RDKit: Class Members

| RDKit Open-source cheminformatics and machine learning.

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

### - r -

- r : RDKit::DrawColour
- r0 : ForceFields::MMFF::MMFFBond, ForceFields::MMFF::MMFFCovRadPauEle, ForceFields::UFF::UFFBond
- r1 : ForceFields::UFF::AtomicParams
- R_ij_star : ForceFields::MMFF::MMFFVdWRijstarEps
- R_ij_starUnscaled : ForceFields::MMFF::MMFFVdWRijstarEps
- R_star : ForceFields::MMFF::MMFFVdW
- Radical : RDKit::StructureCheck::AugmentedAtom, RDKit::StructureCheck::Ligand
- radical : RDKit::MarvinAtom
- radicals_ : RDKit::MolDraw2D_detail::DrawMol
- radii_ : RDKit::Descriptors::DoubleCubicLatticeVolume
- radius : RDKit::MolDraw2D_detail::LinePair
- randNegEig : RDKit::DGeomHelpers::EmbedParameters
- randomSample : RDKit::SynthonSpaceSearch::SynthonSpaceSearchParams
- RandomSampleAllBBsStrategy() : RDKit::RandomSampleAllBBsStrategy
- randomSampleFlipsAndPermutations() : RDDepict::EmbeddedFrag
- RandomSampleStrategy() : RDKit::RandomSampleStrategy
- randomSeed : RDKit::DGeomHelpers::EmbedParameters, RDKit::EnumerateStereoisomers::StereoEnumerationOptions, RDKit::MolEnumerator::MolEnumeratorParams, RDKit::SynthonSpaceSearch::SynthonSpaceSearchParams
- range() : RDKit::MolDraw2D
- RangeQuery() : Queries::RangeQuery< MatchFuncArgType, DataFuncArgType, needsConversion >
- RascalResult() : RDKit::RascalMCES::RascalResult
- rascalSearch() : RDKit::SynthonSpaceSearch::SynthonSpace
- Rb0() : RDKit::atomicData
- RCore() : RDKit::RCore
- Rcov() : RDKit::atomicData
- RDAny() : RDKit::RDAny
- rdbase : RDKit::MolStandardize::CleanupParameters
- RDKitFPArguments() : RDKit::RDKitFP::RDKitFPArguments
- RDKitFPAtomEnv() : RDKit::RDKitFP::RDKitFPAtomEnv< OutputType >
- RDKitValidation() : RDKit::MolStandardize::RDKitValidation
- rdLogger() : boost::logging::rdLogger
- RDProps() : RDKit::RDProps
- RDValue() : RDKit::RDValue
- reactants : RDKit::MarvinReaction
- reaction_smarts : RDKit::Deprotect::DeprotectData
- ReactionFingerprintParams() : RDKit::ReactionFingerprintParams
- reactionFromPickle() : RDKit::ReactionPickler
- ReactionPickler : RDKit::ChemicalReaction
- ReactionPicklerException() : RDKit::ReactionPicklerException
- read() : RDKit::CustomPropHandler, RDKit::DataStructsExplicitBitVecPropHandler
- readDBFile() : RDKit::SynthonSpaceSearch::SynthonSpace
- readFromDBStream() : RDKit::SynthonSpaceSearch::Synthon, RDKit::SynthonSpaceSearch::SynthonSet
- readMolProps() : RDKit::v2::FileParsers::ForwardSDMolSupplier
- readStream() : RDKit::SynthonSpaceSearch::SynthonSpace
- readTextFile() : RDKit::SynthonSpaceSearch::SynthonSpace
- reagentMaxMatchCount : RDKit::EnumerationParams
- RealValueVect() : RDKit::RealValueVect
- recalculateRects() : RDKit::MolDraw2D_detail::AtomSymbol
- recalculateScore() : RDKit::RGroupDecompositionChromosome
- RECHARGED : RDKit::StructureCheck::StructChecker
- rechargeMolecule() : RDKit::StructureCheck::ChargeFix
- rect_corr_ : RDKit::MolDraw2D_detail::StringRect
- rects_ : RDKit::MolDraw2D_detail::AtomSymbol, RDKit::MolDraw2D_detail::DrawAnnotation
- recursionPossible : RDKit::SubstructMatchParameters
- recursiveCompare() : RDKit::CIPLabeler::SequenceRule
- RecursiveStructureQuery() : RDKit::RecursiveStructureQuery
- ref() : RDKit::CIPLabeler::PairList
- refConf : RDKit::MolAlign::O3AFuncData
- reference : RDKit::CXXAtomIterator< Graph, Vertex, Iterator >::CXXAtomIter, RDKit::CXXBondIterator< Graph, Edge, Iterator >::CXXBondIter, RDKit::MolStandardize::TautomerEnumeratorResult::const_iterator
- Reflect() : RDDepict::EmbeddedAtom, RDDepict::EmbeddedFrag, RDGeom::Transform3D
- refProp : RDKit::MolAlign::O3AFuncData
- registerProperty() : RDKit::Descriptors::Properties
- registry : RDKit::Descriptors::Properties
- reionize() : RDKit::MolStandardize::Reionizer
- reionizeInPlace() : RDKit::MolStandardize::Reionizer
- Reionizer() : RDKit::MolStandardize::Reionizer
- relabel() : RDKit::RGroupDecompData
- relabelCore() : RDKit::RGroupDecompData
- relabelRGroup() : RDKit::RGroupDecompData
- RemainingAtoms : RDKit::FMCS::Seed
- RemainingBonds : RDKit::FMCS::Seed
- RemainingSizeRejected : RDKit::FMCS::ExecStatistics
- remove() : RDKit::MolStandardize::FragmentRemover
- removeAgentTemplates() : RDKit::ChemicalReaction
- removeAllHydrogenRGroups : RDKit::RGroupDecompositionParameters
- removeAllHydrogenRGroupsAndLabels : RDKit::RGroupDecompositionParameters
- removeAndTrackIsotopes : RDKit::MolOps::RemoveHsParameters
- removeAtom() : RDKit::RWMol
- removeAtomFromGroups : RDKit::StereoGroup
- removeAtomWithIdx() : RDKit::SubstanceGroup
- removeBond() : RDKit::RWMol
- removeBondFromGroups : RDKit::StereoGroup
- removeBondWithIdx() : RDKit::SubstanceGroup
- removeCollisionsBondFlip() : RDDepict::EmbeddedFrag
- removeCollisionsOpenAngles() : RDDepict::EmbeddedFrag
- removeCollisionsShortenBonds() : RDDepict::EmbeddedFrag
- removeConformer() : RDKit::ROMol
- removeCoords() : RDKit::MarvinMolBase
- removeDefiningBondStereo : RDKit::MolOps::RemoveHsParameters
- removeDegreeZero : RDKit::MolOps::RemoveHsParameters
- removeDummyNeighbors : RDKit::MolOps::RemoveHsParameters
- removeDuplicatesAndHs() : RDKit::CIPLabeler::Configuration
- removeEmptySynthonSets() : RDKit::SynthonSpaceSearch::SynthonSet
- removeEntry() : RDKit::FilterCatalog
- removeHapticDummies : RDKit::MolStandardize::MetalDisconnectorOptions
- removeHigherDegrees : RDKit::MolOps::RemoveHsParameters
- removeHs : RDKit::GeneralMolSupplier::SupplierOptions, RDKit::v1::PDBParserParams, RDKit::v1::SmilesParserParams, RDKit::v2::CDXMLParser::CDXMLParserParams, RDKit::v2::FileParsers::Mol2ParserParams, RDKit::v2::FileParsers::MolFileParserParams, RDKit::v2::FileParsers::PDBParserParams, RDKit::v2::MarvinParser::MrvParserParams, RDKit::v2::SmilesParse::SmilesParserParams
- removeHydrides : RDKit::MolOps::RemoveHsParameters
- removeHydrogensPostMatch : RDKit::RGroupDecompositionParameters
- removeInPlace() : RDKit::MolStandardize::FragmentRemover
- removeInSGroups : RDKit::MolOps::RemoveHsParameters
- removeInternalEdges() : RDKit::CIPLabeler::Configuration
- removeIsotopes : RDKit::MolOps::RemoveHsParameters
- removeMapped : RDKit::MolOps::RemoveHsParameters
- RemoveMinorFragments : RDKit::StructureCheck::StructCheckerOptions
- removeNonimplicit : RDKit::MolOps::RemoveHsParameters
- removeNontetrahedralNeighbors : RDKit::MolOps::RemoveHsParameters
- removeOnlyHNeighbors : RDKit::MolOps::RemoveHsParameters
- removeOwnedAtom() : RDKit::MarvinMol, RDKit::MarvinMolBase
- removeOwnedBond() : RDKit::MarvinMol, RDKit::MarvinMolBase
- removeParentAtomWithIdx() : RDKit::SubstanceGroup
- removeRgroupData() : RDKit::VarianceDataForLabel
- removeSnapshot() : RDKit::Trajectory
- removeUnmappedProductTemplates() : RDKit::ChemicalReaction
- removeUnmappedReactantTemplates() : RDKit::ChemicalReaction
- removeVarianceData() : RDKit::FingerprintVarianceScoreData
- removeWithQuery : RDKit::MolOps::RemoveHsParameters
- removeWithWedgedBond : RDKit::MolOps::RemoveHsParameters
- RepeatUnitOp() : RDKit::MolEnumerator::RepeatUnitOp
- replaceAtom() : RDKit::RWMol
- replaceAtomBookmark() : RDKit::ROMol
- replaceBond() : RDKit::RWMol
- replaceCoreAtomsWithMolMatches() : RDKit::RCore
- replaceHydrogenCoreDummy() : RDKit::RGroupDecompData
- replacements : RDKit::v1::SmartsParserParams, RDKit::v1::SmilesParserParams, RDKit::v2::ReactionParser::ReactionSmartsParserParams, RDKit::v2::SmilesParse::SmartsParserParams, RDKit::v2::SmilesParse::SmilesParserParams
- reportAllFailures : RDKit::MolStandardize::PipelineOptions
- reserve() : RDKit::Conformer
- reserved_tag : RDKit::RDValue
- reset() : RDFeatures::ImplicitFeature< FAMILYMARKER, TYPEMARKER, LOCTYPE >, RDKit::ControlCHandler, RDKit::Dict, RDKit::EnumerateLibraryBase, RDKit::ResonanceMolSupplier, RDKit::RingInfo, RDKit::v1::MolSupplier, RDKit::v2::FileParsers::ForwardSDMolSupplier, RDKit::v2::FileParsers::MolSupplier, RDKit::v2::FileParsers::SDMolSupplier, RDKit::v2::FileParsers::SmilesMolSupplier, RDKit::v2::FileParsers::TDTMolSupplier
- resetEverything() : RDKit::MolDraw2D_detail::DrawMol
- resetHolders() : RDKit::SubstructLibrary
- resetPrimaryLabel() : RDKit::CIPLabeler::AtropisomerBond, RDKit::CIPLabeler::Configuration, RDKit::CIPLabeler::Sp2Bond, RDKit::CIPLabeler::Tetrahedral
- resetState() : RDKit::EnumerateLibraryBase
- resize() : RDKit::Conformer, RDKit::FMCS::TArray2D< T >
- resolveAtomSymbolClashes() : RDKit::MolDraw2D_detail::DrawMol
- ResonanceFlags : RDKit::ResonanceMolSupplier
- ResonanceMolSupplier() : RDKit::ResonanceMolSupplier, RDKit::ResonanceMolSupplierCallback
- ResonanceMolSupplierCallback() : RDKit::ResonanceMolSupplierCallback
- restoreBondDirs : RDKit::PNGMetadataParams
- ResultTuple : RDKit::MultiFPBReader
- returnEmptyMCES : RDKit::RascalMCES::RascalOptions
- revistedNeighbors : RDKit::Canon::canon_atom
- RGroupData() : RDKit::RGroupData
- RGroupDecompData() : RDKit::RGroupDecompData
- RGroupDecomposition() : RDKit::RGroupDecomposition
- RGroupDecompositionChromosome() : RDKit::RGroupDecompositionChromosome
- RGroupDecompositionParameters() : RDKit::RGroupDecompositionParameters
- RGroupDecompositionProcessResult() : RDKit::RGroupDecompositionProcessResult
- RGroupGa() : RDKit::RGroupGa
- rgroupLabelling : RDKit::RGroupDecompositionParameters
- RGroupMatch() : RDKit::RGroupMatch
- rgroupRef : RDKit::MarvinAtom
- rgroups : RDKit::RGroupMatch
- RGroupScorer() : RDKit::RGroupScorer
- rGroupScorer : RDKit::GaResult, RDKit::RGroupDecompData
- RigorousEnhancedStereoException() : RDKit::RigorousEnhancedStereoException
- RING : RDDepict::EmbeddedAtom
- RING_DUPLICATE : RDKit::CIPLabeler::Node
- RingInfo() : RDKit::RingInfo
- RingMatchesRingOnly : RDKit::MCSAtomCompareParameters, RDKit::MCSBondCompareParameters
- ringMatchesRingOnly : RDKit::RascalMCES::RascalOptions
- role() : RDKit::MarvinDataSgroup, RDKit::MarvinGenericSgroup, RDKit::MarvinMol, RDKit::MarvinMolBase, RDKit::MarvinMonomerSgroup, RDKit::MarvinMulticenterSgroup, RDKit::MarvinMultipleSgroup, RDKit::MarvinSruCoModSgroup, RDKit::MarvinSuperatomSgroup, RDKit::MarvinSuperatomSgroupExpanded
- rollbackBatchEdit() : RDKit::RWMol
- ROMol : RDKit::Atom, RDKit::Bond, RDKit::Conformer, RDKit::ROMol
- rootedAtAtom : RDKit::SmilesWriteParams
- rotate : RDKit::MolDrawOptions
- rotate90() : Point2D, RDGeom::Point2D
- RotatePatterns : RDKit::StructureCheck::StructCheckerOptions
- rotDir : RDDepict::EmbeddedAtom
- Row() : RDKit::atomicData
- Rule1a() : RDKit::CIPLabeler::Rule1a
- Rule1b() : RDKit::CIPLabeler::Rule1b
- Rule2() : RDKit::CIPLabeler::Rule2
- Rule3() : RDKit::CIPLabeler::Rule3
- Rule4a() : RDKit::CIPLabeler::Rule4a
- Rule4b() : RDKit::CIPLabeler::Rule4b
- Rule4c() : RDKit::CIPLabeler::Rule4c
- Rule5() : RDKit::CIPLabeler::Rule5
- Rule5New() : RDKit::CIPLabeler::Rule5New
- Rule6() : RDKit::CIPLabeler::Rule6
- Rules() : RDKit::CIPLabeler::Rules
- run() : RDKit::MolStandardize::Pipeline, RDKit::RGroupGa
- runBatch() : RDKit::RGroupGa
- runReactant() : RDKit::ChemicalReaction
- runReactants() : RDKit::ChemicalReaction
- Rvdw() : RDKit::atomicData
- RWMol : RDKit::Atom, RDKit::Bond, RDKit::ROMol, RDKit::RWMol
- RWMol_T : RDKit::ExtendedQueryMol, RDKit::GeneralizedSubstruct::ExtendedQueryMol
- rxn : RDKit::Deprotect::DeprotectData
- RxnSanitizeException() : RDKit::RxnSanitizeException