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:
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~
- u -
u :
RDKit::RDTypeTag::detail::Value
U1 :
ForceFields::UFF::AtomicParams
ub :
DistGeom::DistViolationContribsParams
ub2 :
DistGeom::DistViolationContribsParams
UFFVdWaals() :
RDMIF::UFFVdWaals
uncharge() :
RDKit::MolStandardize::Uncharger
unchargeInPlace() :
RDKit::MolStandardize::Uncharger
Uncharger() :
RDKit::MolStandardize::Uncharger
UNCONSTRAINED_ANIONS :
RDKit::ResonanceMolSupplier
UNCONSTRAINED_CATIONS :
RDKit::ResonanceMolSupplier
underflow() :
boost_adaptbx::python::streambuf
UniformGrid3D() :
RDGeom::UniformGrid3D
UniformRealValueGrid3D() :
RDGeom::UniformRealValueGrid3D
UnimplementedFPException() :
RDKit::UnimplementedFPException
unique :
RDKit::EnumerateStereoisomers::StereoEnumerationOptions
uniquify :
RDKit::SubstructMatchParameters
units :
RDKit::MarvinDataSgroup
unitsDisplayed :
RDKit::MarvinDataSgroup
UNKNOWN :
RDKit::AtomMonomerInfo
,
RDKit::Bond
unsetBit() :
BitVect
,
ExplicitBitVect
,
SparseBitVect
UNSPECIFIED :
RDDepict::EmbeddedAtom
,
RDKit::Atom
,
RDKit::Bond
unspecifiedStereoIsUnknown :
RDKit::MolDrawOptions
update() :
RDKit::Dict
,
RDKit::ProgressBar
updateAdditionalOutput() :
RDKit::AtomEnvironment< OutputType >
,
RDKit::AtomPair::AtomPairAtomEnv< OutputType >
,
RDKit::MorganFingerprint::MorganAtomEnv< OutputType >
,
RDKit::RDKitFP::RDKitFPAtomEnv< OutputType >
,
RDKit::TopologicalTorsion::TopologicalTorsionAtomEnv< OutputType >
updateBestHitSoFar() :
RDKit::SynthonSpaceSearch::SynthonSpaceSearcher
updateExplicitCount :
RDKit::MolOps::RemoveHsParameters
updateMaxSynthonSetSize() :
RDKit::SynthonSpaceSearch::Synthon
updateNewNeighs() :
RDDepict::EmbeddedFrag
updatePropertyCache() :
RDKit::Atom
,
RDKit::Bond
,
RDKit::ROMol
updateProps() :
RDKit::RDProps
updateTorsion() :
DistGeom::ZMatrix
UPGMA :
RDPickers::HierarchicalClusterPicker
upper :
DistGeom::TorsionRange
,
RDKit::DGeomHelpers::Bounds
upperBound() :
RDKit::RascalMCES::PartitionSet
upperLeft :
RDKit::MarvinRectangle
useBasicKnowledge :
RDKit::DGeomHelpers::EmbedParameters
useChirality :
RDKit::SubstructMatchParameters
useColors :
RDKit::GaussianShape::ShapeInputOptions
useComplexQueryAtomSymbols :
RDKit::MolDrawOptions
useDistCutoff :
RDKit::GaussianShape::ShapeOverlayOptions
UsedLabelMap() :
RDKit::UsedLabelMap
useEnhancedStereo :
RDKit::SubstructMatchParameters
useExpTorsionAnglePrefs :
RDKit::DGeomHelpers::EmbedParameters
useFillThreshold :
RDKit::MolDraw2DUtils::ContourParams
useGenericMatchers :
RDKit::SubstructMatchParameters
useHCounts :
RDKit::MolInterchange::JSONParseParameters
useLegacyImplementation :
RDKit::DGeomHelpers::EmbedParameters
useMacrocycle14config :
RDKit::DGeomHelpers::EmbedParameters
useMacrocycleTorsions :
RDKit::DGeomHelpers::EmbedParameters
useMMFFSim :
RDKit::MolAlign::O3AFuncData
useMolBlockWedging :
RDKit::MolDrawOptions
usePathAngleExpansion :
RDDepict::Compute2DCoordParameters
useProgressBar :
RDKit::SynthonSpaceSearch::ShapeBuildParams
,
RDKit::SynthonSpaceSearch::SynthonSpaceSearchParams
useQueryQueryMatches :
RDKit::SubstructMatchParameters
useRandomCoords :
RDKit::DGeomHelpers::EmbedParameters
userConformerGenerator :
RDKit::SynthonSpaceSearch::ShapeBuildParams
,
RDKit::SynthonSpaceSearch::SynthonSpaceSearchParams
useRDKitExtensions :
RDKit::MolInterchange::JSONWriteParameters
UserFinalMatchChecker :
RDKit::detail::MCSParametersInternal
useRingTemplates :
RDDepict::Compute2DCoordParameters
,
RDDepict::ConstrainedDepictionParams
userLabels :
RDKit::RGroupDecompData
useSmallRingTorsions :
RDKit::DGeomHelpers::EmbedParameters
useStereoCareForBonds :
RDKit::MolOps::AdjustQueryParameters
useSymmetryForPruning :
RDKit::DGeomHelpers::EmbedParameters
Generated on
for RDKit by
1.17.0