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RDKit
Open-source cheminformatics and machine learning.
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Variables | |
const std::string | TWOD |
const std::string | BalabanJ |
const std::string | BalanbanJ |
const std::string | Discrims |
const std::string | DistanceMatrix_Paths |
const std::string | MolFileComments |
const std::string | MolFileInfo |
const std::string | NullBond |
const std::string | _2DConf |
const std::string | _3DConf |
const std::string | _AtomID |
const std::string | _BondsPotentialStereo |
const std::string | _CIPCode |
const std::string | _CIPRank |
const std::string | _ChiralityPossible |
const std::string | _CrippenLogP |
const std::string | _CrippenMR |
const std::string | _MMFFSanitized |
const std::string | _MolFileChiralFlag |
const std::string | _MolFileRLabel |
const std::string | _Name |
const std::string | _NeedsQueryScan |
const std::string | _QueryFormalCharge |
const std::string | _QueryHCount |
const std::string | _QueryIsotope |
const std::string | _QueryMass |
const std::string | _ReactionDegreeChanged |
const std::string | _RingClosures |
const std::string | _SLN_s |
const std::string | _SmilesStart |
const std::string | _StereochemDone |
const std::string | _TraversalBondIndexOrder |
const std::string | _TraversalRingClosureBond |
const std::string | _TriposAtomType |
const std::string | _Unfinished_SLN_ |
const std::string | _UnknownStereo |
const std::string | _connectivityHKDeltas |
const std::string | _connectivityNVals |
const std::string | _crippenLogP |
const std::string | _crippenLogPContribs |
const std::string | _crippenMR |
const std::string | _crippenMRContribs |
const std::string | _doIsoSmiles |
const std::string | _fragSMARTS |
const std::string | _hasMassQuery |
const std::string | _labuteASA |
const std::string | _labuteAtomContribs |
const std::string | _labuteAtomHContrib |
const std::string | _protected |
const std::string | _queryRootAtom |
const std::string | _ringStereoAtoms |
const std::string | _ringStereoWarning |
const std::string | _ringStereochemCand |
const std::string | _smilesAtomOutputOrder |
const std::string | _starred |
const std::string | _supplementalSmilesLabel |
const std::string | _tpsa |
const std::string | _tpsaAtomContribs |
const std::string | _unspecifiedOrder |
const std::string | _brokenChirality |
const std::string | dummyLabel |
const std::string | extraRings |
const std::string | isImplicit |
const std::string | maxAttachIdx |
const std::string | molAtomMapNumber |
const std::string | molFileAlias |
const std::string | molFileValue |
const std::string | molInversionFlag |
const std::string | molParity |
const std::string | molRxnComponent |
const std::string | molRxnRole |
const std::string | molTotValence |
const std::string | numArom |
const std::string | origNoImplicit |
const std::string | ringMembership |
const std::string | smilesSymbol |
const std::string RDKit::common_properties::_2DConf |
const std::string RDKit::common_properties::_3DConf |
const std::string RDKit::common_properties::_AtomID |
const std::string RDKit::common_properties::_BondsPotentialStereo |
const std::string RDKit::common_properties::_brokenChirality |
const std::string RDKit::common_properties::_ChiralityPossible |
const std::string RDKit::common_properties::_CIPCode |
const std::string RDKit::common_properties::_CIPRank |
const std::string RDKit::common_properties::_connectivityHKDeltas |
const std::string RDKit::common_properties::_connectivityNVals |
const std::string RDKit::common_properties::_CrippenLogP |
const std::string RDKit::common_properties::_crippenLogP |
const std::string RDKit::common_properties::_crippenLogPContribs |
const std::string RDKit::common_properties::_CrippenMR |
const std::string RDKit::common_properties::_crippenMR |
const std::string RDKit::common_properties::_crippenMRContribs |
const std::string RDKit::common_properties::_doIsoSmiles |
const std::string RDKit::common_properties::_fragSMARTS |
const std::string RDKit::common_properties::_hasMassQuery |
const std::string RDKit::common_properties::_labuteASA |
const std::string RDKit::common_properties::_labuteAtomContribs |
const std::string RDKit::common_properties::_labuteAtomHContrib |
const std::string RDKit::common_properties::_MMFFSanitized |
const std::string RDKit::common_properties::_MolFileChiralFlag |
const std::string RDKit::common_properties::_MolFileRLabel |
const std::string RDKit::common_properties::_Name |
const std::string RDKit::common_properties::_NeedsQueryScan |
const std::string RDKit::common_properties::_protected |
const std::string RDKit::common_properties::_QueryFormalCharge |
const std::string RDKit::common_properties::_QueryHCount |
const std::string RDKit::common_properties::_QueryIsotope |
const std::string RDKit::common_properties::_QueryMass |
const std::string RDKit::common_properties::_queryRootAtom |
const std::string RDKit::common_properties::_ReactionDegreeChanged |
const std::string RDKit::common_properties::_RingClosures |
const std::string RDKit::common_properties::_ringStereoAtoms |
const std::string RDKit::common_properties::_ringStereochemCand |
const std::string RDKit::common_properties::_ringStereoWarning |
const std::string RDKit::common_properties::_SLN_s |
const std::string RDKit::common_properties::_smilesAtomOutputOrder |
const std::string RDKit::common_properties::_SmilesStart |
const std::string RDKit::common_properties::_starred |
const std::string RDKit::common_properties::_StereochemDone |
const std::string RDKit::common_properties::_supplementalSmilesLabel |
const std::string RDKit::common_properties::_tpsa |
const std::string RDKit::common_properties::_tpsaAtomContribs |
const std::string RDKit::common_properties::_TraversalBondIndexOrder |
const std::string RDKit::common_properties::_TraversalRingClosureBond |
const std::string RDKit::common_properties::_TriposAtomType |
const std::string RDKit::common_properties::_Unfinished_SLN_ |
const std::string RDKit::common_properties::_UnknownStereo |
const std::string RDKit::common_properties::_unspecifiedOrder |
const std::string RDKit::common_properties::BalabanJ |
const std::string RDKit::common_properties::BalanbanJ |
const std::string RDKit::common_properties::Discrims |
const std::string RDKit::common_properties::DistanceMatrix_Paths |
const std::string RDKit::common_properties::dummyLabel |
const std::string RDKit::common_properties::extraRings |
const std::string RDKit::common_properties::isImplicit |
const std::string RDKit::common_properties::maxAttachIdx |
const std::string RDKit::common_properties::molAtomMapNumber |
Referenced by RDKit::Drawing::detail::getAtomSymbolAndOrientation().
const std::string RDKit::common_properties::molFileAlias |
const std::string RDKit::common_properties::MolFileComments |
const std::string RDKit::common_properties::MolFileInfo |
const std::string RDKit::common_properties::molFileValue |
const std::string RDKit::common_properties::molInversionFlag |
const std::string RDKit::common_properties::molParity |
const std::string RDKit::common_properties::molRxnComponent |
const std::string RDKit::common_properties::molRxnRole |
const std::string RDKit::common_properties::molTotValence |
const std::string RDKit::common_properties::NullBond |
const std::string RDKit::common_properties::numArom |
const std::string RDKit::common_properties::origNoImplicit |
const std::string RDKit::common_properties::ringMembership |
const std::string RDKit::common_properties::smilesSymbol |
const std::string RDKit::common_properties::TWOD |