- s -

• 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 >