RDKit
Open-source cheminformatics and machine learning.
RDKit::common_properties Namespace Reference

Variables

const std::string _Name
 
const std::string MolFileInfo
 
const std::string MolFileComments
 
const std::string _2DConf
 
const std::string _3DConf
 
const std::string _doIsoSmiles
 
const std::string extraRings
 
const std::string _smilesAtomOutputOrder
 
const std::string _StereochemDone
 
const std::string _NeedsQueryScan
 
const std::string _fragSMARTS
 
const std::string maxAttachIdx
 
const std::string origNoImplicit
 
const std::string ringMembership
 
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 _labuteASA
 
const std::string _labuteAtomContribs
 
const std::string _labuteAtomHContrib
 
const std::string _tpsa
 
const std::string _tpsaAtomContribs
 
const std::string numArom
 
const std::string _MMFFSanitized
 
const std::string _CrippenLogP
 
const std::string _CrippenMR
 
const std::string _BondsPotentialStereo
 
const std::string _CIPCode
 
const std::string _CIPRank
 
const std::string _ChiralityPossible
 
const std::string _UnknownStereo
 
const std::string _ringStereoAtoms
 
const std::string _ringStereochemCand
 
const std::string _ringStereoWarning
 
const std::string _SmilesStart
 
const std::string _TraversalBondIndexOrder
 
const std::string _TraversalRingClosureBond
 
const std::string _TraversalStartPoint
 
const std::string _queryRootAtom
 
const std::string _hasMassQuery
 
const std::string _protected
 
const std::string _supplementalSmilesLabel
 
const std::string _unspecifiedOrder
 
const std::string _RingClosures
 
const std::string atomLabel
 
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 _MolFileRLabel
 
const std::string _MolFileChiralFlag
 
const std::string dummyLabel
 
const std::string _QueryFormalCharge
 
const std::string _QueryHCount
 
const std::string _QueryIsotope
 
const std::string _QueryMass
 
const std::string _ReactionDegreeChanged
 
const std::string NullBond
 
const std::string _rgroupAtomMaps
 
const std::string _rgroupBonds
 
const std::string _AtomID
 
const std::string _starred
 
const std::string _SLN_s
 
const std::string _Unfinished_SLN_
 
const std::string _brokenChirality
 
const std::string isImplicit
 
const std::string smilesSymbol
 
const std::string _TriposAtomType
 
const std::string TWOD
 
const std::string BalabanJ
 
const std::string BalanbanJ
 
const std::string Discrims
 
const std::string DistanceMatrix_Paths
 

Variable Documentation

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::_rgroupAtomMaps
const std::string RDKit::common_properties::_rgroupBonds
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::_TraversalStartPoint
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::atomLabel
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
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