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RDKit
Open-source cheminformatics and machine learning.
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const RDKIT_RDGENERAL_EXPORT std::string RDKit::common_properties::_2DConf |
const RDKIT_RDGENERAL_EXPORT std::string RDKit::common_properties::_3DConf |
const RDKIT_RDGENERAL_EXPORT std::string RDKit::common_properties::_AtomID |
const RDKIT_RDGENERAL_EXPORT std::string RDKit::common_properties::_BondsPotentialStereo |
const RDKIT_RDGENERAL_EXPORT std::string RDKit::common_properties::_brokenChirality |
const RDKIT_RDGENERAL_EXPORT std::string RDKit::common_properties::_ChiralityPossible |
Referenced by RDKit::queryAtomMissingChiralTag().
const RDKIT_RDGENERAL_EXPORT std::string RDKit::common_properties::_CIPCode |
const RDKIT_RDGENERAL_EXPORT std::string RDKit::common_properties::_CIPRank |
const RDKIT_RDGENERAL_EXPORT std::string RDKit::common_properties::_connectivityHKDeltas |
const RDKIT_RDGENERAL_EXPORT std::string RDKit::common_properties::_connectivityNVals |
const RDKIT_RDGENERAL_EXPORT std::string RDKit::common_properties::_crippenLogP |
const RDKIT_RDGENERAL_EXPORT std::string RDKit::common_properties::_CrippenLogP |
const RDKIT_RDGENERAL_EXPORT std::string RDKit::common_properties::_crippenLogPContribs |
const RDKIT_RDGENERAL_EXPORT std::string RDKit::common_properties::_crippenMR |
const RDKIT_RDGENERAL_EXPORT std::string RDKit::common_properties::_CrippenMR |
const RDKIT_RDGENERAL_EXPORT std::string RDKit::common_properties::_crippenMRContribs |
const RDKIT_RDGENERAL_EXPORT std::string RDKit::common_properties::_doIsoSmiles |
const RDKIT_RDGENERAL_EXPORT std::string RDKit::common_properties::_fragSMARTS |
const RDKIT_RDGENERAL_EXPORT std::string RDKit::common_properties::_GasteigerCharge |
const RDKIT_RDGENERAL_EXPORT std::string RDKit::common_properties::_GasteigerHCharge |
const RDKIT_RDGENERAL_EXPORT std::string RDKit::common_properties::_hasMassQuery |
const RDKIT_RDGENERAL_EXPORT std::string RDKit::common_properties::_labuteASA |
const RDKIT_RDGENERAL_EXPORT std::string RDKit::common_properties::_labuteAtomContribs |
const RDKIT_RDGENERAL_EXPORT std::string RDKit::common_properties::_labuteAtomHContrib |
const RDKIT_RDGENERAL_EXPORT std::string RDKit::common_properties::_MMFFSanitized |
const RDKIT_RDGENERAL_EXPORT std::string RDKit::common_properties::_MolFileAtomQuery |
const RDKIT_RDGENERAL_EXPORT std::string RDKit::common_properties::_MolFileBondAttach |
const RDKIT_RDGENERAL_EXPORT std::string RDKit::common_properties::_MolFileBondCfg |
const RDKIT_RDGENERAL_EXPORT std::string RDKit::common_properties::_MolFileBondEndPts |
const RDKIT_RDGENERAL_EXPORT std::string RDKit::common_properties::_MolFileBondQuery |
const RDKIT_RDGENERAL_EXPORT std::string RDKit::common_properties::_MolFileBondStereo |
const RDKIT_RDGENERAL_EXPORT std::string RDKit::common_properties::_MolFileBondType |
const RDKIT_RDGENERAL_EXPORT std::string RDKit::common_properties::_MolFileChiralFlag |
const RDKIT_RDGENERAL_EXPORT std::string RDKit::common_properties::_MolFileRLabel |
const RDKIT_RDGENERAL_EXPORT std::string RDKit::common_properties::_Name |
const RDKIT_RDGENERAL_EXPORT std::string RDKit::common_properties::_NeedsQueryScan |
const RDKIT_RDGENERAL_EXPORT std::string RDKit::common_properties::_protected |
const RDKIT_RDGENERAL_EXPORT std::string RDKit::common_properties::_QueryFormalCharge |
const RDKIT_RDGENERAL_EXPORT std::string RDKit::common_properties::_QueryHCount |
const RDKIT_RDGENERAL_EXPORT std::string RDKit::common_properties::_QueryIsotope |
const RDKIT_RDGENERAL_EXPORT std::string RDKit::common_properties::_QueryMass |
const RDKIT_RDGENERAL_EXPORT std::string RDKit::common_properties::_queryRootAtom |
const RDKIT_RDGENERAL_EXPORT std::string RDKit::common_properties::_ReactionDegreeChanged |
const RDKIT_RDGENERAL_EXPORT std::string RDKit::common_properties::_rgroupAtomMaps |
const RDKIT_RDGENERAL_EXPORT std::string RDKit::common_properties::_rgroupBonds |
const RDKIT_RDGENERAL_EXPORT std::string RDKit::common_properties::_RingClosures |
const RDKIT_RDGENERAL_EXPORT std::string RDKit::common_properties::_ringStereoAtoms |
const RDKIT_RDGENERAL_EXPORT std::string RDKit::common_properties::_ringStereochemCand |
const RDKIT_RDGENERAL_EXPORT std::string RDKit::common_properties::_ringStereoWarning |
const RDKIT_RDGENERAL_EXPORT std::string RDKit::common_properties::_SLN_s |
const RDKIT_RDGENERAL_EXPORT std::string RDKit::common_properties::_smilesAtomOutputOrder |
const RDKIT_RDGENERAL_EXPORT std::string RDKit::common_properties::_SmilesStart |
const RDKIT_RDGENERAL_EXPORT std::string RDKit::common_properties::_starred |
const RDKIT_RDGENERAL_EXPORT std::string RDKit::common_properties::_StereochemDone |
const RDKIT_RDGENERAL_EXPORT std::string RDKit::common_properties::_supplementalSmilesLabel |
const RDKIT_RDGENERAL_EXPORT std::string RDKit::common_properties::_tpsa |
const RDKIT_RDGENERAL_EXPORT std::string RDKit::common_properties::_tpsaAtomContribs |
const RDKIT_RDGENERAL_EXPORT std::string RDKit::common_properties::_TraversalBondIndexOrder |
const RDKIT_RDGENERAL_EXPORT std::string RDKit::common_properties::_TraversalRingClosureBond |
const RDKIT_RDGENERAL_EXPORT std::string RDKit::common_properties::_TraversalStartPoint |
const RDKIT_RDGENERAL_EXPORT std::string RDKit::common_properties::_TriposAtomType |
const RDKIT_RDGENERAL_EXPORT std::string RDKit::common_properties::_Unfinished_SLN_ |
const RDKIT_RDGENERAL_EXPORT std::string RDKit::common_properties::_UnknownStereo |
const RDKIT_RDGENERAL_EXPORT std::string RDKit::common_properties::_unspecifiedOrder |
const RDKIT_RDGENERAL_EXPORT std::string RDKit::common_properties::atomLabel |
const RDKIT_RDGENERAL_EXPORT std::string RDKit::common_properties::BalabanJ |
const RDKIT_RDGENERAL_EXPORT std::string RDKit::common_properties::BalanbanJ |
const RDKIT_RDGENERAL_EXPORT std::string RDKit::common_properties::Discrims |
const RDKIT_RDGENERAL_EXPORT std::string RDKit::common_properties::DistanceMatrix_Paths |
const RDKIT_RDGENERAL_EXPORT std::string RDKit::common_properties::dummyLabel |
const RDKIT_RDGENERAL_EXPORT std::string RDKit::common_properties::extraRings |
const RDKIT_RDGENERAL_EXPORT std::string RDKit::common_properties::internalRgroupSmiles |
const RDKIT_RDGENERAL_EXPORT std::string RDKit::common_properties::isImplicit |
const RDKIT_RDGENERAL_EXPORT std::string RDKit::common_properties::maxAttachIdx |
const RDKIT_RDGENERAL_EXPORT std::string RDKit::common_properties::molAtomMapNumber |
Referenced by RDKit::Atom::getAtomMapNum(), and RDKit::Atom::setAtomMapNum().
const RDKIT_RDGENERAL_EXPORT std::string RDKit::common_properties::molFileAlias |
const RDKIT_RDGENERAL_EXPORT std::string RDKit::common_properties::MolFileComments |
const RDKIT_RDGENERAL_EXPORT std::string RDKit::common_properties::MolFileInfo |
const RDKIT_RDGENERAL_EXPORT std::string RDKit::common_properties::molFileValue |
const RDKIT_RDGENERAL_EXPORT std::string RDKit::common_properties::molInversionFlag |
const RDKIT_RDGENERAL_EXPORT std::string RDKit::common_properties::molParity |
const RDKIT_RDGENERAL_EXPORT std::string RDKit::common_properties::molRxnComponent |
const RDKIT_RDGENERAL_EXPORT std::string RDKit::common_properties::molRxnRole |
const RDKIT_RDGENERAL_EXPORT std::string RDKit::common_properties::molTotValence |
const RDKIT_RDGENERAL_EXPORT std::string RDKit::common_properties::MRV_SMA |
const RDKIT_RDGENERAL_EXPORT std::string RDKit::common_properties::NullBond |
const RDKIT_RDGENERAL_EXPORT std::string RDKit::common_properties::numArom |
const RDKIT_RDGENERAL_EXPORT std::string RDKit::common_properties::origNoImplicit |
const RDKIT_RDGENERAL_EXPORT std::string RDKit::common_properties::reactantAtomIdx |
const RDKIT_RDGENERAL_EXPORT std::string RDKit::common_properties::reactionMapNum |
const RDKIT_RDGENERAL_EXPORT std::string RDKit::common_properties::ringMembership |
const RDKIT_RDGENERAL_EXPORT std::string RDKit::common_properties::smilesSymbol |
const RDKIT_RDGENERAL_EXPORT std::string RDKit::common_properties::TWOD |