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:
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- r -
RandomAccessSupplierIter() :
RDKit::v2::FileParsers::RandomAccessSupplierIter< Supplier >
RandomSampleAllBBsStrategy() :
RDKit::RandomSampleAllBBsStrategy
randomSampleFlipsAndPermutations() :
RDDepict::EmbeddedFrag
RandomSampleStrategy() :
RDKit::RandomSampleStrategy
range() :
RDKit::MolDraw2D
RangeQuery() :
Queries::RangeQuery< MatchFuncArgType, DataFuncArgType, needsConversion >
RascalResult() :
RDKit::RascalMCES::RascalResult
rascalSearch() :
RDKit::SynthonSpaceSearch::SynthonSpace
Rb0() :
RDKit::atomicData
rbegin() :
DistGeom::ZMatrix
,
RDKit::v2::FileParsers::SDMolSupplier
,
RDKit::v2::FileParsers::SmilesMolSupplier
,
RDKit::v2::FileParsers::TDTMolSupplier
RCore() :
RDKit::RCore
Rcov() :
RDKit::atomicData
RDAny() :
RDKit::RDAny
RDKitFPArguments() :
RDKit::RDKitFP::RDKitFPArguments
RDKitFPAtomEnv() :
RDKit::RDKitFP::RDKitFPAtomEnv< OutputType >
RDKitValidation() :
RDKit::MolStandardize::RDKitValidation
rdLogger() :
boost::logging::rdLogger
RDProps() :
RDKit::RDProps
RDValue() :
RDKit::RDValue
ReactionFingerprintParams() :
RDKit::ReactionFingerprintParams
reactionFromPickle() :
RDKit::ReactionPickler
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
RealValueVect() :
RDKit::RealValueVect
recalculateRects() :
RDKit::MolDraw2D_detail::AtomSymbol
recalculateScore() :
RDKit::RGroupDecompositionChromosome
rechargeMolecule() :
RDKit::StructureCheck::ChargeFix
recursiveCompare() :
RDKit::CIPLabeler::SequenceRule
RecursiveLocker() :
RDKit::detail::RecursiveLocker
RecursiveStructureQuery() :
RDKit::RecursiveStructureQuery
ref() :
RDKit::CIPLabeler::PairList
Reflect() :
RDDepict::EmbeddedAtom
,
RDDepict::EmbeddedFrag
,
RDGeom::Transform3D
registerProperty() :
RDKit::Descriptors::Properties
reionize() :
RDKit::MolStandardize::Reionizer
reionizeInPlace() :
RDKit::MolStandardize::Reionizer
Reionizer() :
RDKit::MolStandardize::Reionizer
relabel() :
RDKit::RGroupDecompData
relabelCore() :
RDKit::RGroupDecompData
relabelRGroup() :
RDKit::RGroupDecompData
remove() :
RDKit::MolStandardize::FragmentRemover
removeAgentTemplates() :
RDKit::ChemicalReaction
removeAtom() :
RDKit::RWMol
removeAtomWithIdx() :
RDKit::SubstanceGroup
removeBond() :
RDKit::RWMol
removeBondWithIdx() :
RDKit::SubstanceGroup
removeCollisionsBondAndSpiroFlip() :
RDDepict::EmbeddedFrag
removeCollisionsBondFlip() :
RDDepict::EmbeddedFrag
removeCollisionsOpenAngles() :
RDDepict::EmbeddedFrag
removeCollisionsPathAngleExpansion() :
RDDepict::EmbeddedFrag
removeCollisionsShortenBonds() :
RDDepict::EmbeddedFrag
removeConformer() :
RDKit::ROMol
removeCoords() :
RDKit::MarvinMolBase
removeDuplicatesAndHs() :
RDKit::CIPLabeler::Configuration
removeEmptySynthonSets() :
RDKit::SynthonSpaceSearch::SynthonSet
removeEntry() :
RDKit::FilterCatalog
removeInPlace() :
RDKit::MolStandardize::FragmentRemover
removeInternalEdges() :
RDKit::CIPLabeler::Configuration
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
rend() :
DistGeom::ZMatrix
,
RDKit::v2::FileParsers::SDMolSupplier
,
RDKit::v2::FileParsers::SmilesMolSupplier
,
RDKit::v2::FileParsers::TDTMolSupplier
RepeatUnitOp() :
RDKit::MolEnumerator::RepeatUnitOp
replaceAtom() :
RDKit::RWMol
replaceAtomBookmark() :
RDKit::ROMol
replaceBond() :
RDKit::RWMol
replaceCoreAtomsWithMolMatches() :
RDKit::RCore
replaceHydrogenCoreDummy() :
RDKit::RGroupDecompData
reportSynthonUsage() :
RDKit::SynthonSpaceSearch::SynthonSpace
reserve() :
RDKit::Conformer
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
resetRingFamilies() :
RDKit::RingInfo
resetState() :
RDKit::EnumerateLibraryBase
resize() :
RDKit::Conformer
,
RDKit::FMCS::TArray2D< T >
resolveAtomSymbolClashes() :
RDKit::MolDraw2D_detail::DrawMol
ResonanceMolSupplier() :
RDKit::ResonanceMolSupplier
ResonanceMolSupplierCallback() :
RDKit::ResonanceMolSupplierCallback
RGroupData() :
RDKit::RGroupData
RGroupDecompData() :
RDKit::RGroupDecompData
RGroupDecomposition() :
RDKit::RGroupDecomposition
RGroupDecompositionChromosome() :
RDKit::RGroupDecompositionChromosome
RGroupDecompositionParameters() :
RDKit::RGroupDecompositionParameters
RGroupDecompositionProcessResult() :
RDKit::RGroupDecompositionProcessResult
RGroupGa() :
RDKit::RGroupGa
RGroupMatch() :
RDKit::RGroupMatch
RGroupScorer() :
RDKit::RGroupScorer
RigorousEnhancedStereoException() :
RDKit::RigorousEnhancedStereoException
RingInfo() :
RDKit::RingInfo
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::ROMol
rotate90() :
Point2D
,
RDGeom::Point2D
,
RDKit::MolDraw2D_detail::Point2D
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::RWMol
RxnSanitizeException() :
RDKit::RxnSanitizeException
Generated on
for RDKit by
1.17.0