RDCode: Class Members - Functions

### - g -

- gather() : ForceFields::ForceField
- getActiveAtom() : RDKit::RWMol
- getActiveConformer() : RDKit::MolChemicalFeature
- getAllAtomsWithBookmark() : RDKit::ROMol
- getAllBondsWithBookmark() : RDKit::ROMol
- getAtIdx() : RDKit::RecursiveStructureQuery
- getAtomBonds() : RDKit::ROMol
- getAtomBookmarks() : RDKit::ROMol
- getAtomDegree() : RDKit::ROMol
- getAtomicNum() : RDKit::Atom
- getAtomicNumber() : RDKit::PeriodicTable
- getAtomicWeight() : RDKit::PeriodicTable
- getAtomNeighbors() : RDKit::ROMol
- getAtomPMap() : RDKit::ROMol
- getAtomPos() : RDKit::Conformer
- getAtoms() : RDKit::MolChemicalFeature
- getAtomWithBookmark() : RDKit::ROMol
- getAtomWithIdx() : RDKit::ROMol
- getBeginAtom() : RDKit::Bond
- getBeginAtomIdx() : RDKit::Bond
- GetBit() : SparseBitVect , BitVect , ExplicitBitVect , SparseBitVect
- getBitId() : RDCatalog::CatalogEntry
- GetBitSet() : SparseBitVect
- getBondBetweenAtoms() : RDKit::ROMol
- getBondBookmarks() : RDKit::ROMol
- getBondDir() : RDKit::Bond
- getBondPMap() : RDKit::ROMol
- getBondType() : RDKit::Bond
- getBondTypeAsDouble() : RDKit::Bond
- getBondWithBookmark() : RDKit::ROMol
- getBondWithIdx() : RDKit::ROMol
- getBoxNx() : RDDepict::EmbeddedFrag
- getBoxNy() : RDDepict::EmbeddedFrag
- getBoxPx() : RDDepict::EmbeddedFrag
- getBoxPy() : RDDepict::EmbeddedFrag
- getCatalogParams() : RDCatalog::Catalog< entryType, paramType >
- getChiralTag() : RDKit::Atom
- getCol() : RDNumeric::Matrix< TYPE > , RDNumeric::SymmMatrix< TYPE >
- getConformer() : RDKit::ROMol
- getCorrBitList() : RDInfoTheory::BitCorrMatGenerator
- getCorrMat() : RDInfoTheory::BitCorrMatGenerator
- getData() : RDNumeric::Vector< TYPE > , RDKit::DiscreteValueVect , RDNumeric::Matrix< TYPE > , RDNumeric::SymmMatrix< TYPE >
- getDataFunc() : Queries::Query< MatchFuncArgType, DataFuncArgType, needsConversion >
- getDataSize() : RDNumeric::Matrix< TYPE > , RDNumeric::SymmMatrix< TYPE >
- getDativeFlag() : RDKit::Atom
- getDefaultValence() : RDKit::PeriodicTable
- getDegree() : RDKit::Atom
- getDescription() : RDKit::FragCatalogEntry , RDKit::MolCatalogEntry , RDCatalog::CatalogEntry , Queries::Query< MatchFuncArgType, DataFuncArgType, needsConversion >
- getDirs() : RDFeatures::ExplicitFeature< FAMILYMARKER, TYPEMARKER, LOCTYPE > , RDFeatures::ImplicitFeature< FAMILYMARKER, TYPEMARKER, LOCTYPE >
- getDiscrims() : RDKit::FragCatalogEntry
- getDist() : RDKit::DiscreteDistMat
- getDownEntryList() : RDCatalog::HierarchCatalog< entryType, paramType, orderType >
- 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::ForceFieldContrib , ForceFields::UFF::AngleBendContrib , ForceFields::UFF::BondStretchContrib , ForceFields::UFF::DistanceConstraintContrib , ForceFields::UFF::vdWContrib , ForceFields::UFF::TorsionAngleContrib
- getEntriesOfOrder() : RDCatalog::HierarchCatalog< entryType, paramType, orderType >
- getEntryWithBitId() : RDCatalog::HierarchCatalog< entryType, paramType, orderType >
- getEntryWithIdx() : RDCatalog::Catalog< entryType, paramType > , RDCatalog::HierarchCatalog< entryType, paramType, orderType > , RDCatalog::LinearCatalog< entryType, orderType >
- getExplicitValence() : RDKit::Atom
- getExpression() : Invar::Invariant
- getFactory() : RDKit::MolChemicalFeature
- getFamily() : RDKit::MolChemicalFeature , RDKit::MolChemicalFeatureDef , RDFeatures::ExplicitFeature< FAMILYMARKER, TYPEMARKER, LOCTYPE > , RDFeatures::ImplicitFeature< FAMILYMARKER, TYPEMARKER, LOCTYPE > , ChemicalFeatures::ChemicalFeature , ChemicalFeatures::FreeChemicalFeature
- getFeatDef() : RDKit::MolChemicalFeature
- getFeaturesForMol() : RDKit::MolChemicalFeatureFactory
- getFile() : Invar::Invariant
- getFormalCharge() : RDKit::Atom
- getFPForMol() : RDKit::FragFPGenerator
- getFPLength() : RDCatalog::Catalog< entryType, paramType >
- getFuncGroup() : RDKit::FragCatParams
- getFuncGroupMap() : RDKit::FragCatalogEntry
- getFuncGroups() : RDKit::FragCatParams
- getGrad() : DistGeom::FourthDimContrib , ForceFields::ForceFieldContrib , ForceFields::UFF::AngleBendContrib , ForceFields::UFF::BondStretchContrib , ForceFields::UFF::DistanceConstraintContrib , ForceFields::UFF::vdWContrib , ForceFields::UFF::TorsionAngleContrib , DistGeom::ChiralViolationContrib , DistGeom::DistViolationContrib
- getGridIndex() : RDGeom::UniformGrid3D
- getGridPointIndex() : RDGeom::Grid3D , RDGeom::UniformGrid3D
- getGridPointLoc() : RDGeom::Grid3D , RDGeom::UniformGrid3D
- getHybridization() : RDKit::Atom
- getId() : RDKit::Conformer
- getIdOfEntryWithBitId() : RDCatalog::HierarchCatalog< entryType, paramType, orderType >
- getIdx() : RDKit::Atom , RDKit::Bond
- getImplicitPropertiesFlag() : RDKit::ChemicalReaction
- getImplicitValence() : RDKit::Atom
- getIsAromatic() : RDKit::Atom , RDKit::Bond
- getIsConjugated() : RDKit::Bond
- getItemText() : RDKit::SDMolSupplier , RDKit::SmilesMolSupplier , RDKit::TDTMolSupplier
- 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
- getMatchFunc() : Queries::Query< MatchFuncArgType, DataFuncArgType, needsConversion >
- getMessage() : Invar::Invariant
- getMol() : RDKit::MolCatalogEntry , RDDepict::EmbeddedFrag , RDKit::MolChemicalFeature
- getNegation() : Queries::Query< MatchFuncArgType, DataFuncArgType, needsConversion >
- getNoImplicit() : RDKit::Atom
- getNonzeroElements() : RDKit::SparseIntVect< IndexType >
- getNouterElecs() : RDKit::PeriodicTable
- getNumAtoms() : RDKit::Conformer , RDKit::MolChemicalFeature , RDKit::ROMol
- GetNumBits() : BitVect , ExplicitBitVect , SparseBitVect
- getNumBitsPerVal() : RDKit::DiscreteValueVect
- getNumBonds() : RDKit::ROMol
- getNumClasses() : RDInfoTheory::InfoBitRanker
- getNumConformers() : RDKit::ROMol
- getNumDigits() : RDKit::TDTWriter
- getNumEntries() : RDCatalog::HierarchCatalog< entryType, paramType, orderType > , RDCatalog::Catalog< entryType, paramType >
- getNumExamples() : RDInfoTheory::BitCorrMatGenerator
- getNumExplicitHs() : RDKit::Atom
- getNumFeatureDefs() : RDKit::MolChemicalFeatureFactory
- getNumFuncGroups() : RDKit::FragCatParams
- getNumImplicitHs() : RDKit::Atom
- getNumInstances() : RDInfoTheory::InfoBitRanker
- getNumInts() : RDKit::DiscreteValueVect
- GetNumOffBits() : BitVect , ExplicitBitVect , SparseBitVect
- GetNumOnBits() : ExplicitBitVect , BitVect , SparseBitVect
- getNumProductTemplates() : RDKit::ChemicalReaction
- getNumRadicalElectrons() : RDKit::Atom
- getNumReactantTemplates() : RDKit::ChemicalReaction
- getNumWeights() : RDKit::MolChemicalFeatureDef
- getNumX() : RDGeom::UniformGrid3D
- getNumY() : RDGeom::UniformGrid3D
- getNumZ() : RDGeom::UniformGrid3D
- getOccupancyVect() : RDGeom::Grid3D , RDGeom::UniformGrid3D
- getOffset() : RDGeom::UniformGrid3D
- GetOnBits() : BitVect , ExplicitBitVect , SparseBitVect
- getOrder() : RDKit::FragCatalogEntry , RDKit::MolCatalogEntry
- getOtherAtom() : RDKit::Bond
- getOtherAtomIdx() : RDKit::Bond
- getOwningMol() : RDKit::Atom , RDKit::Conformer , RDKit::Bond
- getParams() : RDKit::GasteigerParams , RDKit::Descriptors::CrippenParamCollection , ForceFields::UFF::ParamCollection
- getPattern() : RDKit::MolChemicalFeatureDef
- getPerpendicular() : RDGeom::Point3D
- getPerturbationOrder() : RDKit::Atom
- getPos() : ChemicalFeatures::FreeChemicalFeature , ChemicalFeatures::ChemicalFeature , RDKit::MolChemicalFeature
- getPositions() : RDKit::Conformer
- getProp() : RDKit::Bond , RDKit::FragCatalogEntry , RDKit::Atom , RDKit::ROMol , RDKit::FragCatalogEntry , RDKit::ROMol , RDKit::Atom , RDKit::Bond , RDKit::MolCatalogEntry
- getPropList() : RDKit::Bond , RDKit::ROMol , RDKit::Atom
- getQuery() : RDKit::QueryAtom , RDKit::Atom , RDKit::Bond , RDKit::QueryBond
- getQueryMol() : RDKit::RecursiveStructureQuery
- getRb0() : RDKit::PeriodicTable
- getRcovalent() : RDKit::PeriodicTable
- getRingInfo() : RDKit::ROMol
- getRow() : RDNumeric::SymmMatrix< TYPE > , RDNumeric::Matrix< TYPE >
- getRvdw() : RDKit::PeriodicTable
- getSize() : RDGeom::Grid3D , RDGeom::UniformGrid3D
- getSmarts() : RDKit::FragCatalogEntry , RDKit::MolChemicalFeatureDef
- getSpacing() : RDGeom::UniformGrid3D
- getStereo() : RDKit::Bond
- getStereoAtoms() : RDKit::Bond
- getSymbol() : RDKit::Atom
- getTable() : RDKit::PeriodicTable
- 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::SparseIntVect< IndexType > , RDKit::DiscreteValueVect
- getType() : ChemicalFeatures::FreeChemicalFeature , RDFeatures::ImplicitFeature< FAMILYMARKER, TYPEMARKER, LOCTYPE > , ChemicalFeatures::ChemicalFeature , RDKit::MolChemicalFeature , RDKit::MolChemicalFeatureDef , RDFeatures::ExplicitFeature< FAMILYMARKER, TYPEMARKER, LOCTYPE >
- getTypeStr() : RDCatalog::CatalogParams
- getUpper() : Queries::RangeQuery< MatchFuncArgType, DataFuncArgType, needsConversion >
- getUpperBound() : DistGeom::BoundsMatrix
- getUpperFragLength() : RDKit::FragCatParams
- getUpperVolumeBound() : DistGeom::ChiralSet
- getVal() : RDKit::SparseIntVect< IndexType > , RDNumeric::Vector< TYPE > , RDKit::Dict , RDGeom::Grid3D , RDNumeric::Matrix< TYPE > , RDGeom::UniformGrid3D , RDKit::Dict , RDGeom::UniformGrid3D , RDKit::Dict , RDGeom::Grid3D , Queries::EqualityQuery< MatchFuncArgType, DataFuncArgType, needsConversion > , RDNumeric::SymmMatrix< TYPE > , RDKit::DiscreteValueVect
- getValenceContrib() : RDKit::Bond
- getValenceList() : RDKit::PeriodicTable
- getValueType() : RDKit::DiscreteValueVect
- getVertices() : RDKit::ROMol
- getWrite2D() : RDKit::TDTWriter
- getWriteNames() : RDKit::TDTWriter
- GreaterEqualQuery() : Queries::GreaterEqualQuery< MatchFuncArgType, DataFuncArgType, needsConversion >
- GreaterQuery() : Queries::GreaterQuery< MatchFuncArgType, DataFuncArgType, needsConversion >
- GridException() : RDGeom::GridException