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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- f -
FeatureFileParseException() :
RDKit::FeatureFileParseException
FeaturesValidation() :
RDKit::MolStandardize::FeaturesValidation
feq() :
RDKit::DrawColour
FileParseException() :
RDKit::FileParseException
fillCatalog() :
RDKit::FilterCatalogParams
fillFromDist() :
RDKit::MolAlign::SDM
fillFromLAP() :
RDKit::MolAlign::SDM
fillNewBonds() :
RDKit::FMCS::Seed
fillPolys() :
RDKit::MolDraw2D
fillVdwParamVectors() :
RDMIF::VdWaals
fillVectors() :
RDMIF::VdWaals
FilterCatalog() :
RDKit::FilterCatalog
FilterCatalogEntry() :
RDKit::FilterCatalogEntry
FilterCatalogParams() :
RDKit::FilterCatalogParams
FilterHierarchyMatcher() :
RDKit::FilterHierarchyMatcher
FilterMatch() :
RDKit::FilterMatch
FilterMatcherBase() :
RDKit::FilterMatcherBase
find() :
RDKit::FMCS::DuplicatedSeedCache
,
RDKit::FMCS::MaximumCommonSubgraph
,
RDKit::FMCS::SubstructureCache
findAtomByRef() :
RDKit::MarvinMolBase
findBondByRef() :
RDKit::MarvinMolBase
findCollisions() :
RDDepict::EmbeddedFrag
findCommonAtoms() :
RDDepict::EmbeddedFrag
findExtremes() :
RDKit::MolDraw2D_detail::AtomSymbol
,
RDKit::MolDraw2D_detail::DrawAnnotation
,
RDKit::MolDraw2D_detail::DrawMol
,
RDKit::MolDraw2D_detail::DrawShape
,
RDKit::MolDraw2D_detail::DrawShapeArc
,
RDKit::MolDraw2D_detail::DrawShapeArrow
,
RDKit::MolDraw2D_detail::DrawShapeDashedWedge
,
RDKit::MolDraw2D_detail::DrawShapeEllipse
findIndicesWithRLabel() :
RDKit::RCore
findInternalEdge() :
RDKit::CIPLabeler::Configuration
findNeighbor() :
RDDepict::EmbeddedFrag
findNumNeigh() :
RDDepict::EmbeddedFrag
findOtherBondVecs() :
RDKit::MolDraw2D_detail::DrawMol
FingerprintArguments() :
RDKit::FingerprintArguments
FingerprintFuncArguments() :
RDKit::FingerprintFuncArguments
FingerprintGenerator() :
RDKit::FingerprintGenerator< OutputType >
fingerprintSearch() :
RDKit::SynthonSpaceSearch::SynthonSpace
fingerprintVarianceGroupScore() :
RDKit::FingerprintVarianceScoreData
finishCreateDrawObjects() :
RDKit::MolDraw2D_detail::DrawMol
finishDrawing() :
RDKit::MolDraw2DCairo
,
RDKit::MolDraw2DSVG
finishPartialBond() :
RDKit::RWMol
firstValue() :
DistGeom::TorsionValues
FixedMolSizeMolBundle() :
RDKit::FixedMolSizeMolBundle
fixedPoints() :
ForceFields::ForceField
fixHighlightJoinProblems() :
RDKit::MolDraw2D_detail::DrawMolMCHCircleAndLine
flags() :
RDKit::ResonanceMolSupplier
flexiMode() :
RDKit::MolDraw2D
flip() :
RDKit::CIPLabeler::Edge
,
RDKit::EnumerateStereoisomers::details::AtomFlipper
,
RDKit::EnumerateStereoisomers::details::AtropisomerFlipper
,
RDKit::EnumerateStereoisomers::details::BondFlipper
,
RDKit::EnumerateStereoisomers::details::Flipper
,
RDKit::EnumerateStereoisomers::details::StereoGroupFlipper
flipAboutBond() :
RDDepict::EmbeddedFrag
flipAboutSpiroCenter() :
RDDepict::EmbeddedFrag
Flipper() :
RDKit::EnumerateStereoisomers::details::Flipper
flush() :
RDKit::MolWriter
,
RDKit::PDBWriter
,
RDKit::SDWriter
,
RDKit::SmilesWriter
,
RDKit::TDTWriter
fontCoordToDrawCoord() :
RDKit::MolDraw2D_detail::DrawTextFT
fontPosToDrawPos() :
RDKit::MolDraw2D_detail::DrawTextFT
fontScale() :
RDKit::MolDraw2D_detail::DrawText
fontSize() :
RDKit::MolDraw2D
,
RDKit::MolDraw2D_detail::DrawText
ForceField() :
ForceFields::ForceField
ForceFieldContrib() :
ForceFields::ForceFieldContrib
ForwardSDMolSupplier() :
RDKit::v1::ForwardSDMolSupplier
,
RDKit::v2::FileParsers::ForwardSDMolSupplier
ForwardSupplierIter() :
RDKit::v2::FileParsers::ForwardSupplierIter< Supplier >
FourthDimContribs() :
DistGeom::FourthDimContribs
FourthDimContribsParams() :
DistGeom::FourthDimContribsParams
FPBReader() :
RDKit::FPBReader
FractionalAtomicNum() :
RDKit::CIPLabeler::FractionalAtomicNum
FragCatalogEntry() :
RDKit::FragCatalogEntry
FragCatGenerator() :
RDKit::FragCatGenerator
FragCatParams() :
RDKit::FragCatParams
FragFPGenerator() :
RDKit::FragFPGenerator
fragMatchedSynthon() :
RDKit::SynthonSpaceSearch::SynthonSpaceShapeSearcher
FragmentCatalogEntry() :
RDKit::MolStandardize::FragmentCatalogEntry
FragmentCatalogParams() :
RDKit::MolStandardize::FragmentCatalogParams
FragmentRemover() :
RDKit::MolStandardize::FragmentRemover
FreeChemicalFeature() :
ChemicalFeatures::FreeChemicalFeature
from_cpp() :
type_caster< boost::shared_ptr< T > >
from_enum() :
better_enums::map< Enum, T, Compare >
from_python() :
type_caster< boost::shared_ptr< T > >
FromArray() :
RDKit::MHFPFingerprints::MHFPEncoder
fromJSON() :
RDKit::AtomEnvironmentGenerator< OutputType >
,
RDKit::AtomInvariantsGenerator
,
RDKit::AtomPair::AtomPairArguments
,
RDKit::AtomPair::AtomPairAtomInvGenerator
,
RDKit::BondInvariantsGenerator
,
RDKit::FingerprintArguments
,
RDKit::FingerprintGenerator< OutputType >
,
RDKit::MorganFingerprint::MorganArguments
,
RDKit::MorganFingerprint::MorganAtomInvGenerator
,
RDKit::MorganFingerprint::MorganBondInvGenerator
,
RDKit::MorganFingerprint::MorganEnvGenerator< OutputType >
,
RDKit::MorganFingerprint::MorganFeatureAtomInvGenerator
,
RDKit::RDKitFP::RDKitFPArguments
,
RDKit::RDKitFP::RDKitFPAtomInvGenerator
,
RDKit::RDKitFP::RDKitFPEnvGenerator< OutputType >
,
RDKit::TopologicalTorsion::TopologicalTorsionArguments
,
RDKit::TopologicalTorsion::TopologicalTorsionEnvGenerator< OutputType >
fromMol() :
RDKit::TautomerQuery
fromString() :
RDKit::SparseIntVect< IndexType >
FromStringArray() :
RDKit::MHFPFingerprints::MHFPEncoder
front() :
RDKit::FMCS::SeedSet
fullsize() :
RDKit::FMCS::SubstructureCache
fusedRingNeighbors() :
RDKit::RingInfo
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for RDKit by
1.17.0