['number', 'number', 'number', 'number', 'number', 'number', 'number', 'number', 'number', 'number']), findSGroups: Module.cwrap('indigoFindSGroups', 'number', ['number', 'string', 'string']), getSGroupType: Module.cwrap('indigoGetSGroupType', 'number', ['number']), getSGroupIndex: Module.cwrap('indigoGetSGroupIndex', 'number', ['number']), getSGroupOriginalId: Module.cwrap('indigoGetSGroupOriginalId', 'number', ['number']), setSGroupOriginalId: Module.cwrap('indigoSetSGroupOriginalId', 'number', ['number', 'number']), getSGroupParentId: Module.cwrap('indigoGetSGroupParentId', 'number', ['number']), setSGroupParentId: Module.cwrap('indigoSetSGroupParentId', 'number', ['number', 'number']), transformSCSRtoCTAB: Module.cwrap('indigoTransformSCSRtoCTAB', 'number', ['number']), transformCTABtoSCSR: Module.cwrap('indigoTransformCTABtoSCSR', 'number', ['number', 'number']), resetCharge: Module.cwrap('indigoResetCharge', 'number', ['number']), resetExplicitValence: Module.cwrap('indigoResetExplicitValence', 'number', ['number']), resetIsotope: Module.cwrap('indigoResetIsotope', 'number', ['number']), setAttachmentPoint: Module.cwrap('indigoSetAttachmentPoint', 'number', ['number', 'number']), clearAttachmentPoints: Module.cwrap('indigoClearAttachmentPoints', 'number', ['number']), removeConstraints: Module.cwrap('indigoRemoveConstraints', 'number', ['number', 'string']), addConstraint: Module.cwrap('indigoAddConstraint', 'number', ['number', 'string', 'string']), addConstraintNot: Module.cwrap('indigoAddConstraintNot', 'number', ['number', 'string', 'string']), addConstraintOr: Module.cwrap('indigoAddConstraintOr', 'number', ['number', 'string', 'string']), resetStereo: Module.cwrap('indigoResetStereo', 'number', ['number']), invertStereo: Module.cwrap('indigoInvertStereo', 'number', ['number']), countAtoms: Module.cwrap('indigoCountAtoms', 'number', ['number']), countBonds: Module.cwrap('indigoCountBonds', 'number', ['number']), countPseudoatoms: Module.cwrap('indigoCountPseudoatoms', 'number', ['number']), countRSites: Module.cwrap('indigoCountRSites', 'number', ['number']), iterateBonds: Module.cwrap('indigoIterateBonds', 'number', ['number']), bondOrder: Module.cwrap('indigoBondOrder', 'number', ['number']), bondStereo: Module.cwrap('indigoBondStereo', 'number', ['number']), topology: Module.cwrap('indigoTopology', 'number', ['number']), iterateNeighbors: Module.cwrap('indigoIterateNeighbors', 'number', ['number']), bond: Module.cwrap('indigoBond', 'number', ['number']), getAtom: Module.cwrap('indigoGetAtom', 'number', ['number', 'number']), getBond: Module.cwrap('indigoGetBond', 'number', ['number', 'number']), source: Module.cwrap('indigoSource', 'number', ['number']), destination: Module.cwrap('indigoDestination', 'number', ['number']), clearCisTrans: Module.cwrap('indigoClearCisTrans', 'number', ['number']), clearStereocenters: Module.cwrap('indigoClearStereocenters', 'number', ['number']), countStereocenters: Module.cwrap('indigoCountStereocenters', 'number', ['number']), clearAlleneCenters: Module.cwrap('indigoClearAlleneCenters', 'number', ['number']), countAlleneCenters: Module.cwrap('indigoCountAlleneCenters', 'number', ['number']), resetSymmetricCisTrans: Module.cwrap('indigoResetSymmetricCisTrans', 'number', ['number']), resetSymmetricStereocenters: Module.cwrap('indigoResetSymmetricStereocenters', 'number', ['number']), markEitherCisTrans: Module.cwrap('indigoMarkEitherCisTrans', 'number', ['number']), markStereobonds: Module.cwrap('indigoMarkStereobonds', 'number', ['number']), validateChirality: Module.cwrap('indigoValidateChirality', 'number', ['number']), addAtom: Module.cwrap('indigoAddAtom', 'number', ['number', 'string']), resetAtom: Module.cwrap('indigoResetAtom', 'number', ['number', 'string']), addRSite: Module.cwrap('indigoAddRSite', 'number', ['number', 'string']), setRSite: Module.cwrap('indigoSetRSite', 'number', ['number', 'string']), setCharge: Module.cwrap('indigoSetCharge', 'number', ['number', 'number']), setIsotope: Module.cwrap('indigoSetIsotope', 'number', ['number', 'number']), getRadicalElectrons: Module.cwrap('indigoGetRadicalElectrons', 'number', ['number', 'number']), getRadical: Module.cwrap('indigoGetRadical', 'number', ['number', 'number']), setRadical: Module.cwrap('indigoSetRadical', 'number', ['number', 'number']), resetRadical: Module.cwrap('indigoResetRadical', 'number', ['number']), setImplicitHCount: Module.cwrap('indigoSetImplicitHCount', 'number', ['number', 'number']), addBond: Module.cwrap('indigoAddBond', 'number', ['number', 'number', 'number']), setBondOrder: Module.cwrap('indigoSetBondOrder', 'number', ['number', 'number']), merge: Module.cwrap('indigoMerge', 'number', ['number', 'number']), highlight: Module.cwrap('indigoHighlight', 'number', ['number']), unhighlight: Module.cwrap('indigoUnhighlight', 'number', ['number']), isHighlighted: Module.cwrap('indigoIsHighlighted', 'number', ['number']), countComponents: Module.cwrap('indigoCountComponents', 'number', ['number']), componentIndex: Module.cwrap('indigoComponentIndex', 'number', ['number']), iterateComponents: Module.cwrap('indigoIterateComponents', 'number', ['number']), component: Module.cwrap('indigoComponent', 'number', ['number', 'number']), countSSSR: Module.cwrap('indigoCountSSSR', 'number', ['number']), iterateSSSR: Module.cwrap('indigoIterateSSSR', 'number', ['number']), iterateSubtrees: Module.cwrap('indigoIterateSubtrees', 'number', ['number', 'number', 'number']), iterateRings: Module.cwrap('indigoIterateRings', 'number', ['number', 'number', 'number']), iterateEdgeSubmolecules: Module.cwrap('indigoIterateEdgeSubmolecules', 'number', ['number', 'number', 'number']), countHeavyAtoms: Module.cwrap('indigoCountHeavyAtoms', 'number', ['number']), grossFormula: Module.cwrap('indigoGrossFormula', 'number', ['number']), molecularWeight: Module.cwrap('indigoMolecularWeight', 'number', ['number']), mostAbundantMass: Module.cwrap('indigoMostAbundantMass', 'number', ['number']), monoisotopicMass: Module.cwrap('indigoMonoisotopicMass', 'number', ['number']), massComposition: Module.cwrap('indigoMassComposition', 'string', ['number']), canonicalSmiles: Module.cwrap('indigoCanonicalSmiles', 'string', ['number']), layeredCode: Module.cwrap('indigoLayeredCode', 'string', ['number']), symmetryClasses: Module.cwrap('indigoSymmetryClasses', 'number', ['number', 'number']), hasCoord: Module.cwrap('indigoHasCoord', 'number', ['number']), hasZCoord: Module.cwrap('indigoHasZCoord', 'number', ['number']), isChiral: Module.cwrap('indigoIsChiral', 'number', ['number']), isPossibleFischerProjection: Module.cwrap('indigoIsPossibleFischerProjection', 'number', ['number', 'string']), createSubmolecule: Module.cwrap('indigoCreateSubmolecule', 'number', ['number', 'number', 'number']), createEdgeSubmolecule: Module.cwrap('indigoCreateEdgeSubmolecule', 'number', ['number', 'number', 'number', 'number', 'number']), getSubmolecule: Module.cwrap('indigoGetSubmolecule', 'number', ['number', 'number', 'number']), removeAtoms: Module.cwrap('indigoRemoveAtoms', 'number', ['number', 'number', 'number']), removeBonds: Module.cwrap('indigoRemoveBonds', 'number', ['number', 'number', 'number']), alignAtoms: Module.cwrap('indigoAlignAtoms', 'number', ['number', 'number', 'number', 'array']), aromatize: Module.cwrap('indigoAromatize', 'number', ['number']), dearomatize: Module.cwrap('indigoDearomatize', 'number', ['number']), foldHydrogens: Module.cwrap('indigoFoldHydrogens', 'number', ['number']), unfoldHydrogens: Module.cwrap('indigoUnfoldHydrogens', 'number', ['number']), layout: Module.cwrap('indigoLayout', 'number', ['number']), clean2d: Module.cwrap('indigoClean2d', 'number', ['number']), smiles: Module.cwrap('indigoSmiles', 'string', ['number']), smarts: Module.cwrap('indigoSmarts', 'string', ['number']), canonicalSmarts: Module.cwrap('indigoCanonicalSmarts', 'string', ['number']), exactMatch: Module.cwrap('indigoExactMatch', 'number', ['number', 'number', 'string']), setTautomerRule: Module.cwrap('indigoSetTautomerRule', 'number', ['number', 'string', 'string']), removeTautomerRule: Module.cwrap('indigoRemoveTautomerRule', 'number', ['number']), clearTautomerRules: Module.cwrap('indigoClearTautomerRules', 'number', []), name: Module.cwrap('indigoName', 'string', ['number']), setName: Module.cwrap('indigoSetName', 'number', ['number', 'string']), unserialize: Module.cwrap('indigoUnserialize', 'number', ['array', 'number']), hasProperty: Module.cwrap('indigoHasProperty', 'number', ['number', 'string']), getProperty: Module.cwrap('indigoGetProperty', 'string', ['number', 'string']), setProperty: Module.cwrap('indigoSetProperty', 'number', ['number', 'string', 'string']), removeProperty: Module.cwrap('indigoRemoveProperty', 'number', ['number', 'string']), iterateProperties: Module.cwrap('indigoIterateProperties', 'number', ['number']), clearProperties: Module.cwrap('indigoClearProperties', 'number', ['number']), checkBadValence: Module.cwrap('indigoCheckBadValence', 'string', ['number']), checkAmbiguousH: Module.cwrap('indigoCheckAmbiguousH', 'string', ['number']), fingerprint: Module.cwrap('indigoFingerprint', 'number', ['number', 'string']), countBits: Module.cwrap('indigoCountBits', 'number', ['number']), commonBits: Module.cwrap('indigoCommonBits', 'number', ['number', 'number']), oneBitsList: Module.cwrap('indigoOneBitsList', 'string', ['number']), similarity: Module.cwrap('indigoSimilarity', 'number', ['number', 'number', 'string']), iterateSDF: Module.cwrap('indigoIterateSDF', 'number', ['number']), iterateRDF: Module.cwrap('indigoIterateRDF', 'number', ['number']), iterateSmiles: Module.cwrap('indigoIterateSmiles', 'number', ['number']), iterateCML: Module.cwrap('indigoIterateCML', 'number', ['number']), iterateCDX: Module.cwrap('indigoIterateCDX', 'number', ['number']), rawData: Module.cwrap('indigoRawData', 'string', ['number']), tell: Module.cwrap('indigoTell', 'number', ['number']), tell64: Module.cwrap('indigoTell64', 'number', ['number']), sdfAppend: Module.cwrap('indigoSdfAppend', 'number', ['number', 'number']), smilesAppend: Module.cwrap('indigoSmilesAppend', 'number', ['number', 'number']), rdfHeader: Module.cwrap('indigoRdfHeader', 'number', ['number']), rdfAppend: Module.cwrap('indigoRdfAppend', 'number', ['number', 'number']), cmlHeader: Module.cwrap('indigoCmlHeader', 'number', ['number']), cmlAppend: Module.cwrap('indigoCmlAppend', 'number', ['number', 'number']), cmlFooter: Module.cwrap('indigoCmlFooter', 'number', ['number']), createSaver: Module.cwrap('indigoCreateSaver', 'number', ['number', 'string']), append: Module.cwrap('indigoAppend', 'number', ['number', 'number']), createArray: Module.cwrap('indigoCreateArray', 'number', []), arrayAdd: Module.cwrap('indigoArrayAdd', 'number', ['number', 'number']), at: Module.cwrap('indigoAt', 'number', ['number', 'number']), count: Module.cwrap('indigoCount', 'number', ['number']), clear: Module.cwrap('indigoClear', 'number', ['number']), iterateArray: Module.cwrap('indigoIterateArray', 'number', ['number']), substructureMatcher: Module.cwrap('indigoSubstructureMatcher', 'number', ['number', 'string']), ignoreAtom: Module.cwrap('indigoIgnoreAtom', 'number', ['number', 'number']), unignoreAtom: Module.cwrap('indigoUnignoreAtom', 'number', ['number', 'number']), unignoreAllAtoms: Module.cwrap('indigoUnignoreAllAtoms', 'number', ['number']), match: Module.cwrap('indigoMatch', 'number', ['number', 'number']), countMatches: Module.cwrap('indigoCountMatches', 'number', ['number', 'number']), countMatchesWithLimit: Module.cwrap('indigoCountMatchesWithLimit', 'number', ['number', 'number', 'number']), iterateMatches: Module.cwrap('indigoIterateMatches', 'number', ['number', 'number']), highlightedTarget: Module.cwrap('indigoHighlightedTarget', 'number', ['number']), mapAtom: Module.cwrap('indigoMapAtom', 'number', ['number', 'number']), mapBond: Module.cwrap('indigoMapBond', 'number', ['number', 'number']), mapMolecule: Module.cwrap('indigoMapMolecule', 'number', ['number', 'number']), iterateTautomers: Module.cwrap('indigoIterateTautomers', 'number', ['number', 'string']), extractCommonScaffold: Module.cwrap('indigoExtractCommonScaffold', 'number', ['number', 'string']), allScaffolds: Module.cwrap('indigoAllScaffolds', 'number', ['number']), decomposeMolecules: Module.cwrap('indigoDecomposeMolecules', 'number', ['number', 'number']), decomposedMoleculeScaffold: Module.cwrap('indigoDecomposedMoleculeScaffold', 'number', ['number']), iterateDecomposedMolecules: Module.cwrap('indigoIterateDecomposedMolecules', 'number', ['number']), decomposedMoleculeHighlighted: Module.cwrap('indigoDecomposedMoleculeHighlighted', 'number', ['number']), decomposedMoleculeWithRGroups: Module.cwrap('indigoDecomposedMoleculeWithRGroups', 'number', ['number']), createDecomposer: Module.cwrap('indigoCreateDecomposer', 'number', ['number']), decomposeMolecule: Module.cwrap('indigoDecomposeMolecule', 'number', ['number', 'number']), iterateDecompositions: Module.cwrap('indigoIterateDecompositions', 'number', ['number']), addDecomposition: Module.cwrap('indigoAddDecomposition', 'number', ['number', 'number']), getFragmentedMolecule: Module.cwrap('indigoGetFragmentedMolecule', 'number', ['number', 'string']), rGroupComposition: Module.cwrap('indigoRGroupComposition', 'number', ['number', 'string']), expandAbbreviations: Module.cwrap('indigoExpandAbbreviations', 'number', ['number']), toString: Module.cwrap('indigoToString', 'string', ['number']), reactionProductEnumerate: Module.cwrap('indigoReactionProductEnumerate', 'number', ['number', 'number']), transform: Module.cwrap('indigoTransform', 'number', ['number', 'number']), transformHELMtoSCSR: Module.cwrap('indigoTransformHELMtoSCSR', 'number', ['number']), dbgInternalType: Module.cwrap('indigoDbgInternalType', 'string', ['number']), dbgBreakpoint: Module.cwrap('indigoDbgBreakpoint', null, []), dbgProfiling: Module.cwrap('indigoDbgProfiling', 'string', ['number']), dbgResetProfiling: Module.cwrap('indigoDbgResetProfiling', 'number', ['number']), dbgProfilingGetCounter: Module.cwrap('indigoDbgProfilingGetCounter', 'number', ['string', 'number']) }; result._module = Module; // save module object return result; };