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	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	_CIPComputed
RDKIT_RDGENERAL_EXPORT const std::string	_CanonicalRankingNumber
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	_ringStereoOtherAtom
RDKIT_RDGENERAL_EXPORT const std::string	_mesoOtherAtom
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	molRingBondCount
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	molAttachOrderTemplate
RDKIT_RDGENERAL_EXPORT const std::string	molAtomClass
RDKIT_RDGENERAL_EXPORT const std::string	natReplace
RDKIT_RDGENERAL_EXPORT const std::string	templateNames
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	_fromAttachPoint
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	_NonExplicit3DChirality
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	_rgroupTargetAtoms
RDKIT_RDGENERAL_EXPORT const std::string	_rgroupTargetBonds
RDKIT_RDGENERAL_EXPORT const std::string	reactantAtomIdx
RDKIT_RDGENERAL_EXPORT const std::string	reactionMapNum
RDKIT_RDGENERAL_EXPORT const std::string	reactantIdx
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

◆ _CanonicalRankingNumber

RDKIT_RDGENERAL_EXPORT const std::string RDKit::common_properties::_CanonicalRankingNumber

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

◆ _CIPComputed

RDKIT_RDGENERAL_EXPORT const std::string RDKit::common_properties::_CIPComputed

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

◆ _fromAttachPoint

RDKIT_RDGENERAL_EXPORT const std::string RDKit::common_properties::_fromAttachPoint

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

◆ _mesoOtherAtom

RDKIT_RDGENERAL_EXPORT const std::string RDKit::common_properties::_mesoOtherAtom

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

◆ _NonExplicit3DChirality

RDKIT_RDGENERAL_EXPORT const std::string RDKit::common_properties::_NonExplicit3DChirality

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

◆ _rgroupTargetAtoms

RDKIT_RDGENERAL_EXPORT const std::string RDKit::common_properties::_rgroupTargetAtoms

extern

Referenced by RDKit::RGroupMatch::getTargetMoleculeForHighlights().

◆ _rgroupTargetBonds

RDKIT_RDGENERAL_EXPORT const std::string RDKit::common_properties::_rgroupTargetBonds

extern

Referenced by RDKit::RGroupMatch::getTargetMoleculeForHighlights().

◆ _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

◆ _ringStereoOtherAtom

RDKIT_RDGENERAL_EXPORT const std::string RDKit::common_properties::_ringStereoOtherAtom

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

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

◆ molAtomSeqId

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

extern

◆ molAttachOrder

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

extern

◆ molAttachOrderTemplate

RDKIT_RDGENERAL_EXPORT const std::string RDKit::common_properties::molAttachOrderTemplate

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

Referenced by RDKit::preprocessReaction(), RDKit::preprocessReaction(), RDKit::preprocessReaction(), and RDKit::preprocessReaction().

◆ 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

◆ molRingBondCount

RDKIT_RDGENERAL_EXPORT const std::string RDKit::common_properties::molRingBondCount

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

◆ natReplace

RDKIT_RDGENERAL_EXPORT const std::string RDKit::common_properties::natReplace

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

◆ OxidationNumber

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

extern

◆ reactantAtomIdx

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

extern

◆ reactantIdx

RDKIT_RDGENERAL_EXPORT const std::string RDKit::common_properties::reactantIdx

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

◆ templateNames

RDKIT_RDGENERAL_EXPORT const std::string RDKit::common_properties::templateNames

extern

◆ TWOD

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

extern

Variables

Variable Documentation

◆ _2DConf

◆ _3DConf

◆ _AtomID

◆ _BondsPotentialStereo

◆ _brokenChirality

◆ _CanonicalRankingNumber

◆ _ChiralAtomRank

◆ _ChiralityPossible

◆ _chiralPermutation

◆ _CIPCode

◆ _CIPComputed

◆ _CIPRank

◆ _connectivityHKDeltas

◆ _connectivityNVals

◆ _CrippenLogP

◆ _crippenLogP

◆ _crippenLogPContribs

◆ _CrippenMR

◆ _crippenMR

◆ _crippenMRContribs

◆ _displayLabel

◆ _displayLabelW

◆ _doIsoSmiles

◆ _fragSMARTS

◆ _fromAttachPoint

◆ _GasteigerCharge

◆ _GasteigerHCharge

◆ _hasMassQuery

◆ _isotopicHs

◆ _labuteASA

◆ _labuteAtomContribs

◆ _labuteAtomHContrib

◆ _mesoOtherAtom

◆ _MMFFSanitized

◆ _MolFileAtomQuery

◆ _MolFileBondAttach

◆ _MolFileBondCfg

◆ _MolFileBondEndPts

◆ _MolFileBondQuery

◆ _MolFileBondStereo

◆ _MolFileBondType

◆ _MolFileChiralFlag

◆ _MolFileRLabel

◆ _Name

◆ _NeedsQueryScan

◆ _NonExplicit3DChirality

◆ _protected

◆ _QueryAtomGenericLabel

◆ _QueryFormalCharge

◆ _QueryHCount

◆ _QueryIsotope

◆ _QueryMass

◆ _queryRootAtom

◆ _ReactionDegreeChanged

◆ _rgroupAtomMaps

◆ _rgroupBonds

◆ _rgroupTargetAtoms

◆ _rgroupTargetBonds

◆ _RingClosures

◆ _ringStereoAtoms

◆ _ringStereochemCand

◆ _ringStereoOtherAtom

◆ _ringStereoWarning

◆ _SLN_s

◆ _smilesAtomOutputOrder

◆ _smilesBondOutputOrder

◆ _SmilesStart

◆ _starred

◆ _StereochemDone

◆ _supplementalSmilesLabel

◆ _tpsa

◆ _tpsaAtomContribs

◆ _TraversalBondIndexOrder

◆ _TraversalRingClosureBond

◆ _TraversalStartPoint

◆ _TriposAtomType

◆ _Unfinished_SLN_

◆ _UnknownStereo