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	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	_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	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

_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

_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

_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

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