RDKit
Open-source cheminformatics and machine learning.
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

◆ _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

◆ 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