### - g -

- GasteigerParams() : RDKit::GasteigerParams
- gather() : ForceFields::ForceField
- generateNext() : RDKit::FMCS::Composition2N
- get() : RDKit::MolAlign::MolHistogram
- getAbundanceForIsotope() : RDKit::PeriodicTable
- getActiveAtom() : RDKit::RWMol
- getActiveConformer() : RDKit::MolChemicalFeature
- getAgents() : RDKit::ChemicalReaction
- getAllAtomsWithBookmark() : RDKit::ROMol
- getAllBondsWithBookmark() : RDKit::ROMol
- getAltLoc() : RDKit::AtomPDBResidueInfo
- getAtIdx() : RDKit::RecursiveStructureQuery
- getAtomBonds() : RDKit::ROMol
- getAtomBookmarks() : RDKit::ROMol
- getAtomConjGrpIdx() : RDKit::ResonanceMolSupplier
- getAtomCoords() : RDKit::MolDraw2D
- getAtomDegree() : RDKit::ROMol
- getAtomicNum() : RDKit::Atom
- getAtomicNumber() : RDKit::PeriodicTable
- getAtomicWeight() : RDKit::PeriodicTable
- getAtomIdx() : RDKit::AtomSanitizeException
- getAtomIndices() : RDKit::KekulizeException
- getAtomInvariants() : RDKit::AtomInvariantsGenerator , RDKit::AtomPair::AtomPairAtomInvGenerator , RDKit::MorganFingerprint::MorganAtomInvGenerator , RDKit::MorganFingerprint::MorganFeatureAtomInvGenerator , RDKit::RDKitFP::RDKitFPAtomInvGenerator
- getAtomMapNum() : RDKit::Atom
- getAtomNeighbors() : RDKit::ROMol
- getAtomPos() : RDKit::Conformer
- getAtoms() : RDKit::MolChemicalFeature , RDKit::StereoGroup , RDKit::SubstanceGroup
- getAtomWithBookmark() : RDKit::ROMol
- getAtomWithIdx() : RDKit::ROMol
- getAttachPoints() : RDKit::SubstanceGroup
- getAvailableProperties() : RDKit::Descriptors::Properties
- getBeginAtom() : RDKit::Bond
- getBeginAtomIdx() : RDKit::Bond
- getBit() : BitVect , ExplicitBitVect , SparseBitVect
- getBitId() : RDCatalog::CatalogEntry , RDKit::AtomEnvironment< OutputType > , RDKit::AtomPair::AtomPairAtomEnv< OutputType > , RDKit::MorganFingerprint::MorganAtomEnv< OutputType > , RDKit::RDKitFP::RDKitFPAtomEnv< OutputType > , RDKit::TopologicalTorsion::TopologicalTorsionAtomEnv< OutputType >
- getBitSet() : RDKit::FMCS::Composition2N , SparseBitVect
- getBondBetweenAtoms() : RDKit::ROMol
- getBondBookmarks() : RDKit::ROMol
- getBondConjGrpIdx() : RDKit::ResonanceMolSupplier
- getBondDir() : RDKit::Bond
- getBondInvariants() : RDKit::BondInvariantsGenerator , RDKit::MorganFingerprint::MorganBondInvGenerator
- getBonds() : RDKit::SubstanceGroup
- getBondType() : RDKit::Bond , RDKit::SubstanceGroup
- getBondTypeAsDouble() : RDKit::Bond
- getBondWithBookmark() : RDKit::ROMol
- getBondWithIdx() : RDKit::ROMol
- getBoxNx() : RDDepict::EmbeddedFrag
- getBoxNy() : RDDepict::EmbeddedFrag
- getBoxPx() : RDDepict::EmbeddedFrag
- getBoxPy() : RDDepict::EmbeddedFrag
- getBrackets() : RDKit::SubstanceGroup
- getBytes() : RDKit::FPBReader
- getCatalogParams() : RDCatalog::Catalog< entryType, paramType >
- getCatalogs() : RDKit::FilterCatalogParams
- getChainId() : RDKit::AtomPDBResidueInfo
- GetCharges() : MolData3Ddescriptors
- getChiralTag() : RDKit::Atom
- getCol() : RDNumeric::Matrix< TYPE > , RDNumeric::SymmMatrix< TYPE >
- getConformer() : RDKit::ROMol
- getContainingNeighbors() : RDKit::FPBReader , RDKit::MultiFPBReader
- getCorrBitList() : RDInfoTheory::BitCorrMatGenerator
- getCorrMat() : RDInfoTheory::BitCorrMatGenerator
- getCost() : RDKit::MolAlign::LAP
- getCountFingerprint() : RDKit::FingerprintGenerator< OutputType >
- getCStates() : RDKit::SubstanceGroup
- GetCustomAtomProp() : MolData3Ddescriptors
- getCustomPropHandlers() : RDKit::MolPickler
- getData() : RDKit::Dict , RDKit::DiscreteValueVect , RDNumeric::Matrix< TYPE > , RDNumeric::SymmMatrix< TYPE > , RDNumeric::Vector< TYPE >
- getDataSize() : RDNumeric::Matrix< TYPE > , RDNumeric::SymmMatrix< TYPE >
- getDefaultPickleProperties() : RDKit::MolPickler
- getDefaultValence() : RDKit::PeriodicTable
- getDegree() : RDKit::Atom
- getDescription() : Queries::Query< MatchFuncArgType, DataFuncArgType, needsConversion > , RDCatalog::CatalogEntry , RDKit::FilterCatalogEntry , RDKit::FragCatalogEntry , RDKit::MolCatalogEntry
- getDict() : RDKit::RDProps
- getDirs() : RDFeatures::ExplicitFeature< FAMILYMARKER, TYPEMARKER, LOCTYPE > , RDFeatures::ImplicitFeature< FAMILYMARKER, TYPEMARKER, LOCTYPE >
- getDiscrims() : RDKit::FragCatalogEntry
- getDist() : RDKit::DiscreteDistMat
- getDownEntryList() : RDCatalog::HierarchCatalog< entryType, paramType, orderType >
- getDrawCoords() : RDKit::MolDraw2D
- getDrawingText() : RDKit::MolDraw2DCairo , RDKit::MolDraw2DSVG
- getEdges() : RDKit::ROMol
- getElementSymbol() : RDKit::PeriodicTable
- GetEmbeddedAtom() : RDDepict::EmbeddedFrag
- GetEmbeddedAtoms() : RDDepict::EmbeddedFrag
- getEndAtom() : RDKit::Bond
- getEndAtomIdx() : RDKit::Bond
- getEndsOpen() : Queries::RangeQuery< MatchFuncArgType, DataFuncArgType, needsConversion >
- getEnergy() : DistGeom::ChiralViolationContrib , DistGeom::DistViolationContrib , DistGeom::FourthDimContrib , ForceFields::CrystalFF::TorsionAngleContribM6 , ForceFields::ForceFieldContrib , ForceFields::MMFF::AngleBendContrib , ForceFields::MMFF::AngleConstraintContrib , ForceFields::MMFF::BondStretchContrib , ForceFields::MMFF::DistanceConstraintContrib , ForceFields::MMFF::EleContrib , ForceFields::MMFF::OopBendContrib , ForceFields::MMFF::PositionConstraintContrib , ForceFields::MMFF::StretchBendContrib , ForceFields::MMFF::TorsionAngleContrib , ForceFields::MMFF::TorsionConstraintContrib , ForceFields::MMFF::VdWContrib , ForceFields::UFF::AngleBendContrib , ForceFields::UFF::AngleConstraintContrib , ForceFields::UFF::BondStretchContrib , ForceFields::UFF::DistanceConstraintContrib , ForceFields::UFF::InversionContrib , ForceFields::UFF::PositionConstraintContrib , ForceFields::UFF::TorsionAngleContrib , ForceFields::UFF::TorsionConstraintContrib , ForceFields::UFF::vdWContrib , RDKit::Snapshot
- getEntriesOfOrder() : RDCatalog::HierarchCatalog< entryType, paramType, orderType >
- getEntry() : RDKit::FilterCatalog
- getEntryWithBitId() : RDCatalog::HierarchCatalog< entryType, paramType, orderType >
- getEntryWithIdx() : RDCatalog::Catalog< entryType, paramType > , RDCatalog::HierarchCatalog< entryType, paramType, orderType > , RDKit::FilterCatalog
- getEnumerator() : RDKit::EnumerateLibraryBase
- getEnvironments() : RDKit::AtomEnvironmentGenerator< OutputType > , RDKit::AtomPair::AtomPairEnvGenerator< OutputType > , RDKit::MorganFingerprint::MorganEnvGenerator< OutputType > , RDKit::RDKitFP::RDKitFPEnvGenerator< OutputType > , RDKit::TopologicalTorsion::TopologicalTorsionEnvGenerator< OutputType >
- getEOFHitOnRead() : RDKit::ForwardSDMolSupplier
- GetEState() : MolData3Ddescriptors
- GetEState2() : MolData3Ddescriptors
- getExplicitValence() : RDKit::Atom
- getExpression() : Invar::Invariant
- getFactory() : RDKit::MolChemicalFeature
- getFamily() : ChemicalFeatures::ChemicalFeature , ChemicalFeatures::FreeChemicalFeature , RDFeatures::ExplicitFeature< FAMILYMARKER, TYPEMARKER, LOCTYPE > , RDFeatures::ImplicitFeature< FAMILYMARKER, TYPEMARKER, LOCTYPE > , RDKit::MolChemicalFeature , RDKit::MolChemicalFeatureDef
- getFeatDef() : RDKit::MolChemicalFeature
- getFeaturesForMol() : RDKit::MolChemicalFeatureFactory
- getFile() : Invar::Invariant
- getFilterMatches() : RDKit::FilterCatalog , RDKit::FilterCatalogEntry
- getFingerprint() : RDKit::FingerprintGenerator< OutputType > , RDKit::FPHolderBase
- getFingerprints() : RDKit::FPHolderBase , RDKit::SubstructLibrary
- getFirstMatch() : RDKit::FilterCatalog
- getForceV3000() : RDKit::SDWriter
- getFormalCharge() : RDKit::Atom
- getFP() : RDKit::FPBReader
- getFPForMol() : RDKit::FragFPGenerator
- getFpHolder() : RDKit::SubstructLibrary
- getFPIdsInCountRange() : RDKit::FPBReader
- getFPLength() : RDCatalog::Catalog< entryType, paramType >
- getFullDescription() : Queries::EqualityQuery< MatchFuncArgType, DataFuncArgType, needsConversion > , Queries::GreaterEqualQuery< MatchFuncArgType, DataFuncArgType, needsConversion > , Queries::GreaterQuery< MatchFuncArgType, DataFuncArgType, needsConversion > , Queries::LessEqualQuery< MatchFuncArgType, DataFuncArgType, needsConversion > , Queries::LessQuery< MatchFuncArgType, DataFuncArgType, needsConversion > , Queries::Query< MatchFuncArgType, DataFuncArgType, needsConversion > , Queries::RangeQuery< MatchFuncArgType, DataFuncArgType, needsConversion > , Queries::SetQuery< MatchFuncArgType, DataFuncArgType, needsConversion >
- getFuncGroup() : RDKit::FragCatParams , RDKit::MolStandardize::FragmentCatalogParams
- getFuncGroupMap() : RDKit::FragCatalogEntry
- getFuncGroups() : RDKit::FragCatParams , RDKit::MolStandardize::FragmentCatalogParams
- getGrad() : DistGeom::ChiralViolationContrib , DistGeom::DistViolationContrib , DistGeom::FourthDimContrib , ForceFields::CrystalFF::TorsionAngleContribM6 , ForceFields::ForceFieldContrib , ForceFields::MMFF::AngleBendContrib , ForceFields::MMFF::AngleConstraintContrib , ForceFields::MMFF::BondStretchContrib , ForceFields::MMFF::DistanceConstraintContrib , ForceFields::MMFF::EleContrib , ForceFields::MMFF::OopBendContrib , ForceFields::MMFF::PositionConstraintContrib , ForceFields::MMFF::StretchBendContrib , ForceFields::MMFF::TorsionAngleContrib , ForceFields::MMFF::TorsionConstraintContrib , ForceFields::MMFF::VdWContrib , ForceFields::UFF::AngleBendContrib , ForceFields::UFF::AngleConstraintContrib , ForceFields::UFF::BondStretchContrib , ForceFields::UFF::DistanceConstraintContrib , ForceFields::UFF::InversionContrib , ForceFields::UFF::PositionConstraintContrib , ForceFields::UFF::TorsionAngleContrib , ForceFields::UFF::TorsionConstraintContrib , ForceFields::UFF::vdWContrib
- getGridIndex() : RDGeom::UniformGrid3D
- getGridIndices() : RDGeom::UniformGrid3D
- getGridPointIndex() : RDGeom::Grid3D , RDGeom::UniformGrid3D
- getGridPointLoc() : RDGeom::Grid3D , RDGeom::UniformGrid3D
- getGroupType() : RDKit::StereoGroup
- getHybridization() : RDKit::Atom
- getId() : ChemicalFeatures::ChemicalFeature , ChemicalFeatures::FreeChemicalFeature , RDKit::Conformer , RDKit::FPBReader , RDKit::MolChemicalFeature
- getIdOfEntryWithBitId() : RDCatalog::HierarchCatalog< entryType, paramType, orderType >
- getIdx() : RDKit::Atom , RDKit::Bond
- getIdxForEntry() : RDKit::FilterCatalog
- getImplicitPropertiesFlag() : RDKit::ChemicalReaction
- getImplicitValence() : RDKit::Atom
- getIndexInMol() : RDKit::SubstanceGroup
- getInsertionCode() : RDKit::AtomPDBResidueInfo
- getIonPOL() : Data3Ddescriptors
- getIsAromatic() : RDKit::Atom , RDKit::Bond
- getIsConjugated() : RDKit::Bond
- getIsEnumerated() : RDKit::ResonanceMolSupplier
- getIsHeteroAtom() : RDKit::AtomPDBResidueInfo
- getIsotope() : RDKit::Atom
- GetIState() : MolData3Ddescriptors
- GetIStateDrag() : MolData3Ddescriptors
- getItemText() : RDKit::SDMolSupplier , RDKit::SmilesMolSupplier , RDKit::TDTMolSupplier
- getKekulize() : RDKit::SDWriter
- getLastAtom() : RDKit::RWMol
- getLength() : RDKit::DiscreteValueVect , RDKit::SparseIntVect< IndexType >
- getLine() : Invar::Invariant
- getLoc() : RDFeatures::ExplicitFeature< FAMILYMARKER, TYPEMARKER, LOCTYPE > , RDFeatures::ImplicitFeature< FAMILYMARKER, TYPEMARKER, LOCTYPE >
- getLower() : Queries::RangeQuery< MatchFuncArgType, DataFuncArgType, needsConversion >
- getLowerBound() : DistGeom::BoundsMatrix
- getLowerFragLength() : RDKit::FragCatParams
- getLowerVolumeBound() : DistGeom::ChiralSet
- getMass() : RDKit::Atom
- getMassForIsotope() : RDKit::PeriodicTable
- getMatcher() : RDKit::MorganFingerprints::ss_matcher
- getMatches() : RDKit::ExclusionList , RDKit::FilterCatalog , RDKit::FilterHierarchyMatcher , RDKit::FilterMatcherBase , RDKit::FilterMatchOps::And , RDKit::FilterMatchOps::Not , RDKit::FilterMatchOps::Or , RDKit::SmartsMatcher , RDKit::SubstructLibrary
- getMaxCount() : RDKit::SmartsMatcher
- getMaxNumberAtoms() : RDKit::FMCS::MaximumCommonSubgraph
- getMaxNumberBonds() : RDKit::FMCS::MaximumCommonSubgraph
- getMessage() : Invar::Invariant
- getMetalNof() : RDKit::MolStandardize::MetalDisconnector
- getMetalNon() : RDKit::MolStandardize::MetalDisconnector
- getMinCount() : RDKit::SmartsMatcher
- getMMFFAngleBendParams() : RDKit::MMFF::MMFFMolProperties
- getMMFFAngleTerm() : RDKit::MMFF::MMFFMolProperties
- getMMFFAngleType() : RDKit::MMFF::MMFFMolProperties
- getMMFFAtomType() : RDKit::MMFF::MMFFMolProperties
- getMMFFBondStretchEmpiricalRuleParams() : RDKit::MMFF::MMFFMolProperties
- getMMFFBondStretchParams() : RDKit::MMFF::MMFFMolProperties
- getMMFFBondTerm() : RDKit::MMFF::MMFFMolProperties
- getMMFFBondType() : RDKit::MMFF::MMFFMolProperties
- getMMFFChgParams() : ForceFields::MMFF::MMFFChgCollection
- getMMFFDfsbParams() : ForceFields::MMFF::MMFFDfsbCollection
- getMMFFDielectricConstant() : RDKit::MMFF::MMFFMolProperties
- getMMFFDielectricModel() : RDKit::MMFF::MMFFMolProperties
- getMMFFEleTerm() : RDKit::MMFF::MMFFMolProperties
- getMMFFFormalCharge() : RDKit::MMFF::MMFFMolProperties
- getMMFFOopBendParams() : RDKit::MMFF::MMFFMolProperties
- getMMFFOopTerm() : RDKit::MMFF::MMFFMolProperties
- getMMFFOStream() : RDKit::MMFF::MMFFMolProperties
- getMMFFPartialCharge() : RDKit::MMFF::MMFFMolProperties
- getMMFFStbnParams() : ForceFields::MMFF::MMFFStbnCollection
- getMMFFStretchBendParams() : RDKit::MMFF::MMFFMolProperties
- getMMFFStretchBendTerm() : RDKit::MMFF::MMFFMolProperties
- getMMFFTorParams() : ForceFields::MMFF::MMFFTorCollection
- getMMFFTorsionEmpiricalRuleParams() : RDKit::MMFF::MMFFMolProperties
- getMMFFTorsionParams() : RDKit::MMFF::MMFFMolProperties
- getMMFFTorsionTerm() : RDKit::MMFF::MMFFMolProperties
- getMMFFTorsionType() : RDKit::MMFF::MMFFMolProperties
- getMMFFVariant() : RDKit::MMFF::MMFFMolProperties
- getMMFFVdWParams() : RDKit::MMFF::MMFFMolProperties
- getMMFFVdWTerm() : RDKit::MMFF::MMFFMolProperties
- getMMFFVerbosity() : RDKit::MMFF::MMFFMolProperties
- getMol() : RDDepict::EmbeddedFrag , RDKit::CachedMolHolder , RDKit::CachedSmilesMolHolder , RDKit::CachedTrustedSmilesMolHolder , RDKit::MolBundle , RDKit::MolCatalogEntry , RDKit::MolChemicalFeature , RDKit::MolHolder , RDKit::MolHolderBase , RDKit::SubstructLibrary
- getMolecules() : RDKit::SubstructLibrary
- getMolHolder() : RDKit::SubstructLibrary
- getMols() : RDKit::CachedMolHolder , RDKit::CachedSmilesMolHolder , RDKit::CachedTrustedSmilesMolHolder , RDKit::MolBundle , RDKit::MolHolder
- getMonomerInfo() : RDKit::Atom
- getMonomerType() : RDKit::AtomMonomerInfo
- getMostCommonIsotope() : RDKit::PeriodicTable
- getMostCommonIsotopeMass() : RDKit::PeriodicTable
- getMW() : Data3Ddescriptors
- getName() : RDKit::AtomMonomerInfo , RDKit::Descriptors::PropertyFunctor , RDKit::ExclusionList , RDKit::FilterHierarchyMatcher , RDKit::FilterMatcherBase , RDKit::FilterMatchOps::And , RDKit::FilterMatchOps::Not , RDKit::FilterMatchOps::Or
- getNEG() : Data3Ddescriptors
- getNegation() : Queries::Query< MatchFuncArgType, DataFuncArgType, needsConversion >
- getNoImplicit() : RDKit::Atom
- getNonPODStatus() : RDKit::Dict
- getNonzeroElements() : RDKit::SparseIntVect< IndexType >
- getNouterElecs() : RDKit::PeriodicTable
- getNumAgentTemplates() : RDKit::ChemicalReaction
- getNumAtoms() : RDKit::Conformer , RDKit::FMCS::DuplicatedSeedCache::TKey , RDKit::FMCS::Seed , RDKit::MolChemicalFeature , RDKit::ROMol
- getNumBits() : BitVect , ExplicitBitVect , SparseBitVect
- getNumBitsPerVal() : RDKit::DiscreteValueVect
- getNumBonds() : RDKit::FMCS::DuplicatedSeedCache::TKey , RDKit::FMCS::Seed , RDKit::ROMol
- getNumClasses() : RDInfoTheory::InfoBitRanker
- getNumConformers() : RDKit::ROMol
- getNumConjGrps() : RDKit::ResonanceMolSupplier
- getNumDigits() : RDKit::TDTWriter
- getNumEntries() : RDCatalog::Catalog< entryType, paramType > , RDCatalog::HierarchCatalog< entryType, paramType, orderType > , RDKit::FilterCatalog
- getNumExamples() : RDInfoTheory::BitCorrMatGenerator
- getNumExplicitHs() : RDKit::Atom
- getNumFeatureDefs() : RDKit::MolChemicalFeatureFactory
- getNumFuncGroups() : RDKit::FragCatParams , RDKit::MolStandardize::FragmentCatalogParams
- getNumHeavyAtoms() : RDKit::ROMol
- getNumImplicitHs() : RDKit::Atom
- getNumInstances() : RDInfoTheory::InfoBitRanker
- getNumInts() : RDKit::DiscreteValueVect
- getNumOffBits() : BitVect , ExplicitBitVect , SparseBitVect
- getNumOnBits() : BitVect , ExplicitBitVect , SparseBitVect
- getNumPairs() : RDKit::MolStandardize::AcidBaseCatalogParams
- getNumPermutations() : RDKit::EnumerationStrategyBase
- getNumProductTemplates() : RDKit::ChemicalReaction
- getNumRadicalElectrons() : RDKit::Atom
- getNumReactantTemplates() : RDKit::ChemicalReaction
- getNumTautomers() : RDKit::MolStandardize::TautomerCatalogParams
- getNumTransformations() : RDKit::MolStandardize::TransformCatalogParams
- getNumWeights() : RDKit::MolChemicalFeatureDef
- getNumX() : RDGeom::UniformGrid3D
- getNumY() : RDGeom::UniformGrid3D
- getNumZ() : RDGeom::UniformGrid3D
- getOccupancy() : RDKit::AtomPDBResidueInfo
- getOccupancyVect() : RDGeom::Grid3D , RDGeom::UniformGrid3D
- getOffset() : RDGeom::UniformGrid3D
- getOnBits() : BitVect , ExplicitBitVect , SparseBitVect
- GetOptions() : RDKit::StructureCheck::StructChecker
- getOrder() : RDKit::FragCatalogEntry , RDKit::MolCatalogEntry , RDKit::MolStandardize::AcidBaseCatalogEntry , RDKit::MolStandardize::FragmentCatalogEntry , RDKit::MolStandardize::TautomerCatalogEntry , RDKit::MolStandardize::TransformCatalogEntry
- getOtherAtom() : RDKit::Bond
- getOtherAtomIdx() : RDKit::Bond
- getOwningMol() : RDKit::Atom , RDKit::Bond , RDKit::Conformer , RDKit::SubstanceGroup
- getPair() : RDKit::MolStandardize::AcidBaseCatalogParams
- getPairs() : RDKit::MolStandardize::AcidBaseCatalogParams
- getParams() : ForceFields::UFF::ParamCollection , RDKit::Descriptors::CrippenParamCollection , RDKit::GasteigerParams
- getParentAtoms() : RDKit::SubstanceGroup
- getPattern() : RDKit::MolChemicalFeatureDef , RDKit::SmartsMatcher
- getPermutationIdx() : RDKit::CartesianProductStrategy , RDKit::EnumerationStrategyBase , RDKit::EvenSamplePairsStrategy , RDKit::RandomSampleAllBBsStrategy , RDKit::RandomSampleStrategy
- getPerpendicular() : RDGeom::Point3D
- getPerturbationOrder() : RDKit::Atom
- getPoint2D() : RDKit::Snapshot
- getPoint3D() : RDKit::Snapshot
- getPOL() : Data3Ddescriptors
- getPos() : ChemicalFeatures::ChemicalFeature , ChemicalFeatures::FreeChemicalFeature , RDKit::MolChemicalFeature
- getPosition() : RDKit::EnumerateLibraryBase , RDKit::EnumerationStrategyBase
- getPositions() : RDKit::Conformer
- getPrbIdx() : RDKit::MolAlign::O3AConstraint
- GetPrincipalQuantumNumber() : MolData3Ddescriptors
- getProcessPropertyLists() : RDKit::ForwardSDMolSupplier
- getProducts() : RDKit::ChemicalReaction
- getProp() : RDKit::FilterCatalogEntry , RDKit::FragCatalogEntry , RDKit::MolCatalogEntry , RDKit::RDProps
- getProperty() : RDKit::Descriptors::Properties
- getPropertyNames() : RDKit::Descriptors::Properties
- getPropIfPresent() : RDKit::FilterCatalogEntry , RDKit::RDProps
- getPropList() : RDKit::FilterCatalogEntry , RDKit::RDProps
- getPropName() : RDKit::CustomPropHandler , RDKit::DataStructsExplicitBitVecPropHandler
- getProps() : RDKit::FilterCatalogEntry
- getQuery() : RDKit::Atom , RDKit::Bond , RDKit::QueryAtom , RDKit::QueryBond
- getQueryBondRings() : RDKit::FMCS::RingMatchTableSet
- getQueryMol() : RDKit::RecursiveStructureQuery
- getQueryMolecule() : RDKit::FMCS::MaximumCommonSubgraph
- getRb0() : RDKit::PeriodicTable
- getRCOV() : Data3Ddescriptors
- getRcovalent() : RDKit::PeriodicTable
- getReactants() : RDKit::ChemicalReaction
- getReaction() : RDKit::EnumerateLibraryBase
- getReader() : RDKit::MultiFPBReader
- getReagents() : RDKit::EnumerateLibrary
- getRefIdx() : RDKit::MolAlign::O3AConstraint
- GetRelativeENeg() : MolData3Ddescriptors
- GetRelativeIonPol() : MolData3Ddescriptors
- GetRelativeMW() : MolData3Ddescriptors
- GetRelativePol() : MolData3Ddescriptors
- GetRelativeRcov() : MolData3Ddescriptors
- GetRelativeVdW() : MolData3Ddescriptors
- getResidueName() : RDKit::AtomPDBResidueInfo
- getResidueNumber() : RDKit::AtomPDBResidueInfo
- getResultSize() : RDKit::AtomPair::AtomPairArguments< OutputType > , RDKit::FingerprintArguments< OutputType > , RDKit::MorganFingerprint::MorganArguments< OutputType > , RDKit::RDKitFP::RDKitFPArguments< OutputType > , RDKit::TopologicalTorsion::TopologicalTorsionArguments< OutputType >
- getRGroupLabels() : RDKit::RGroupDecomposition
- getRGroupsAsColumns() : RDKit::RGroupDecomposition
- getRGroupsAsRows() : RDKit::RGroupDecomposition
- getRingInfo() : RDKit::ROMol
- getRow() : RDNumeric::Matrix< TYPE > , RDNumeric::SymmMatrix< TYPE >
- getRowSol() : RDKit::MolAlign::LAP
- getRvdw() : RDKit::PeriodicTable
- getSecondaryStructure() : RDKit::AtomPDBResidueInfo
- getSegmentNumber() : RDKit::AtomPDBResidueInfo
- getSerialNumber() : RDKit::AtomPDBResidueInfo , RDKit::RecursiveStructureQuery
- getSize() : RDGeom::Grid3D , RDGeom::UniformGrid3D
- getSmarts() : RDKit::FragCatalogEntry , RDKit::MolChemicalFeatureDef
- getSnapshot() : RDKit::Trajectory
- getSpacing() : RDGeom::UniformGrid3D
- getSparseCountFingerprint() : RDKit::FingerprintGenerator< OutputType >
- getSparseFingerprint() : RDKit::FingerprintGenerator< OutputType >
- getState() : RDKit::EnumerateLibraryBase
- getStereo() : RDKit::Bond
- getStereoAtoms() : RDKit::Bond
- getStereoGroups() : RDKit::ROMol
- getStringSize() : RDKit::MolDraw2D , RDKit::MolDraw2DCairo , RDKit::MolDraw2DQt , RDKit::MolDraw2DSVG , RDKit::MolDraw2Dwx
- getSymbol() : RDKit::Atom
- getTable() : RDKit::PeriodicTable
- getTag() : RDKit::RDValue
- getTanimoto() : RDKit::FPBReader
- getTanimotoNeighbors() : RDKit::FPBReader , RDKit::MultiFPBReader
- getTargetBondRings() : RDKit::FMCS::RingMatchTableSet
- getTempFactor() : RDKit::AtomPDBResidueInfo
- getText() : RDKit::SDWriter
- getTol() : Queries::EqualityQuery< MatchFuncArgType, DataFuncArgType, needsConversion > , Queries::RangeQuery< MatchFuncArgType, DataFuncArgType, needsConversion >
- getTolerance() : RDKit::FragCatParams
- getTopN() : RDInfoTheory::InfoBitRanker
- getTopology() : RDKit::ROMol
- getTotalDegree() : RDKit::Atom
- getTotalNumHs() : RDKit::Atom
- getTotalVal() : RDKit::DiscreteValueVect , RDKit::SparseIntVect< IndexType >
- getTotalValence() : RDKit::Atom
- getTransform() : RDKit::MolStandardize::TautomerCatalogParams
- getTransformation() : RDKit::MolStandardize::TransformCatalogParams
- getTransformations() : RDKit::MolStandardize::TransformCatalogParams
- getTransforms() : RDKit::MolStandardize::TautomerCatalogParams
- getTversky() : RDKit::FPBReader
- getTverskyNeighbors() : RDKit::FPBReader , RDKit::MultiFPBReader
- getType() : ChemicalFeatures::ChemicalFeature , ChemicalFeatures::FreeChemicalFeature , RDFeatures::ExplicitFeature< FAMILYMARKER, TYPEMARKER, LOCTYPE > , RDFeatures::ImplicitFeature< FAMILYMARKER, TYPEMARKER, LOCTYPE > , RDKit::AtomKekulizeException , RDKit::AtomSanitizeException , RDKit::AtomValenceException , RDKit::KekulizeException , RDKit::MolChemicalFeature , RDKit::MolChemicalFeatureDef , RDKit::MolSanitizeException
- getTypeStr() : RDCatalog::CatalogParams
- GetUn() : MolData3Ddescriptors
- getUniqueAtomWithBookmark() : RDKit::ROMol
- getUniqueBondWithBookmark() : RDKit::ROMol
- getUpper() : Queries::RangeQuery< MatchFuncArgType, DataFuncArgType, needsConversion >
- getUpperBound() : DistGeom::BoundsMatrix
- getUpperFragLength() : RDKit::FragCatParams
- getUpperVolumeBound() : DistGeom::ChiralSet
- getVal() : Queries::EqualityQuery< MatchFuncArgType, DataFuncArgType, needsConversion > , RDGeom::Grid3D , RDGeom::UniformGrid3D , RDKit::Dict , RDKit::DiscreteValueVect , RDKit::SparseIntVect< IndexType > , RDNumeric::Matrix< TYPE > , RDNumeric::SymmMatrix< TYPE > , RDNumeric::Vector< TYPE >
- getValenceContrib() : RDKit::Bond
- getValenceList() : RDKit::PeriodicTable
- getValIfPresent() : RDKit::Dict
- getValueType() : RDKit::DiscreteValueVect
- getVDW() : Data3Ddescriptors
- getVersion() : RDKit::Descriptors::PropertyFunctor
- getVertices() : RDKit::ROMol
- getWeight() : RDKit::MolAlign::O3AConstraint
- getWrite2D() : RDKit::TDTWriter
- getWriteNames() : RDKit::TDTWriter
- getXSize() : RDKit::FMCS::TArray2D< T >
- getYSize() : RDKit::FMCS::TArray2D< T >
- greater() : RDKit::Canon::bondholder
- GreaterEqualQuery() : Queries::GreaterEqualQuery< MatchFuncArgType, DataFuncArgType, needsConversion >
- GreaterQuery() : Queries::GreaterQuery< MatchFuncArgType, DataFuncArgType, needsConversion >
- GridException() : RDGeom::GridException
- grow() : RDKit::FMCS::Seed