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

Variables

const RDKIT_RDGENERAL_EXPORT std::string _Name
 
const RDKIT_RDGENERAL_EXPORT std::string MolFileInfo
 
const RDKIT_RDGENERAL_EXPORT std::string MolFileComments
 
const RDKIT_RDGENERAL_EXPORT std::string _2DConf
 
const RDKIT_RDGENERAL_EXPORT std::string _3DConf
 
const RDKIT_RDGENERAL_EXPORT std::string _doIsoSmiles
 
const RDKIT_RDGENERAL_EXPORT std::string extraRings
 
const RDKIT_RDGENERAL_EXPORT std::string _smilesAtomOutputOrder
 
const RDKIT_RDGENERAL_EXPORT std::string _StereochemDone
 
const RDKIT_RDGENERAL_EXPORT std::string _NeedsQueryScan
 
const RDKIT_RDGENERAL_EXPORT std::string _fragSMARTS
 
const RDKIT_RDGENERAL_EXPORT std::string maxAttachIdx
 
const RDKIT_RDGENERAL_EXPORT std::string origNoImplicit
 
const RDKIT_RDGENERAL_EXPORT std::string ringMembership
 
const RDKIT_RDGENERAL_EXPORT std::string _connectivityHKDeltas
 
const RDKIT_RDGENERAL_EXPORT std::string _connectivityNVals
 
const RDKIT_RDGENERAL_EXPORT std::string _crippenLogP
 
const RDKIT_RDGENERAL_EXPORT std::string _crippenLogPContribs
 
const RDKIT_RDGENERAL_EXPORT std::string _crippenMR
 
const RDKIT_RDGENERAL_EXPORT std::string _crippenMRContribs
 
const RDKIT_RDGENERAL_EXPORT std::string _labuteASA
 
const RDKIT_RDGENERAL_EXPORT std::string _labuteAtomContribs
 
const RDKIT_RDGENERAL_EXPORT std::string _labuteAtomHContrib
 
const RDKIT_RDGENERAL_EXPORT std::string _tpsa
 
const RDKIT_RDGENERAL_EXPORT std::string _tpsaAtomContribs
 
const RDKIT_RDGENERAL_EXPORT std::string numArom
 
const RDKIT_RDGENERAL_EXPORT std::string _MMFFSanitized
 
const RDKIT_RDGENERAL_EXPORT std::string _CrippenLogP
 
const RDKIT_RDGENERAL_EXPORT std::string _CrippenMR
 
const RDKIT_RDGENERAL_EXPORT std::string _GasteigerCharge
 
const RDKIT_RDGENERAL_EXPORT std::string _GasteigerHCharge
 
const RDKIT_RDGENERAL_EXPORT std::string _BondsPotentialStereo
 
const RDKIT_RDGENERAL_EXPORT std::string _CIPCode
 
const RDKIT_RDGENERAL_EXPORT std::string _CIPRank
 
const RDKIT_RDGENERAL_EXPORT std::string _ChiralityPossible
 
const RDKIT_RDGENERAL_EXPORT std::string _UnknownStereo
 
const RDKIT_RDGENERAL_EXPORT std::string _ringStereoAtoms
 
const RDKIT_RDGENERAL_EXPORT std::string _ringStereochemCand
 
const RDKIT_RDGENERAL_EXPORT std::string _ringStereoWarning
 
const RDKIT_RDGENERAL_EXPORT std::string _SmilesStart
 
const RDKIT_RDGENERAL_EXPORT std::string _TraversalBondIndexOrder
 
const RDKIT_RDGENERAL_EXPORT std::string _TraversalRingClosureBond
 
const RDKIT_RDGENERAL_EXPORT std::string _TraversalStartPoint
 
const RDKIT_RDGENERAL_EXPORT std::string _queryRootAtom
 
const RDKIT_RDGENERAL_EXPORT std::string _hasMassQuery
 
const RDKIT_RDGENERAL_EXPORT std::string _protected
 
const RDKIT_RDGENERAL_EXPORT std::string _supplementalSmilesLabel
 
const RDKIT_RDGENERAL_EXPORT std::string _unspecifiedOrder
 
const RDKIT_RDGENERAL_EXPORT std::string _RingClosures
 
const RDKIT_RDGENERAL_EXPORT std::string atomLabel
 
const RDKIT_RDGENERAL_EXPORT std::string molAtomMapNumber
 
const RDKIT_RDGENERAL_EXPORT std::string molFileAlias
 
const RDKIT_RDGENERAL_EXPORT std::string molFileValue
 
const RDKIT_RDGENERAL_EXPORT std::string molInversionFlag
 
const RDKIT_RDGENERAL_EXPORT std::string molParity
 
const RDKIT_RDGENERAL_EXPORT std::string molRxnComponent
 
const RDKIT_RDGENERAL_EXPORT std::string molRxnRole
 
const RDKIT_RDGENERAL_EXPORT std::string molTotValence
 
const RDKIT_RDGENERAL_EXPORT std::string _MolFileRLabel
 
const RDKIT_RDGENERAL_EXPORT std::string _MolFileChiralFlag
 
const RDKIT_RDGENERAL_EXPORT std::string _MolFileAtomQuery
 
const RDKIT_RDGENERAL_EXPORT std::string _MolFileBondQuery
 
const RDKIT_RDGENERAL_EXPORT std::string _MolFileBondEndPts
 
const RDKIT_RDGENERAL_EXPORT std::string _MolFileBondAttach
 
const RDKIT_RDGENERAL_EXPORT std::string _MolFileBondType
 
const RDKIT_RDGENERAL_EXPORT std::string _MolFileBondStereo
 
const RDKIT_RDGENERAL_EXPORT std::string _MolFileBondCfg
 
const RDKIT_RDGENERAL_EXPORT std::string MRV_SMA
 
const RDKIT_RDGENERAL_EXPORT std::string dummyLabel
 
const RDKIT_RDGENERAL_EXPORT std::string _QueryFormalCharge
 
const RDKIT_RDGENERAL_EXPORT std::string _QueryHCount
 
const RDKIT_RDGENERAL_EXPORT std::string _QueryIsotope
 
const RDKIT_RDGENERAL_EXPORT std::string _QueryMass
 
const RDKIT_RDGENERAL_EXPORT std::string _ReactionDegreeChanged
 
const RDKIT_RDGENERAL_EXPORT std::string NullBond
 
const RDKIT_RDGENERAL_EXPORT std::string _rgroupAtomMaps
 
const RDKIT_RDGENERAL_EXPORT std::string _rgroupBonds
 
const RDKIT_RDGENERAL_EXPORT std::string reactantAtomIdx
 
const RDKIT_RDGENERAL_EXPORT std::string reactionMapNum
 
const RDKIT_RDGENERAL_EXPORT std::string _AtomID
 
const RDKIT_RDGENERAL_EXPORT std::string _starred
 
const RDKIT_RDGENERAL_EXPORT std::string _SLN_s
 
const RDKIT_RDGENERAL_EXPORT std::string _Unfinished_SLN_
 
const RDKIT_RDGENERAL_EXPORT std::string _brokenChirality
 
const RDKIT_RDGENERAL_EXPORT std::string isImplicit
 
const RDKIT_RDGENERAL_EXPORT std::string smilesSymbol
 
const RDKIT_RDGENERAL_EXPORT std::string _TriposAtomType
 
const RDKIT_RDGENERAL_EXPORT std::string TWOD
 
const RDKIT_RDGENERAL_EXPORT std::string BalabanJ
 
const RDKIT_RDGENERAL_EXPORT std::string BalanbanJ
 
const RDKIT_RDGENERAL_EXPORT std::string Discrims
 
const RDKIT_RDGENERAL_EXPORT std::string DistanceMatrix_Paths
 
const RDKIT_RDGENERAL_EXPORT std::string internalRgroupSmiles
 

Variable Documentation

◆ _2DConf

const RDKIT_RDGENERAL_EXPORT std::string RDKit::common_properties::_2DConf

◆ _3DConf

const RDKIT_RDGENERAL_EXPORT std::string RDKit::common_properties::_3DConf

◆ _AtomID

const RDKIT_RDGENERAL_EXPORT std::string RDKit::common_properties::_AtomID

◆ _BondsPotentialStereo

const RDKIT_RDGENERAL_EXPORT std::string RDKit::common_properties::_BondsPotentialStereo

◆ _brokenChirality

const RDKIT_RDGENERAL_EXPORT std::string RDKit::common_properties::_brokenChirality

◆ _ChiralityPossible

const RDKIT_RDGENERAL_EXPORT std::string RDKit::common_properties::_ChiralityPossible

Referenced by RDKit::queryAtomMissingChiralTag().

◆ _CIPCode

const RDKIT_RDGENERAL_EXPORT std::string RDKit::common_properties::_CIPCode

◆ _CIPRank

const RDKIT_RDGENERAL_EXPORT std::string RDKit::common_properties::_CIPRank

◆ _connectivityHKDeltas

const RDKIT_RDGENERAL_EXPORT std::string RDKit::common_properties::_connectivityHKDeltas

◆ _connectivityNVals

const RDKIT_RDGENERAL_EXPORT std::string RDKit::common_properties::_connectivityNVals

◆ _crippenLogP

const RDKIT_RDGENERAL_EXPORT std::string RDKit::common_properties::_crippenLogP

◆ _CrippenLogP

const RDKIT_RDGENERAL_EXPORT std::string RDKit::common_properties::_CrippenLogP

◆ _crippenLogPContribs

const RDKIT_RDGENERAL_EXPORT std::string RDKit::common_properties::_crippenLogPContribs

◆ _crippenMR

const RDKIT_RDGENERAL_EXPORT std::string RDKit::common_properties::_crippenMR

◆ _CrippenMR

const RDKIT_RDGENERAL_EXPORT std::string RDKit::common_properties::_CrippenMR

◆ _crippenMRContribs

const RDKIT_RDGENERAL_EXPORT std::string RDKit::common_properties::_crippenMRContribs

◆ _doIsoSmiles

const RDKIT_RDGENERAL_EXPORT std::string RDKit::common_properties::_doIsoSmiles

◆ _fragSMARTS

const RDKIT_RDGENERAL_EXPORT std::string RDKit::common_properties::_fragSMARTS

◆ _GasteigerCharge

const RDKIT_RDGENERAL_EXPORT std::string RDKit::common_properties::_GasteigerCharge

◆ _GasteigerHCharge

const RDKIT_RDGENERAL_EXPORT std::string RDKit::common_properties::_GasteigerHCharge

◆ _hasMassQuery

const RDKIT_RDGENERAL_EXPORT std::string RDKit::common_properties::_hasMassQuery

◆ _labuteASA

const RDKIT_RDGENERAL_EXPORT std::string RDKit::common_properties::_labuteASA

◆ _labuteAtomContribs

const RDKIT_RDGENERAL_EXPORT std::string RDKit::common_properties::_labuteAtomContribs

◆ _labuteAtomHContrib

const RDKIT_RDGENERAL_EXPORT std::string RDKit::common_properties::_labuteAtomHContrib

◆ _MMFFSanitized

const RDKIT_RDGENERAL_EXPORT std::string RDKit::common_properties::_MMFFSanitized

◆ _MolFileAtomQuery

const RDKIT_RDGENERAL_EXPORT std::string RDKit::common_properties::_MolFileAtomQuery

◆ _MolFileBondAttach

const RDKIT_RDGENERAL_EXPORT std::string RDKit::common_properties::_MolFileBondAttach

◆ _MolFileBondCfg

const RDKIT_RDGENERAL_EXPORT std::string RDKit::common_properties::_MolFileBondCfg

◆ _MolFileBondEndPts

const RDKIT_RDGENERAL_EXPORT std::string RDKit::common_properties::_MolFileBondEndPts

◆ _MolFileBondQuery

const RDKIT_RDGENERAL_EXPORT std::string RDKit::common_properties::_MolFileBondQuery

◆ _MolFileBondStereo

const RDKIT_RDGENERAL_EXPORT std::string RDKit::common_properties::_MolFileBondStereo

◆ _MolFileBondType

const RDKIT_RDGENERAL_EXPORT std::string RDKit::common_properties::_MolFileBondType

◆ _MolFileChiralFlag

const RDKIT_RDGENERAL_EXPORT std::string RDKit::common_properties::_MolFileChiralFlag

◆ _MolFileRLabel

const RDKIT_RDGENERAL_EXPORT std::string RDKit::common_properties::_MolFileRLabel

◆ _Name

const RDKIT_RDGENERAL_EXPORT std::string RDKit::common_properties::_Name

◆ _NeedsQueryScan

const RDKIT_RDGENERAL_EXPORT std::string RDKit::common_properties::_NeedsQueryScan

◆ _protected

const RDKIT_RDGENERAL_EXPORT std::string RDKit::common_properties::_protected

◆ _QueryFormalCharge

const RDKIT_RDGENERAL_EXPORT std::string RDKit::common_properties::_QueryFormalCharge

◆ _QueryHCount

const RDKIT_RDGENERAL_EXPORT std::string RDKit::common_properties::_QueryHCount

◆ _QueryIsotope

const RDKIT_RDGENERAL_EXPORT std::string RDKit::common_properties::_QueryIsotope

◆ _QueryMass

const RDKIT_RDGENERAL_EXPORT std::string RDKit::common_properties::_QueryMass

◆ _queryRootAtom

const RDKIT_RDGENERAL_EXPORT std::string RDKit::common_properties::_queryRootAtom

◆ _ReactionDegreeChanged

const RDKIT_RDGENERAL_EXPORT std::string RDKit::common_properties::_ReactionDegreeChanged

◆ _rgroupAtomMaps

const RDKIT_RDGENERAL_EXPORT std::string RDKit::common_properties::_rgroupAtomMaps

◆ _rgroupBonds

const RDKIT_RDGENERAL_EXPORT std::string RDKit::common_properties::_rgroupBonds

◆ _RingClosures

const RDKIT_RDGENERAL_EXPORT std::string RDKit::common_properties::_RingClosures

◆ _ringStereoAtoms

const RDKIT_RDGENERAL_EXPORT std::string RDKit::common_properties::_ringStereoAtoms

◆ _ringStereochemCand

const RDKIT_RDGENERAL_EXPORT std::string RDKit::common_properties::_ringStereochemCand

◆ _ringStereoWarning

const RDKIT_RDGENERAL_EXPORT std::string RDKit::common_properties::_ringStereoWarning

◆ _SLN_s

const RDKIT_RDGENERAL_EXPORT std::string RDKit::common_properties::_SLN_s

◆ _smilesAtomOutputOrder

const RDKIT_RDGENERAL_EXPORT std::string RDKit::common_properties::_smilesAtomOutputOrder

◆ _SmilesStart

const RDKIT_RDGENERAL_EXPORT std::string RDKit::common_properties::_SmilesStart

◆ _starred

const RDKIT_RDGENERAL_EXPORT std::string RDKit::common_properties::_starred

◆ _StereochemDone

const RDKIT_RDGENERAL_EXPORT std::string RDKit::common_properties::_StereochemDone

◆ _supplementalSmilesLabel

const RDKIT_RDGENERAL_EXPORT std::string RDKit::common_properties::_supplementalSmilesLabel

◆ _tpsa

const RDKIT_RDGENERAL_EXPORT std::string RDKit::common_properties::_tpsa

◆ _tpsaAtomContribs

const RDKIT_RDGENERAL_EXPORT std::string RDKit::common_properties::_tpsaAtomContribs

◆ _TraversalBondIndexOrder

const RDKIT_RDGENERAL_EXPORT std::string RDKit::common_properties::_TraversalBondIndexOrder

◆ _TraversalRingClosureBond

const RDKIT_RDGENERAL_EXPORT std::string RDKit::common_properties::_TraversalRingClosureBond

◆ _TraversalStartPoint

const RDKIT_RDGENERAL_EXPORT std::string RDKit::common_properties::_TraversalStartPoint

◆ _TriposAtomType

const RDKIT_RDGENERAL_EXPORT std::string RDKit::common_properties::_TriposAtomType

◆ _Unfinished_SLN_

const RDKIT_RDGENERAL_EXPORT std::string RDKit::common_properties::_Unfinished_SLN_

◆ _UnknownStereo

const RDKIT_RDGENERAL_EXPORT std::string RDKit::common_properties::_UnknownStereo

◆ _unspecifiedOrder

const RDKIT_RDGENERAL_EXPORT std::string RDKit::common_properties::_unspecifiedOrder

◆ atomLabel

const RDKIT_RDGENERAL_EXPORT std::string RDKit::common_properties::atomLabel

◆ BalabanJ

const RDKIT_RDGENERAL_EXPORT std::string RDKit::common_properties::BalabanJ

◆ BalanbanJ

const RDKIT_RDGENERAL_EXPORT std::string RDKit::common_properties::BalanbanJ

◆ Discrims

const RDKIT_RDGENERAL_EXPORT std::string RDKit::common_properties::Discrims

◆ DistanceMatrix_Paths

const RDKIT_RDGENERAL_EXPORT std::string RDKit::common_properties::DistanceMatrix_Paths

◆ dummyLabel

const RDKIT_RDGENERAL_EXPORT std::string RDKit::common_properties::dummyLabel

◆ extraRings

const RDKIT_RDGENERAL_EXPORT std::string RDKit::common_properties::extraRings

◆ internalRgroupSmiles

const RDKIT_RDGENERAL_EXPORT std::string RDKit::common_properties::internalRgroupSmiles

◆ isImplicit

const RDKIT_RDGENERAL_EXPORT std::string RDKit::common_properties::isImplicit

◆ maxAttachIdx

const RDKIT_RDGENERAL_EXPORT std::string RDKit::common_properties::maxAttachIdx

◆ molAtomMapNumber

const RDKIT_RDGENERAL_EXPORT std::string RDKit::common_properties::molAtomMapNumber

Referenced by RDKit::Atom::getAtomMapNum(), and RDKit::Atom::setAtomMapNum().

◆ molFileAlias

const RDKIT_RDGENERAL_EXPORT std::string RDKit::common_properties::molFileAlias

◆ MolFileComments

const RDKIT_RDGENERAL_EXPORT std::string RDKit::common_properties::MolFileComments

◆ MolFileInfo

const RDKIT_RDGENERAL_EXPORT std::string RDKit::common_properties::MolFileInfo

◆ molFileValue

const RDKIT_RDGENERAL_EXPORT std::string RDKit::common_properties::molFileValue

◆ molInversionFlag

const RDKIT_RDGENERAL_EXPORT std::string RDKit::common_properties::molInversionFlag

◆ molParity

const RDKIT_RDGENERAL_EXPORT std::string RDKit::common_properties::molParity

◆ molRxnComponent

const RDKIT_RDGENERAL_EXPORT std::string RDKit::common_properties::molRxnComponent

◆ molRxnRole

const RDKIT_RDGENERAL_EXPORT std::string RDKit::common_properties::molRxnRole

◆ molTotValence

const RDKIT_RDGENERAL_EXPORT std::string RDKit::common_properties::molTotValence

◆ MRV_SMA

const RDKIT_RDGENERAL_EXPORT std::string RDKit::common_properties::MRV_SMA

◆ NullBond

const RDKIT_RDGENERAL_EXPORT std::string RDKit::common_properties::NullBond

◆ numArom

const RDKIT_RDGENERAL_EXPORT std::string RDKit::common_properties::numArom

◆ origNoImplicit

const RDKIT_RDGENERAL_EXPORT std::string RDKit::common_properties::origNoImplicit

◆ reactantAtomIdx

const RDKIT_RDGENERAL_EXPORT std::string RDKit::common_properties::reactantAtomIdx

◆ reactionMapNum

const RDKIT_RDGENERAL_EXPORT std::string RDKit::common_properties::reactionMapNum

◆ ringMembership

const RDKIT_RDGENERAL_EXPORT std::string RDKit::common_properties::ringMembership

◆ smilesSymbol

const RDKIT_RDGENERAL_EXPORT std::string RDKit::common_properties::smilesSymbol

◆ TWOD

const RDKIT_RDGENERAL_EXPORT std::string RDKit::common_properties::TWOD