RDKit: Class Members - Functions

| RDKit Open-source cheminformatics and machine learning.

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Here is a list of all functions with links to the classes they belong to:

### - s -

- ScaffoldNetwork() : RDKit::ScaffoldNetwork::ScaffoldNetwork
- ScaffoldNetworkParams() : RDKit::ScaffoldNetwork::ScaffoldNetworkParams
- scale() : RDKit::MolDraw2D, RDKit::MolDraw2D_detail::AtomSymbol, RDKit::MolDraw2D_detail::DrawAnnotation, RDKit::MolDraw2D_detail::DrawShape, RDKit::MolDraw2D_detail::DrawShapeArrow, RDKit::MolDraw2D_detail::DrawShapeDashedWedge, RDKit::MolDraw2D_detail::DrawShapeWavyLine
- scaleForceConstant() : ForceFields::UFF::TorsionAngleContrib
- scatter() : ForceFields::ForceField
- score() : RDKit::MolAlign::O3A, RDKit::RGroupDecompData, RDKit::RGroupDecompositionChromosome
- scoreAlignment() : RDKit::MolAlign::SDM
- scoreFromPrunedData() : RDKit::RGroupDecompData
- SDM() : RDKit::MolAlign::SDM
- SDMolSupplier() : RDKit::v1::SDMolSupplier, RDKit::v2::FileParsers::SDMolSupplier
- SDWriter() : RDKit::SDWriter
- search() : RDKit::SynthonSpaceSearch::SynthonSpaceSearcher
- searchFragSet() : RDKit::SynthonSpaceSearch::SynthonSpaceFingerprintSearcher, RDKit::SynthonSpaceSearch::SynthonSpaceRascalSearcher, RDKit::SynthonSpaceSearch::SynthonSpaceSearcher, RDKit::SynthonSpaceSearch::SynthonSpaceSubstructureSearcher
- SearchResults() : RDKit::SynthonSpaceSearch::SearchResults
- Seed() : RDKit::FMCS::Seed
- seekoff() : boost_adaptbx::python::streambuf
- seekpos() : boost_adaptbx::python::streambuf
- selectScaleFactor() : RDKit::MolDraw2D_detail::DrawText
- SequenceRule() : RDKit::CIPLabeler::SequenceRule
- Serialize() : RDCatalog::Catalog< entryType, paramType >, RDCatalog::CatalogEntry, RDCatalog::CatalogParams, RDCatalog::HierarchCatalog< entryType, paramType, orderType >, RDKit::EnumerateLibraryBase, RDKit::FilterCatalog, RDKit::FilterCatalogEntry, RDKit::FilterCatalogParams, RDKit::FragCatalogEntry, RDKit::FragCatParams, RDKit::MolCatalogEntry, RDKit::MolCatalogParams, RDKit::MolStandardize::AcidBaseCatalogEntry, RDKit::MolStandardize::AcidBaseCatalogParams, RDKit::MolStandardize::FragmentCatalogEntry, RDKit::MolStandardize::FragmentCatalogParams, RDKit::MolStandardize::TautomerCatalogEntry, RDKit::MolStandardize::TautomerCatalogParams, RDKit::MolStandardize::TransformCatalogEntry, RDKit::MolStandardize::TransformCatalogParams, RDKit::SubstructLibrary
- serialize() : RDKit::MolBundle, RDKit::TautomerQuery
- set() : RDKit::FMCS::TArray2D< T >
- set3D() : RDKit::Conformer
- setAcidicAugmentedAtoms() : RDKit::StructureCheck::StructCheckerOptions
- setActiveAtmIdx() : RDKit::MolDraw2D
- setActiveAtom() : RDKit::RWMol
- setActiveBndIdx() : RDKit::MolDraw2D
- setActiveClass() : RDKit::MolDraw2D
- setActiveConformer() : RDKit::MolChemicalFeature
- setActiveMolIdx() : RDKit::MolDraw2D
- setAltLoc() : RDKit::AtomPDBResidueInfo
- setAtomBookmark() : RDKit::ROMol
- setAtomicNum() : RDKit::Atom
- setAtomMapNum() : RDKit::Atom
- setAtomPos() : RDKit::Conformer
- setAtoms() : RDKit::SubstanceGroup
- setAugmentedAtomTranslations() : RDKit::StructureCheck::StructCheckerOptions
- setAux() : RDKit::CIPLabeler::Edge, RDKit::CIPLabeler::Node
- setBaseFontSize() : RDKit::MolDraw2D_detail::DrawText
- setBeginAtom() : RDKit::Bond
- setBeginAtomIdx() : RDKit::Bond
- setBestPermutation() : RDKit::RGroupScorer
- setBiasList() : RDInfoTheory::InfoBitRanker
- setBit() : BitVect, ExplicitBitVect, SparseBitVect
- setBitId() : RDCatalog::CatalogEntry
- setBitIdList() : RDInfoTheory::BitCorrMatGenerator
- setBondBookmark() : RDKit::ROMol
- setBondDir() : RDKit::Bond, RDKit::QueryBond
- setBonds() : RDKit::SubstanceGroup
- setBondType() : RDKit::Bond, RDKit::QueryBond
- setCairoContext() : RDKit::MolDraw2D_detail::DrawTextCairo, RDKit::MolDraw2D_detail::DrawTextFTCairo
- setCallback() : RDKit::MolStandardize::TautomerEnumerator
- setCarriers() : RDKit::CIPLabeler::Configuration
- setCatalogParams() : RDCatalog::Catalog< entryType, paramType >, RDKit::FilterCatalog
- setChainId() : RDKit::AtomPDBResidueInfo
- setChiralTag() : RDKit::Atom
- setColour() : RDKit::MolDraw2D, RDKit::MolDraw2D_detail::DrawText, RDKit::MolDraw2DCairo, RDKit::MolDraw2DQt, RDKit::MolDraw2DSVG, RDKit::MolDraw2Dwx
- setDash() : RDKit::MolDraw2D
- setData() : RDKit::v1::SDMolSupplier, RDKit::v1::SmilesMolSupplier, RDKit::v1::TDTMolSupplier, RDKit::v2::FileParsers::SDMolSupplier, RDKit::v2::FileParsers::SmilesMolSupplier, RDKit::v2::FileParsers::TDTMolSupplier
- setDataFunc() : Queries::Query< MatchFuncArgType, DataFuncArgType, needsConversion >
- setDefaultPickleProperties() : RDKit::MolPickler
- setDescription() : Queries::Query< MatchFuncArgType, DataFuncArgType, needsConversion >, RDKit::FilterCatalogEntry, RDKit::FragCatalogEntry, RDKit::MolCatalogEntry
- setEndAtom() : RDKit::Bond
- setEndAtomIdx() : RDKit::Bond
- setEndsOpen() : Queries::RangeQuery< MatchFuncArgType, DataFuncArgType, needsConversion >
- setEnergy() : RDKit::Snapshot
- setExclusionPatterns() : RDKit::ExclusionList
- setFamily() : ChemicalFeatures::FreeChemicalFeature, RDFeatures::ExplicitFeature< FAMILYMARKER, TYPEMARKER, LOCTYPE >, RDFeatures::ImplicitFeature< FAMILYMARKER, TYPEMARKER, LOCTYPE >
- setFillPolys() : RDKit::MolDraw2D
- setFlags() : RDKit::Atom, RDKit::Bond
- setFlexiMode() : RDKit::MolDraw2D
- setFontFile() : RDKit::MolDraw2D_detail::DrawText, RDKit::MolDraw2D_detail::DrawTextFT
- setFontScale() : RDKit::MolDraw2D_detail::DrawText
- setFontSize() : RDKit::MolDraw2D, RDKit::MolDraw2D_detail::DrawText, RDKit::MolDraw2Dwx
- setForceV3000() : RDKit::SDWriter
- setFormalCharge() : RDKit::Atom
- setFP() : RDKit::SynthonSpaceSearch::Synthon
- setFPLength() : RDCatalog::Catalog< entryType, paramType >
- setGoodAugmentedAtoms() : RDKit::StructureCheck::StructCheckerOptions
- setHybridization() : RDKit::Atom
- setId() : ChemicalFeatures::FreeChemicalFeature, RDKit::Conformer
- setIdx() : RDKit::Atom, RDKit::Bond
- setImplicitPropertiesFlag() : RDKit::ChemicalReaction
- setInsertionCode() : RDKit::AtomPDBResidueInfo
- setIsAromatic() : RDKit::Atom, RDKit::Bond
- setIsConjugated() : RDKit::Bond
- setIsHeteroAtom() : RDKit::AtomPDBResidueInfo
- setIsotope() : RDKit::Atom
- setIsUsed() : RDKit::UsedLabelMap
- setIsValid() : RDKit::SubstanceGroup
- setKekulize() : RDKit::SDWriter
- setLength() : RDKit::RealValueVect
- setLineWidth() : RDKit::MolDraw2D
- setLoc() : RDFeatures::ExplicitFeature< FAMILYMARKER, TYPEMARKER, LOCTYPE >
- setLower() : Queries::RangeQuery< MatchFuncArgType, DataFuncArgType, needsConversion >
- setLowerBound() : DistGeom::BoundsMatrix
- setLowerBoundIfBetter() : DistGeom::BoundsMatrix
- setLowerFragLength() : RDKit::FragCatParams
- setMakeParent() : RDKit::MolStandardize::Pipeline
- setMaskBits() : RDInfoTheory::InfoBitRanker
- setMatchFunc() : Queries::Query< MatchFuncArgType, DataFuncArgType, needsConversion >
- setMaxCount() : RDKit::SmartsMatcher
- setMaxFontSize() : RDKit::MolDraw2D_detail::DrawText
- setMaxTautomers() : RDKit::MolStandardize::TautomerEnumerator
- setMaxTransforms() : RDKit::MolStandardize::TautomerEnumerator
- setMCSAtomTyperFromConstChar() : RDKit::MCSParameters
- setMCSAtomTyperFromEnum() : RDKit::MCSParameters
- setMCSBondTyperFromConstChar() : RDKit::MCSParameters
- setMCSBondTyperFromEnum() : RDKit::MCSParameters
- setMetalNof() : RDKit::MolStandardize::MetalDisconnector
- setMetalNon() : RDKit::MolStandardize::MetalDisconnector
- setMetricFunc() : RDDataManip::MetricMatrixCalc< vectType, entryType >
- setMinCount() : RDKit::SmartsMatcher
- setMinFontSize() : RDKit::MolDraw2D_detail::DrawText
- setMMFFAngleTerm() : RDKit::MMFF::MMFFMolProperties
- setMMFFBondTerm() : RDKit::MMFF::MMFFMolProperties
- setMMFFDielectricConstant() : RDKit::MMFF::MMFFMolProperties
- setMMFFDielectricModel() : RDKit::MMFF::MMFFMolProperties
- setMMFFEleTerm() : RDKit::MMFF::MMFFMolProperties
- setMMFFOopTerm() : RDKit::MMFF::MMFFMolProperties
- setMMFFOStream() : RDKit::MMFF::MMFFMolProperties
- setMMFFStretchBendTerm() : RDKit::MMFF::MMFFMolProperties
- setMMFFTorsionTerm() : RDKit::MMFF::MMFFMolProperties
- setMMFFVariant() : RDKit::MMFF::MMFFMolProperties
- setMMFFVdWTerm() : RDKit::MMFF::MMFFMolProperties
- setMMFFVerbosity() : RDKit::MMFF::MMFFMolProperties
- setMol() : RDKit::MolCatalogEntry
- setMoleculeFragment() : RDKit::FMCS::Seed
- setMonomerInfo() : RDKit::Atom
- setMonomerType() : RDKit::AtomMonomerInfo
- setName() : RDKit::AtomMonomerInfo
- setNegation() : Queries::Query< MatchFuncArgType, DataFuncArgType, needsConversion >
- setNoImplicit() : RDKit::Atom
- setNumDigits() : RDKit::TDTWriter
- setNumExplicitHs() : RDKit::Atom
- setNumRadicalElectrons() : RDKit::Atom
- setNumThreads() : RDKit::ResonanceMolSupplier
- setOccupancy() : RDKit::AtomPDBResidueInfo
- setOffset() : RDKit::MolDraw2D
- setOffsets() : RDKit::MolDraw2D_detail::DrawMol
- setOperationName() : RDKit::RGroupDecompositionChromosome
- SetOptions() : RDKit::StructureCheck::StructChecker
- setOrder() : RDKit::MolCatalogEntry
- setOwningMol() : RDKit::Atom, RDKit::Bond, RDKit::Conformer, RDKit::SubstanceGroup
- setParentAtoms() : RDKit::SubstanceGroup
- setParse() : RDKit::MolStandardize::Pipeline
- setPattern() : RDKit::FilterHierarchyMatcher, RDKit::SmartsMatcher
- setPatterns() : RDKit::StructureCheck::StructCheckerOptions
- setPODVal() : RDKit::Dict
- setPos() : ChemicalFeatures::FreeChemicalFeature
- setPrecision() : RDKit::MarvinMolBase
- setPrimaryLabel() : RDKit::CIPLabeler::AtropisomerBond, RDKit::CIPLabeler::Configuration, RDKit::CIPLabeler::Sp2Bond, RDKit::CIPLabeler::Tetrahedral
- setProcessPropertyLists() : RDKit::v1::ForwardSDMolSupplier, RDKit::v2::FileParsers::ForwardSDMolSupplier
- setProgressCallback() : RDKit::ResonanceMolSupplier
- setProp() : RDKit::FilterCatalogEntry, RDKit::FragCatalogEntry, RDKit::MolCatalogEntry, RDKit::RDProps
- setProps() : RDKit::FilterCatalogEntry, RDKit::MolWriter, RDKit::PDBWriter, RDKit::SDWriter, RDKit::SmilesWriter, RDKit::TDTWriter
- SetQuery() : Queries::SetQuery< MatchFuncArgType, DataFuncArgType, needsConversion >
- setQuery() : RDKit::Atom, RDKit::Bond, RDKit::QueryAtom, RDKit::QueryBond
- setQueryMol() : RDKit::RecursiveStructureQuery
- setReassignStereo() : RDKit::MolStandardize::TautomerEnumerator
- setRemoveBondStereo() : RDKit::MolStandardize::TautomerEnumerator
- setRemoveIsotopicHs() : RDKit::MolStandardize::TautomerEnumerator
- setRemoveSp3Stereo() : RDKit::MolStandardize::TautomerEnumerator
- setResidueName() : RDKit::AtomPDBResidueInfo
- setResidueNumber() : RDKit::AtomPDBResidueInfo
- setRingSystemTemplates() : RDDepict::CoordinateTemplates
- setRlabel() : RDKit::RGroupDecompData
- setRotatePatterns() : RDKit::StructureCheck::StructCheckerOptions
- SetRotation() : RDGeom::Transform3D
- SetRotationFromQuaternion() : RDGeom::Transform3D
- setRule6Ref() : RDKit::CIPLabeler::Digraph
- setScale() : RDKit::MolDraw2D, RDKit::MolDraw2D_detail::DrawMol
- setSearchMol() : RDKit::SynthonSpaceSearch::Synthon
- setSearchOrder() : RDKit::SubstructLibrary
- setSecondaryStructure() : RDKit::AtomPDBResidueInfo
- setSegmentNumber() : RDKit::AtomPDBResidueInfo
- setSerialize() : RDKit::MolStandardize::Pipeline
- setSerialNumber() : RDKit::AtomPDBResidueInfo
- setSorter() : RDKit::CIPLabeler::SequenceRule
- setSphereOccupancy() : RDGeom::UniformGrid3D
- setStandardizationSteps() : RDKit::MolStandardize::Pipeline
- setState() : RDKit::EnumerateLibraryBase
- setStereo() : RDKit::Bond
- setStereoAtoms() : RDKit::Bond
- setStereoGroups() : RDKit::ROMol
- setStereoPatterns() : RDKit::StructureCheck::StructCheckerOptions
- setStoreAllDegenerateMCS() : RDKit::FMCS::Seed
- setStreamIndices() : RDKit::v1::SDMolSupplier, RDKit::v2::FileParsers::SDMolSupplier
- setTargetMoleculeForHighlights() : RDKit::RGroupMatch
- setTautomerData() : RDKit::StructureCheck::StructCheckerOptions
- SetTee() : boost::logging::rdLogger
- setTempFactor() : RDKit::AtomPDBResidueInfo
- setToIdentity() : RDGeom::Transform2D, RDGeom::Transform3D, RDNumeric::SymmMatrix< TYPE >
- setTol() : Queries::EqualityQuery< MatchFuncArgType, DataFuncArgType, needsConversion >, Queries::RangeQuery< MatchFuncArgType, DataFuncArgType, needsConversion >
- setTolerance() : RDKit::FragCatParams
- setToRandom() : RDNumeric::Vector< TYPE >
- setToVal() : RDKit::RealValueVect
- SetTransform() : RDGeom::Transform2D
- setTransformation() : RDKit::MolDraw2D_detail::DrawMol
- SetTranslation() : RDGeom::Transform2D, RDGeom::Transform3D
- setType() : ChemicalFeatures::FreeChemicalFeature, RDFeatures::ExplicitFeature< FAMILYMARKER, TYPEMARKER, LOCTYPE >, RDFeatures::ImplicitFeature< FAMILYMARKER, TYPEMARKER, LOCTYPE >
- setTypeLabel() : Queries::Query< MatchFuncArgType, DataFuncArgType, needsConversion >
- setTypeStr() : RDCatalog::CatalogParams
- setupNewNeighs() : RDDepict::EmbeddedFrag
- setUpper() : Queries::RangeQuery< MatchFuncArgType, DataFuncArgType, needsConversion >
- setUpperBound() : DistGeom::BoundsMatrix
- setUpperBoundIfBetter() : DistGeom::BoundsMatrix
- setUpperFragLength() : RDKit::FragCatParams
- setVal() : Queries::EqualityQuery< MatchFuncArgType, DataFuncArgType, needsConversion >, RDGeom::Grid3D< VectorType, ValueType1, ValueType2 >, RDGeom::UniformGrid3D, RDGeom::UniformRealValueGrid3D, RDKit::Dict, RDKit::DiscreteValueVect, RDKit::RealValueVect, RDKit::SparseIntVect< IndexType >, RDNumeric::Matrix< TYPE >, RDNumeric::SymmMatrix< TYPE >, RDNumeric::Vector< TYPE >
- setValidationSteps() : RDKit::MolStandardize::Pipeline
- setValUnchecked() : RDNumeric::Matrix< TYPE >
- setWeights() : RDKit::MolChemicalFeatureDef
- setWrite2D() : RDKit::TDTWriter
- setWriteId() : RDKit::StereoGroup
- setWriteNames() : RDKit::TDTWriter
- showmanyc() : boost_adaptbx::python::streambuf
- shrinkToFit() : RDKit::MolDraw2D_detail::DrawMol
- signalHandler() : RDKit::ControlCHandler
- signedAngleTo() : Point2D, RDGeom::Point2D, RDGeom::Point3D
- Size() : RDDepict::EmbeddedFrag
- size() : better_enums::_iterable< Element >, BitVect, DistGeom::ChiralViolationContribs, DistGeom::DistViolationContribs, DistGeom::FourthDimContribs, ForceFields::AngleConstraintContribs, ForceFields::CrystalFF::TorsionAngleContribs, ForceFields::DistanceConstraintContribs, ForceFields::UFF::InversionContribs, PySequenceHolder< T >, Queries::SetQuery< MatchFuncArgType, DataFuncArgType, needsConversion >, RDKit::CachedMolHolder, RDKit::CachedSmilesMolHolder, RDKit::CachedTrustedSmilesMolHolder, RDKit::DiscreteValueVect, RDKit::FMCS::DuplicatedSeedCache, RDKit::FMCS::SeedSet, RDKit::FPHolderBase, RDKit::KeyFromPropHolder, RDKit::KeyHolderBase, RDKit::MolAlign::O3AConstraintVect, RDKit::MolAlign::SDM, RDKit::MolBundle, RDKit::MolHolder, RDKit::MolHolderBase, RDKit::MolOps::Hybridizations, RDKit::MolStandardize::TautomerEnumeratorResult, RDKit::RealValueVect, RDKit::SparseIntVect< IndexType >, RDKit::SubstructLibrary, RDKit::Trajectory, RDNumeric::Vector< TYPE >
- skip() : RDKit::EnumerationStrategyBase
- SLNParseException() : RDKit::SLNParseException
- smallestValId() : RDNumeric::Vector< TYPE >
- SmartsMatcher() : RDKit::SmartsMatcher
- smiles() : RDKit::MolStandardize::TautomerEnumeratorResult
- SmilesMolSupplier() : RDKit::v1::SmilesMolSupplier, RDKit::v2::FileParsers::SmilesMolSupplier
- SmilesParseException() : RDKit::SmilesParse::SmilesParseException, RDKit::v1::SmilesParseException, RDKit::v2::SmilesParse::SmilesParseException
- smilesTautomerMap() : RDKit::MolStandardize::TautomerEnumeratorResult
- SmilesWriter() : RDKit::SmilesWriter
- smoothBondJoins() : RDKit::MolDraw2D_detail::DrawMol
- Snapshot() : RDKit::Snapshot
- Sort() : RDKit::CIPLabeler::Sort
- sort() : RDKit::CIPLabeler::SequenceRule
- Sp2Bond() : RDKit::CIPLabeler::Sp2Bond
- SparseBitVect() : SparseBitVect
- SparseIntVect() : RDKit::SparseIntVect< IndexType >
- SpecialChiralityAtomCompareFunctor() : RDKit::Canon::SpecialChiralityAtomCompareFunctor
- SpecialSymmetryAtomCompareFunctor() : RDKit::Canon::SpecialSymmetryAtomCompareFunctor
- squaredMedianBondLength() : RDKit::MolStandardize::Layout2DValidation
- SquareMatrix() : RDNumeric::SquareMatrix< TYPE >
- ss_matcher() : RDKit::MorganFingerprints::ss_matcher
- startProcessing() : RDKit::RGroupScorer
- stats() : RDKit::EvenSamplePairsStrategy
- status() : RDKit::MolStandardize::TautomerEnumeratorResult
- step() : RDKit::SynthonSpaceSearch::details::Stepper
- Stepper() : RDKit::SynthonSpaceSearch::details::Stepper
- StereoGroup() : RDKit::StereoGroup
- StereoGroupFlipper() : RDKit::EnumerateStereoisomers::details::StereoGroupFlipper
- StereoisomerEnumerator() : RDKit::EnumerateStereoisomers::StereoisomerEnumerator
- streambuf() : boost_adaptbx::python::streambuf
- streambuf_capsule() : boost_adaptbx::python::streambuf_capsule
- StretchBendContrib() : ForceFields::MMFF::StretchBendContrib
- string() : RDKit::MMFF::Tools::DefaultTorsionBondSmarts, RDKit::UFF::Tools::DefaultTorsionBondSmarts
- StringRect() : RDKit::MolDraw2D_detail::StringRect
- StringToStructureFlags() : RDKit::StructureCheck::StructChecker
- StructChecker() : RDKit::StructureCheck::StructChecker
- StructCheckerOptions() : RDKit::StructureCheck::StructCheckerOptions
- StructCheckTautomer() : RDKit::StructureCheck::StructCheckTautomer
- StructureFlagsToString() : RDKit::StructureCheck::StructChecker
- SubstanceGroup() : RDKit::SubstanceGroup
- SubstanceGroupException() : RDKit::SubstanceGroupException
- SubstructLibrary() : RDKit::SubstructLibrary
- SubstructMatchParameters() : RDKit::SubstructMatchParameters
- substructOf() : RDKit::TautomerQuery
- SubstructTerm() : RDKit::MolStandardize::TautomerScoringFunctions::SubstructTerm
- substructureSearch() : RDKit::SynthonSpaceSearch::SynthonSpace
- summarise() : RDKit::SynthonSpaceSearch::SynthonSpace
- supportsAnnotations() : RDKit::MolDraw2D
- Symbol() : RDKit::atomicData
- SymmMatrix() : RDNumeric::SymmMatrix< TYPE >
- sync() : boost_adaptbx::python::streambuf
- Synthon() : RDKit::SynthonSpaceSearch::Synthon
- SynthonSet() : RDKit::SynthonSpaceSearch::SynthonSet
- SynthonSpace() : RDKit::SynthonSpaceSearch::SynthonSpace
- SynthonSpaceFingerprintSearcher() : RDKit::SynthonSpaceSearch::SynthonSpaceFingerprintSearcher
- SynthonSpaceFPHitSet() : RDKit::SynthonSpaceSearch::SynthonSpaceFPHitSet
- SynthonSpaceHitSet() : RDKit::SynthonSpaceSearch::SynthonSpaceHitSet
- SynthonSpaceRascalSearcher() : RDKit::SynthonSpaceSearch::SynthonSpaceRascalSearcher
- SynthonSpaceSearcher() : RDKit::SynthonSpaceSearch::SynthonSpaceSearcher
- SynthonSpaceSubstructureSearcher() : RDKit::SynthonSpaceSearch::SynthonSpaceSubstructureSearcher