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	_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	_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	_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	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	molRxnComponent
RDKIT_RDGENERAL_EXPORT const std::string	molRxnRole
RDKIT_RDGENERAL_EXPORT const std::string	molTotValence
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	MRV_SMA
RDKIT_RDGENERAL_EXPORT const std::string	dummyLabel
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	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

Variable Documentation

_2DConf

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

_3DConf

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

_AtomID

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

_BondsPotentialStereo

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

_brokenChirality

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

_ChiralityPossible

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

Referenced by RDKit::queryAtomMissingChiralTag().

_CIPCode

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

_CIPRank

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

_connectivityHKDeltas

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

_connectivityNVals

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

_crippenLogP

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

_CrippenLogP

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

_crippenLogPContribs

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

_crippenMR

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

_CrippenMR

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

_crippenMRContribs

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

_doIsoSmiles

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

_fragSMARTS

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

_GasteigerCharge

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

_GasteigerHCharge

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

_hasMassQuery

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

_labuteASA

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

_labuteAtomContribs

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

_labuteAtomHContrib

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

_MMFFSanitized

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

_MolFileAtomQuery

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

_MolFileBondAttach

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

_MolFileBondEndPts

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

_MolFileBondQuery

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

_MolFileChiralFlag

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

_MolFileRLabel

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

_Name

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

_NeedsQueryScan

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

_protected

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

_QueryFormalCharge

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

_QueryHCount

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

_QueryIsotope

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

_QueryMass

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

_queryRootAtom

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

_ReactionDegreeChanged

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

_rgroupAtomMaps

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

_rgroupBonds

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

_RingClosures

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

_ringStereoAtoms

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

_ringStereochemCand

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

_ringStereoWarning

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

_SLN_s

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

_smilesAtomOutputOrder

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

_SmilesStart

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

_starred

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

_StereochemDone

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

_supplementalSmilesLabel

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

_tpsa

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

_tpsaAtomContribs

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

_TraversalBondIndexOrder

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

_TraversalRingClosureBond

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

_TraversalStartPoint

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

_TriposAtomType

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

_Unfinished_SLN_

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

_UnknownStereo

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

_unspecifiedOrder

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

atomLabel

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

BalabanJ

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

BalanbanJ

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

Discrims

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

DistanceMatrix_Paths

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

dummyLabel

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

extraRings

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

internalRgroupSmiles

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

isImplicit

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

maxAttachIdx

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

molAtomMapNumber

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

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

molFileAlias

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

MolFileComments

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

MolFileInfo

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

molFileValue

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

molInversionFlag

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

molParity

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

molRxnComponent

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

molRxnRole

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

molTotValence

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

MRV_SMA

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

NullBond

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

numArom

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

origNoImplicit

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

reactantAtomIdx

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

reactionMapNum

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

ringMembership

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

smilesSymbol

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

TWOD

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