RDKit
Open-source cheminformatics and machine learning.
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~
- m -
m_enumerator :
RDKit::EnumerateLibraryBase
m_initialEnumerator :
RDKit::EnumerateLibraryBase
m_numPermutations :
RDKit::EnumerationStrategyBase
m_permutation :
RDKit::EnumerationStrategyBase
m_permutationSizes :
RDKit::EnumerationStrategyBase
m_properties :
RDKit::Descriptors::Properties
m_rxn :
RDKit::EnumerateLibraryBase
m_value :
RDKit::RDAny
MacroAtomInfo() :
RDKit::MacroAtomInfo
MacroBondInfo() :
RDKit::MacroBondInfo
MacroMol() :
RDKit::MacroMol
MacroMolLeavingGroup() :
RDKit::MacroMolLeavingGroup
MacroMolTemplate() :
RDKit::MacroMolTemplate
MacroMolTemplateBuilder :
RDKit::MacroMolTemplate
,
RDKit::MacroMolTemplateBuilder
MacroMolTemplateLibrary() :
RDKit::MacroMolTemplateLibrary
makeAtomCircleHighlights() :
RDKit::MolDraw2D_detail::DrawMol
makeAtomEllipseHighlights() :
RDKit::MolDraw2D_detail::DrawMol
makeAtomHighlights() :
RDKit::MolDraw2D_detail::DrawMolMCHCircleAndLine
makeAtomsGeneric :
RDKit::MolOps::AdjustQueryParameters
makeAtomsGenericFlags :
RDKit::MolOps::AdjustQueryParameters
makeBondHighlightLines() :
RDKit::MolDraw2D_detail::DrawMol
makeBondHighlights() :
RDKit::MolDraw2D_detail::DrawMolMCHCircleAndLine
makeBondsGeneric :
RDKit::MolOps::AdjustQueryParameters
makeBondsGenericFlags :
RDKit::MolOps::AdjustQueryParameters
makeContinuousHighlights() :
RDKit::MolDraw2D_detail::DrawMol
makeDativeBond() :
RDKit::MolDraw2D_detail::DrawMol
makeDoubleBondLines() :
RDKit::MolDraw2D_detail::DrawMol
makeDummiesQueries :
RDKit::MolOps::AdjustQueryParameters
makeFingerprint() :
RDKit::FPHolderBase
,
RDKit::PatternHolder
,
RDKit::TautomerPatternHolder
makeHighlightEnd() :
RDKit::MolDraw2D_detail::DrawMol
makeHitsFromToTry() :
RDKit::SynthonSpaceSearch::SynthonSpaceSearcher
makeIntersectingArcs() :
RDKit::MolDraw2D_detail::DrawMolMCHLasso
makeQueryBond() :
RDKit::MolDraw2D_detail::DrawMol
makeSampleMolecule() :
RDKit::SynthonSpaceSearch::SynthonSet
makeStandardBond() :
RDKit::MolDraw2D_detail::DrawMol
makeSynthonSearchMols() :
RDKit::SynthonSpaceSearch::SynthonSet
makeTripleBondLines() :
RDKit::MolDraw2D_detail::DrawMol
makeWavyBond() :
RDKit::MolDraw2D_detail::DrawMol
makeWedgedBond() :
RDKit::MolDraw2D_detail::DrawMol
makeZeroBond() :
RDKit::MolDraw2D_detail::DrawMol
map() :
better_enums::map< Enum, T, Compare >
,
RDKit::MolAlign::BestAlignmentParams
marginPadding_ :
RDKit::MolDraw2D_detail::DrawMol
markDone() :
RDDepict::EmbeddedFrag
MarvinAtom() :
RDKit::MarvinAtom
MarvinBond() :
RDKit::MarvinBond
MarvinDataSgroup() :
RDKit::MarvinDataSgroup
MarvinGenericSgroup() :
RDKit::MarvinGenericSgroup
MarvinMol() :
RDKit::MarvinMol
MarvinMolBase() :
RDKit::MarvinMolBase
MarvinMonomerSgroup() :
RDKit::MarvinMonomerSgroup
MarvinMulticenterSgroup() :
RDKit::MarvinMulticenterSgroup
MarvinMultipleSgroup() :
RDKit::MarvinMultipleSgroup
MarvinRectangle() :
RDKit::MarvinRectangle
MarvinSruCoModSgroup() :
RDKit::MarvinSruCoModSgroup
MarvinStereoGroup() :
RDKit::MarvinStereoGroup
MarvinSuperatomSgroup() :
RDKit::MarvinSuperatomSgroup
MarvinSuperatomSgroupExpanded() :
RDKit::MarvinSuperatomSgroupExpanded
MarvinWriterException() :
RDKit::MarvinWriterException
Mass() :
RDKit::atomicData
Match() :
Queries::AndQuery< MatchFuncArgType, DataFuncArgType, needsConversion >
,
Queries::EqualityQuery< MatchFuncArgType, DataFuncArgType, needsConversion >
,
Queries::GreaterEqualQuery< MatchFuncArgType, DataFuncArgType, needsConversion >
,
Queries::GreaterQuery< MatchFuncArgType, DataFuncArgType, needsConversion >
,
Queries::LessEqualQuery< MatchFuncArgType, DataFuncArgType, needsConversion >
,
Queries::LessQuery< MatchFuncArgType, DataFuncArgType, needsConversion >
,
Queries::OrQuery< MatchFuncArgType, DataFuncArgType, needsConversion >
,
Queries::Query< MatchFuncArgType, DataFuncArgType, needsConversion >
,
Queries::RangeQuery< MatchFuncArgType, DataFuncArgType, needsConversion >
,
Queries::SetQuery< MatchFuncArgType, DataFuncArgType, needsConversion >
,
Queries::XOrQuery< MatchFuncArgType, DataFuncArgType, needsConversion >
,
RDKit::Atom
,
RDKit::AtomRingQuery
,
RDKit::Bond
,
RDKit::HasPropQuery< TargetPtr >
,
RDKit::HasPropWithValueQuery< TargetPtr, T >
,
RDKit::HasPropWithValueQuery< TargetPtr, ExplicitBitVect >
,
RDKit::HasPropWithValueQuery< TargetPtr, std::string >
,
RDKit::QueryAtom
,
RDKit::QueryBond
match :
RDKit::Abbreviations::AbbreviationMatch
,
RDKit::FMCS::MaximumCommonSubgraph
,
RDKit::FragCatalogEntry
MATCH_FUNC_ARG_TYPE :
Queries::Query< MatchFuncArgType, DataFuncArgType, needsConversion >
MatchCall :
RDKit::FMCS::ExecStatistics
MatchCallTrue :
RDKit::FMCS::ExecStatistics
MatchChiralTag :
RDKit::MCSAtomCompareParameters
MatchedAtomSize :
RDKit::FMCS::TargetMatch
MatchedBondSize :
RDKit::FMCS::TargetMatch
matchedCore :
RDKit::RGroupMatch
matcher :
RDKit::MolStandardize::TautomerScoringFunctions::SubstructTerm
matches() :
RDKit::MolAlign::O3A
,
RDKit::RGroupDecompData
MatchFormalCharge :
RDKit::MCSAtomCompareParameters
MatchFusedRings :
RDKit::MCSBondCompareParameters
MatchFusedRingsStrict :
RDKit::MCSBondCompareParameters
MatchingAtomIterator_() :
RDKit::MatchingAtomIterator_< Atom_, Mol_ >
matchingMol :
RDKit::RCore
matchingStrategy :
RDKit::RGroupDecompositionParameters
MatchIsotope :
RDKit::MCSAtomCompareParameters
MatchResult :
RDKit::FMCS::Seed
matchScore() :
RDKit::RGroupScorer
MatchStereo :
RDKit::MCSBondCompareParameters
matchTerminalUserRGroups() :
RDKit::RCore
MatchValences :
RDKit::MCSAtomCompareParameters
Matrix() :
RDNumeric::Matrix< TYPE >
max :
RDKit::FilterData_t
max_font_size_ :
RDKit::MolDraw2D_detail::DrawText
maxAngle :
ForceFields::AngleConstraintContribsParams
maxBestMCESs :
RDKit::RascalMCES::RascalOptions
maxBondMatchPairs :
RDKit::RascalMCES::RascalOptions
MaxDistance :
RDKit::MCSAtomCompareParameters
maxEmbedAttempts :
RDKit::SynthonSpaceSearch::ShapeBuildParams
maxExcludedVolume :
RDKit::SynthonSpaceSearch::SynthonSpaceSearchParams
MaxFindBondOrdersItersExceeded() :
RDKit::MaxFindBondOrdersItersExceeded
maxFontSize() :
RDKit::MolDraw2D_detail::DrawText
,
RDKit::MolDrawOptions
maxFragSeparation :
RDKit::RascalMCES::RascalOptions
maxHitChiralAtoms :
RDKit::SynthonSpaceSearch::SynthonSpaceSearchParams
maxHitHeavyAtoms :
RDKit::SynthonSpaceSearch::SynthonSpaceSearchParams
maxHitMolWt :
RDKit::SynthonSpaceSearch::SynthonSpaceSearchParams
maxHits :
RDKit::SynthonSpaceSearch::SynthonSpaceSearchParams
MaximizeBonds :
RDKit::MCSParameters
MaximumCommonSubgraph() :
RDKit::FMCS::MaximumCommonSubgraph
maxIsomers :
RDKit::EnumerateStereoisomers::StereoEnumerationOptions
maxIterations :
RDKit::DGeomHelpers::EmbedParameters
MaxIterationsExceeded() :
RDKit::CIPLabeler::MaxIterationsExceeded
maxLen :
ForceFields::DistanceConstraintContribsParams
maxMatches :
RDKit::MolAlign::BestAlignmentParams
,
RDKit::SubstructMatchParameters
maxMeanExcludedVolume :
RDKit::SynthonSpaceSearch::SynthonSpaceSearchParams
MaxMinPicker() :
RDPickers::MaxMinPicker
MaxMolSize :
RDKit::StructureCheck::StructCheckerOptions
maxNumFrags :
RDKit::RascalMCES::RascalClusterOptions
maxNumFragSets :
RDKit::SynthonSpaceSearch::SynthonSpaceSearchParams
maxPermutations :
RDKit::CartesianProduct
maxPossibleHitsToWrite :
RDKit::SynthonSpaceSearch::SynthonSpaceSearchParams
maxPossibleSimilarity() :
RDKit::GaussianShape::ShapeInput
maxRadius :
RDKit::Descriptors::DoubleCubicLatticeVolume
maxRecursiveMatches :
RDKit::SubstructMatchParameters
maxRep :
RDKit::MolEnumerator::LinkNode
maxRestarts :
RDKit::MolStandardize::CleanupParameters
maxSynthonAtoms :
RDKit::SynthonSpaceSearch::ShapeBuildParams
maxTautomers :
RDKit::MolStandardize::CleanupParameters
maxToEnumerate :
RDKit::MolEnumerator::MolEnumeratorParams
maxTransforms :
RDKit::MolStandardize::CleanupParameters
mcHighlightAtomMap_ :
RDKit::MolDraw2D_detail::DrawMolMCH
mcHighlightBondMap_ :
RDKit::MolDraw2D_detail::DrawMolMCH
MCQUITTY :
RDPickers::HierarchicalClusterPicker
MCSFoundStep :
RDKit::FMCS::ExecStatistics
MCSFoundTime :
RDKit::FMCS::ExecStatistics
MCSParameters() :
RDKit::MCSParameters
MCSParametersInternal() :
RDKit::detail::MCSParametersInternal
MCSProgressData() :
RDKit::MCSProgressData
MCSResult() :
RDKit::MCSResult
meanBondLength_ :
RDKit::MolDraw2D_detail::DrawMol
MemberType :
RDKit::RingInfo
MemoryMappedFileReader() :
RDKit::SynthonSpaceSearch::details::MemoryMappedFileReader
merge :
DistGeom::TorsionValues
,
RDKit::GaussianShape::ShapeInput
,
RDKit::SynthonSpaceSearch::SynthonShapeInput
mergeFragsWithComm() :
RDDepict::EmbeddedFrag
mergeHs :
RDKit::v1::SmartsParserParams
,
RDKit::v2::SmilesParse::SmartsParserParams
mergeNoCommon() :
RDDepict::EmbeddedFrag
mergeResults() :
RDKit::SynthonSpaceSearch::SearchResults
mergeWithCommon() :
RDDepict::EmbeddedFrag
messages() :
RDLog::CaptureLog
MetalDisconnector() :
RDKit::MolStandardize::MetalDisconnector
metalNof :
RDKit::MolStandardize::PipelineOptions
metalNon :
RDKit::MolStandardize::PipelineOptions
method :
RDKit::SubsetOptions
MetricMatrixCalc() :
RDDataManip::MetricMatrixCalc< vectType, entryType >
MHFPEncoder() :
RDKit::MHFPFingerprints::MHFPEncoder
mimicDistMatAndDensityCostFunc() :
RDDepict::EmbeddedFrag
min_font_size_ :
RDKit::MolDraw2D_detail::DrawText
minAngle :
ForceFields::AngleConstraintContribsParams
minAtomRingSize() :
RDKit::RingInfo
minBondRingSize() :
RDKit::RingInfo
minCliqueSize :
RDKit::RascalMCES::RascalOptions
minFontSize() :
RDKit::MolDraw2D_detail::DrawText
,
RDKit::MolDrawOptions
minFragSize :
RDKit::RascalMCES::RascalClusterOptions
,
RDKit::RascalMCES::RascalOptions
minHitChiralAtoms :
RDKit::SynthonSpaceSearch::SynthonSpaceSearchParams
minHitHeavyAtoms :
RDKit::SynthonSpaceSearch::SynthonSpaceSearchParams
minHitMolWt :
RDKit::SynthonSpaceSearch::SynthonSpaceSearchParams
minimize() :
ForceFields::ForceField
minIntraClusterSim :
RDKit::RascalMCES::RascalClusterOptions
minLen :
ForceFields::DistanceConstraintContribsParams
minMedianBondLength :
RDKit::MolStandardize::Layout2DValidation
,
RDKit::MolStandardize::PipelineOptions
minPt() :
RDKit::MolDraw2D
minRep :
RDKit::MolEnumerator::LinkNode
MismatchedInitialSeed :
RDKit::FMCS::ExecStatistics
mltb :
ForceFields::MMFF::MMFFProp
MMFF94 :
RDKit::MolAlign::O3A
MMFFAngleCollection() :
ForceFields::MMFF::MMFFAngleCollection
MMFFAromCollection() :
ForceFields::MMFF::MMFFAromCollection
MMFFAtomProperties() :
RDKit::MMFF::MMFFAtomProperties
mmffAtomType :
RDKit::MMFF::MMFFAtomProperties
MMFFBndkCollection() :
ForceFields::MMFF::MMFFBndkCollection
MMFFBondCollection() :
ForceFields::MMFF::MMFFBondCollection
MMFFChgCollection() :
ForceFields::MMFF::MMFFChgCollection
MMFFCovRadPauEleCollection() :
ForceFields::MMFF::MMFFCovRadPauEleCollection
MMFFDefCollection() :
ForceFields::MMFF::MMFFDefCollection
MMFFDfsbCollection() :
ForceFields::MMFF::MMFFDfsbCollection
mmffFormalCharge :
RDKit::MMFF::MMFFAtomProperties
MMFFHerschbachLaurieCollection() :
ForceFields::MMFF::MMFFHerschbachLaurieCollection
MMFFMolProperties() :
RDKit::MMFF::MMFFMolProperties
MMFFOopCollection() :
ForceFields::MMFF::MMFFOopCollection
mmffPartialCharge :
RDKit::MMFF::MMFFAtomProperties
MMFFPBCICollection() :
ForceFields::MMFF::MMFFPBCICollection
MMFFPropCollection() :
ForceFields::MMFF::MMFFPropCollection
MMFFStbnCollection() :
ForceFields::MMFF::MMFFStbnCollection
MMFFTorCollection() :
ForceFields::MMFF::MMFFTorCollection
MMFFVdWaals() :
RDMIF::MMFFVdWaals
MMFFVdWCollection() :
ForceFields::MMFF::MMFFVdWCollection
modifiedAtoms() :
RDKit::MolStandardize::TautomerEnumeratorResult
modifiedBonds() :
RDKit::MolStandardize::TautomerEnumeratorResult
Mol :
RDKit::MolStandardize::TautomerTransform
mol :
RDKit::Abbreviations::AbbreviationDefinition
,
RDKit::Descriptors::DoubleCubicLatticeVolume
,
RDKit::ResonanceMolSupplier
MolAlignException() :
RDKit::MolAlign::MolAlignException
MolBundle() :
RDKit::MolBundle
MolBundle_T :
RDKit::ExtendedQueryMol
,
RDKit::GeneralizedSubstruct::ExtendedQueryMol
MolCatalogEntry() :
RDKit::MolCatalogEntry
MolCatalogParams() :
RDKit::MolCatalogParams
MolChemicalFeature() :
RDKit::MolChemicalFeature
MolChemicalFeatureDef() :
RDKit::MolChemicalFeatureDef
MolChemicalFeatureFactory :
RDKit::MolChemicalFeature
molCounts :
RDKit::ScaffoldNetwork::ScaffoldNetwork
MolData3Ddescriptors() :
MolData3Ddescriptors
MolDraw2D() :
RDKit::MolDraw2D
MolDraw2DCairo() :
RDKit::MolDraw2DCairo
MolDraw2DJS() :
RDKit::MolDraw2DJS
MolDraw2DQt() :
RDKit::MolDraw2DQt
MolDraw2DSVG() :
RDKit::MolDraw2DSVG
MolDraw2Dwx() :
RDKit::MolDraw2Dwx
MolDrawOptions() :
RDKit::MolDrawOptions
Molecule :
RDKit::FMCS::Target
MoleculeFragment :
RDKit::FMCS::Seed
MolEnumeratorOp() :
RDKit::MolEnumerator::MolEnumeratorOp
MolFileUnhandledFeatureException() :
RDKit::v1::MolFileUnhandledFeatureException
,
RDKit::v2::FileParsers::MolFileUnhandledFeatureException
molFromPickle() :
RDKit::MolPickler
molHeight_ :
RDKit::MolDraw2D_detail::DrawMol
MolHistogram() :
RDKit::MolAlign::MolHistogram
MolHolder() :
RDKit::MolHolder
molID :
RDKit::MarvinMolBase
molIDInSgroups() :
RDKit::MarvinMolBase
MolMatchFinalCheckFunctor() :
RDKit::MolMatchFinalCheckFunctor
MolPickler :
RDKit::Atom
,
RDKit::RingInfo
,
RDKit::ROMol
MolPicklerException() :
RDKit::MolPicklerException
mols :
RDKit::RGroupData
MolSanitizeException() :
RDKit::MolSanitizeException
MolStackElem() :
RDKit::Canon::MolStackElem
MolSupplier() :
RDKit::v1::MolSupplier
,
RDKit::v2::FileParsers::MolSupplier
MolVSValidation() :
RDKit::MolStandardize::MolVSValidation
molWidth_ :
RDKit::MolDraw2D_detail::DrawMol
MolWriter() :
RDKit::MolWriter
moreElectroNegative() :
RDKit::PeriodicTable
MorganArguments() :
RDKit::MorganFingerprint::MorganArguments
MorganAtomEnv() :
RDKit::MorganFingerprint::MorganAtomEnv< OutputType >
MorganAtomInvGenerator() :
RDKit::MorganFingerprint::MorganAtomInvGenerator
MorganBondInvGenerator() :
RDKit::MorganFingerprint::MorganBondInvGenerator
MorganFeatureAtomInvGenerator() :
RDKit::MorganFingerprint::MorganFeatureAtomInvGenerator
MostCommonIsotope() :
RDKit::atomicData
MostCommonIsotopeMass() :
RDKit::atomicData
move() :
RDKit::MolDraw2D_detail::AtomSymbol
,
RDKit::MolDraw2D_detail::DrawAnnotation
,
RDKit::MolDraw2D_detail::DrawShape
,
RDKit::MolDraw2D_detail::DrawShapeArc
,
RDKit::MolDraw2D_detail::DrawShapeArrow
,
RDKit::MolDraw2D_detail::DrawShapeDashedWedge
,
RDKit::MolDraw2D_detail::DrawShapeEllipse
moveTo() :
RDKit::ResonanceMolSupplier
,
RDKit::v1::SDMolSupplier
,
RDKit::v1::SmilesMolSupplier
,
RDKit::v1::TDTMolSupplier
,
RDKit::v2::FileParsers::SDMolSupplier
,
RDKit::v2::FileParsers::SmilesMolSupplier
,
RDKit::v2::FileParsers::TDTMolSupplier
MoveToFunctionImpl() :
RDKit::MolDraw2D_detail::DrawTextFT
,
RDKit::MolDraw2D_detail::DrawTextFTCairo
,
RDKit::MolDraw2D_detail::DrawTextFTJS
,
RDKit::MolDraw2D_detail::DrawTextFTQt
,
RDKit::MolDraw2D_detail::DrawTextFTSVG
mr :
RDKit::Descriptors::CrippenParams
mrvAlias :
RDKit::MarvinAtom
mrvMap :
RDKit::MarvinAtom
mrvStereoGroup :
RDKit::MarvinAtom
mrvValence :
RDKit::MarvinAtom
mult_inc_used :
RDKit::StructureCheck::IncEntry
multiColourHighlightStyle :
RDKit::MolDrawOptions
MultiFPBReader() :
RDKit::MultiFPBReader
MultInc :
RDKit::StructureCheck::IncEntry
multipleBondOffset :
RDKit::MolDrawOptions
myDraw() :
RDKit::MolDraw2D_detail::DrawShape
,
RDKit::MolDraw2D_detail::DrawShapeArc
,
RDKit::MolDraw2D_detail::DrawShapeArrow
,
RDKit::MolDraw2D_detail::DrawShapeDashedWedge
,
RDKit::MolDraw2D_detail::DrawShapeEllipse
,
RDKit::MolDraw2D_detail::DrawShapePolyLine
,
RDKit::MolDraw2D_detail::DrawShapeSimpleLine
,
RDKit::MolDraw2D_detail::DrawShapeSolidWedge
,
RDKit::MolDraw2D_detail::DrawShapeWavyLine
Generated on
for RDKit by
1.17.0