RDCode: Class Members - Functions

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- scaleForceConstant() : ForceFields::UFF::TorsionAngleContrib
- scatter() : ForceFields::ForceField
- SDMolSupplier() : RDKit::SDMolSupplier
- SDWriter() : RDKit::SDWriter
- Serialize() : RDKit::FragCatalogEntry , RDCatalog::CatalogParams , RDKit::FragCatParams , RDKit::MolCatalogEntry , RDKit::MolCatalogParams , RDCatalog::Catalog< entryType, paramType > , RDCatalog::HierarchCatalog< entryType, paramType, orderType > , RDCatalog::LinearCatalog< entryType, orderType > , RDCatalog::CatalogEntry
- set3D() : RDKit::Conformer
- setActiveAtom() : RDKit::RWMol
- setActiveConformer() : RDKit::MolChemicalFeature
- setAtomBookmark() : RDKit::ROMol
- setAtomicNum() : RDKit::Atom
- setAtomPos() : RDKit::Conformer
- setBeginAtom() : RDKit::Bond
- setBeginAtomIdx() : RDKit::Bond
- setBiasList() : RDInfoTheory::InfoBitRanker
- SetBit() : SparseBitVect , BitVect , ExplicitBitVect , SparseBitVect
- setBitId() : RDCatalog::CatalogEntry
- setBitIdList() : RDInfoTheory::BitCorrMatGenerator
- setBondBookmark() : RDKit::ROMol
- setBondDir() : RDKit::Bond , RDKit::QueryBond
- setBondType() : RDKit::Bond , RDKit::QueryBond
- setCatalogParams() : RDCatalog::Catalog< entryType, paramType >
- setChiralTag() : RDKit::Atom
- setData() : RDKit::SDMolSupplier , RDKit::SmilesMolSupplier , RDKit::TDTMolSupplier
- setDataFunc() : Queries::Query< MatchFuncArgType, DataFuncArgType, needsConversion >
- setDativeFlag() : RDKit::Atom
- setDescription() : RDKit::FragCatalogEntry , RDKit::MolCatalogEntry , Queries::Query< MatchFuncArgType, DataFuncArgType, needsConversion >
- setEndAtom() : RDKit::Bond
- setEndAtomIdx() : RDKit::Bond
- setEndsOpen() : Queries::RangeQuery< MatchFuncArgType, DataFuncArgType, needsConversion >
- setFamily() : RDFeatures::ExplicitFeature< FAMILYMARKER, TYPEMARKER, LOCTYPE > , RDFeatures::ImplicitFeature< FAMILYMARKER, TYPEMARKER, LOCTYPE > , ChemicalFeatures::FreeChemicalFeature
- setFormalCharge() : RDKit::Atom
- setFPLength() : RDCatalog::Catalog< entryType, paramType >
- setHybridization() : RDKit::Atom
- setId() : RDKit::Conformer
- setIdx() : RDKit::Atom , RDKit::Bond
- setImplicitPropertiesFlag() : RDKit::ChemicalReaction
- setIsAromatic() : RDKit::Atom , RDKit::Bond
- setIsConjugated() : RDKit::Bond
- setLoc() : RDFeatures::ExplicitFeature< FAMILYMARKER, TYPEMARKER, LOCTYPE >
- setLower() : Queries::RangeQuery< MatchFuncArgType, DataFuncArgType, needsConversion >
- setLowerBound() : DistGeom::BoundsMatrix
- setLowerBoundIfBetter() : DistGeom::BoundsMatrix
- setLowerFragLength() : RDKit::FragCatParams
- setMaskBits() : RDInfoTheory::InfoBitRanker
- setMass() : RDKit::Atom
- setMatchFunc() : Queries::Query< MatchFuncArgType, DataFuncArgType, needsConversion >
- setMetricFunc() : RDDataManip::MetricMatrixCalc< vectType, entryType >
- setMol() : RDKit::MolCatalogEntry
- setNegation() : Queries::Query< MatchFuncArgType, DataFuncArgType, needsConversion >
- setNoImplicit() : RDKit::Atom
- setNumDigits() : RDKit::TDTWriter
- setNumExplicitHs() : RDKit::Atom
- setNumRadicalElectrons() : RDKit::Atom
- setOrder() : RDKit::MolCatalogEntry
- setOwningMol() : RDKit::Atom , RDKit::Bond , RDKit::Conformer
- setPos() : ChemicalFeatures::FreeChemicalFeature
- setProp() : RDKit::ROMol , RDKit::FragCatalogEntry , RDKit::Atom , RDKit::Bond , RDKit::FragCatalogEntry , RDKit::MolCatalogEntry , RDKit::ROMol
- setProps() : RDKit::TDTWriter , RDKit::MolWriter , RDKit::SmilesWriter , RDKit::SDWriter
- SetQuery() : Queries::SetQuery< MatchFuncArgType, DataFuncArgType, needsConversion >
- setQuery() : RDKit::Atom , RDKit::Bond , RDKit::QueryAtom , RDKit::QueryBond
- setQueryMol() : RDKit::RecursiveStructureQuery
- SetRotation() : RDGeom::Transform3D
- SetRotationFromQuaternion() : RDGeom::Transform3D
- setSphereOccupancy() : RDGeom::UniformGrid3D
- setStereo() : RDKit::Bond
- setStreamIndices() : RDKit::SDMolSupplier
- setToIdentity() : RDGeom::Transform3D , RDNumeric::SymmMatrix< TYPE > , RDGeom::Transform2D
- setTol() : Queries::EqualityQuery< MatchFuncArgType, DataFuncArgType, needsConversion > , Queries::RangeQuery< MatchFuncArgType, DataFuncArgType, needsConversion >
- setTolerance() : RDKit::FragCatParams
- setToRandom() : RDNumeric::Vector< TYPE >
- SetTransform() : RDGeom::Transform2D
- SetTranslation() : RDGeom::Transform2D , RDGeom::Transform3D
- setType() : ChemicalFeatures::FreeChemicalFeature , RDFeatures::ExplicitFeature< FAMILYMARKER, TYPEMARKER, LOCTYPE > , RDFeatures::ImplicitFeature< FAMILYMARKER, TYPEMARKER, LOCTYPE >
- setTypeStr() : RDCatalog::CatalogParams
- setupNewNeighs() : RDDepict::EmbeddedFrag
- setUpper() : Queries::RangeQuery< MatchFuncArgType, DataFuncArgType, needsConversion >
- setUpperBound() : DistGeom::BoundsMatrix
- setUpperBoundIfBetter() : DistGeom::BoundsMatrix
- setUpperFragLength() : RDKit::FragCatParams
- setVal() : RDKit::Dict , RDKit::DiscreteValueVect , RDKit::Dict , RDNumeric::SymmMatrix< TYPE > , RDGeom::Grid3D , RDGeom::UniformGrid3D , RDNumeric::Matrix< TYPE > , RDGeom::UniformGrid3D , RDKit::Dict , RDGeom::Grid3D , RDNumeric::Vector< TYPE > , Queries::EqualityQuery< MatchFuncArgType, DataFuncArgType, needsConversion > , RDKit::SparseIntVect< IndexType >
- setWeights() : RDKit::MolChemicalFeatureDef
- setWrite2D() : RDKit::TDTWriter
- setWriteNames() : RDKit::TDTWriter
- signedAngleTo() : RDGeom::Point3D , RDGeom::Point2D
- size() : RDNumeric::Vector< TYPE > , Queries::SetQuery< MatchFuncArgType, DataFuncArgType, needsConversion >
- Size() : RDDepict::EmbeddedFrag
- size() : PySequenceHolder< T >
- SLNParseException() : RDKit::SLNParseException
- SmilesMolSupplier() : RDKit::SmilesMolSupplier
- SmilesParseException() : RDKit::SmilesParseException
- SmilesWriter() : RDKit::SmilesWriter
- SparseBitVect() : SparseBitVect
- SparseIntVect() : RDKit::SparseIntVect< IndexType >
- SquareMatrix() : RDNumeric::SquareMatrix< TYPE >
- Symbol() : RDKit::atomicData
- SymmMatrix() : RDNumeric::SymmMatrix< TYPE >