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RDKit::common_properties Namespace Reference

## Variables

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

## Variable Documentation

## _2DConf

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

extern

## _3DConf

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

extern

## _AtomID

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

extern

## _BondsPotentialStereo

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

extern

## _brokenChirality

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

extern

## _ChiralAtomRank

RDKIT_RDGENERAL_EXPORT const std::string RDKit::common_properties::_ChiralAtomRank

extern

## _ChiralityPossible

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

extern

Referenced by RDKit::queryAtomMissingChiralTag().

## _chiralPermutation

RDKIT_RDGENERAL_EXPORT const std::string RDKit::common_properties::_chiralPermutation

extern

## _CIPCode

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

extern

## _CIPRank

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

extern

## _connectivityHKDeltas

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

extern

## _connectivityNVals

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

extern

## _crippenLogP

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

extern

## _CrippenLogP

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

extern

## _crippenLogPContribs

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

extern

## _crippenMR

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

extern

## _CrippenMR

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

extern

## _crippenMRContribs

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

extern

## _displayLabel

RDKIT_RDGENERAL_EXPORT const std::string RDKit::common_properties::_displayLabel

extern

## _displayLabelW

RDKIT_RDGENERAL_EXPORT const std::string RDKit::common_properties::_displayLabelW

extern

## _doIsoSmiles

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

extern

## _fragSMARTS

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

extern

## _GasteigerCharge

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

extern

## _GasteigerHCharge

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

extern

## _hasMassQuery

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

extern

## _isotopicHs

RDKIT_RDGENERAL_EXPORT const std::string RDKit::common_properties::_isotopicHs

extern

## _labuteASA

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

extern

## _labuteAtomContribs

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

extern

## _labuteAtomHContrib

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

extern

## _MMFFSanitized

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

extern

## _MolFileAtomQuery

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

extern

## _MolFileBondAttach

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

extern

## _MolFileBondCfg

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

extern

## _MolFileBondEndPts

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

extern

## _MolFileBondQuery

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

extern

## _MolFileBondStereo

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

extern

## _MolFileBondType

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

extern

## _MolFileChiralFlag

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

extern

## _MolFileRLabel

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

extern

## _Name

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

extern

## _NeedsQueryScan

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

extern

## _protected

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

extern

## _QueryAtomGenericLabel

RDKIT_RDGENERAL_EXPORT const std::string RDKit::common_properties::_QueryAtomGenericLabel

extern

## _QueryFormalCharge

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

extern

## _QueryHCount

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

extern

## _QueryIsotope

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

extern

## _QueryMass

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

extern

## _queryRootAtom

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

extern

## _ReactionDegreeChanged

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

extern

## _rgroupAtomMaps

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

extern

## _rgroupBonds

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

extern

## _RingClosures

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

extern

## _ringStereoAtoms

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

extern

## _ringStereochemCand

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

extern

## _ringStereoWarning

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

extern

## _SLN_s

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

extern

## _smilesAtomOutputOrder

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

extern

## _smilesBondOutputOrder

RDKIT_RDGENERAL_EXPORT const std::string RDKit::common_properties::_smilesBondOutputOrder

extern

## _SmilesStart

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

extern

## _starred

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

extern

## _StereochemDone

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

extern

## _supplementalSmilesLabel

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

extern

## _tpsa

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

extern

## _tpsaAtomContribs

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

extern

## _TraversalBondIndexOrder

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

extern

## _TraversalRingClosureBond

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

extern

## _TraversalStartPoint

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

extern

## _TriposAtomType

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

extern

## _Unfinished_SLN_

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

extern

## _UnknownStereo

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

extern

## _unspecifiedOrder

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

extern

## atomLabel

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

extern

## atomNote

RDKIT_RDGENERAL_EXPORT const std::string RDKit::common_properties::atomNote

extern

Referenced by RDKit::MolDraw2D_detail::addAtomIndices().

## BalabanJ

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

extern

## BalanbanJ

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

extern

## bondNote

RDKIT_RDGENERAL_EXPORT const std::string RDKit::common_properties::bondNote

extern

Referenced by RDKit::MolDraw2D_detail::addBondIndices().

## Discrims

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

extern

## DistanceMatrix_Paths

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

extern

## dummyLabel

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

extern

## extraRings

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

extern

## internalRgroupSmiles

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

extern

## isImplicit

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

extern

## maxAttachIdx

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

extern

## molAtomClass

RDKIT_RDGENERAL_EXPORT const std::string RDKit::common_properties::molAtomClass

extern

## molAtomMapNumber

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

extern

## molAtomSeqId

RDKIT_RDGENERAL_EXPORT const std::string RDKit::common_properties::molAtomSeqId

extern

## molAttachOrder

RDKIT_RDGENERAL_EXPORT const std::string RDKit::common_properties::molAttachOrder

extern

## molAttachPoint

RDKIT_RDGENERAL_EXPORT const std::string RDKit::common_properties::molAttachPoint

extern

## molFileAlias

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

extern

## MolFileComments

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

extern

## MolFileInfo

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

extern

## molFileLinkNodes

RDKIT_RDGENERAL_EXPORT const std::string RDKit::common_properties::molFileLinkNodes

extern

Referenced by RDKit::MolEnumerator::utils::getMolLinkNodes().

## molFileValue

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

extern

## molInversionFlag

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

extern

## molNote

RDKIT_RDGENERAL_EXPORT const std::string RDKit::common_properties::molNote

extern

## molParity

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

extern

## molReactStatus

RDKIT_RDGENERAL_EXPORT const std::string RDKit::common_properties::molReactStatus

extern

## molRxnComponent

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

extern

## molRxnExactChange

RDKIT_RDGENERAL_EXPORT const std::string RDKit::common_properties::molRxnExactChange

extern

## molRxnRole

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

extern

## molStereoCare

RDKIT_RDGENERAL_EXPORT const std::string RDKit::common_properties::molStereoCare

extern

## molSubstCount

RDKIT_RDGENERAL_EXPORT const std::string RDKit::common_properties::molSubstCount

extern

## molTotValence

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

extern

## MRV_SMA

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

extern

## NullBond

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

extern

## numArom

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

extern

## origNoImplicit

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

extern

## OxidationNumber

RDKIT_RDGENERAL_EXPORT const std::string RDKit::common_properties::OxidationNumber

extern

## reactantAtomIdx

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

extern

## reactionMapNum

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

extern

## ringMembership

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

extern

## smilesSymbol

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

extern

## TWOD

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

extern