RDKit
Open-source cheminformatics and machine learning.
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

§ 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