RDKit::common_properties Namespace Reference

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

Variable Documentation

_2DConf

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

_3DConf

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

_AtomID

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

_BondsPotentialStereo

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

_brokenChirality

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

_ChiralityPossible

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

_CIPCode

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

_CIPRank

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

_connectivityHKDeltas

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

_connectivityNVals

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

_CrippenLogP

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

_crippenLogP

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

_crippenLogPContribs

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

_CrippenMR

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

_crippenMR

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

_crippenMRContribs

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

_doIsoSmiles

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

_fragSMARTS

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

_hasMassQuery

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

_labuteASA

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

_labuteAtomContribs

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

_labuteAtomHContrib

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

_MMFFSanitized

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

_MolFileChiralFlag

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

_MolFileRLabel

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

_Name

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

_NeedsQueryScan

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

_protected

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

_QueryFormalCharge

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

_QueryHCount

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

_QueryIsotope

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

_QueryMass

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

_queryRootAtom

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

_ReactionDegreeChanged

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

_rgroupAtomMaps

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

_rgroupBonds

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

_RingClosures

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

_ringStereoAtoms

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

_ringStereochemCand

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

_ringStereoWarning

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

_SLN_s

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

_smilesAtomOutputOrder

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

_SmilesStart

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

_starred

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

_StereochemDone

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

_supplementalSmilesLabel

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

_tpsa

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

_tpsaAtomContribs

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

_TraversalBondIndexOrder

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

_TraversalRingClosureBond

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

_TriposAtomType

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

_Unfinished_SLN_

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

_UnknownStereo

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

_unspecifiedOrder

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

BalabanJ

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

BalanbanJ

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

Discrims

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

DistanceMatrix_Paths

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

dummyLabel

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

extraRings

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

isImplicit

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

maxAttachIdx

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

molAtomMapNumber

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

Referenced by RDKit::Drawing::detail::getAtomSymbolAndOrientation().

molFileAlias

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

MolFileComments

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

MolFileInfo

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

molFileValue

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

molInversionFlag

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

molParity

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

molRxnComponent

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

molRxnRole

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

molTotValence

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

NullBond

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

numArom

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

origNoImplicit

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

ringMembership

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

smilesSymbol

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

TWOD

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