RDKit
Open-source cheminformatics and machine learning.
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Here is a list of all variables with links to the classes they belong to:
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- i -
i :
RDKit::RDTypeTag::detail::Value
id :
RDKit::MarvinAtom
,
RDKit::MarvinBond
,
RDKit::MarvinCondition
,
RDKit::MarvinMolBase
,
RDKit::MarvinPlus
,
RDKit::SubstanceGroup::AttachPoint
idx :
DistGeom::FourthDimContribsParams
,
ForceFields::CrystalFF::ExpTorsionAngle
,
ForceFields::CrystalFF::GaussianExpTorsionAngle
,
RDKit::Descriptors::CrippenParams
idx1 :
DistGeom::ChiralViolationContribsParams
,
DistGeom::DistViolationContribsParams
,
ForceFields::AngleConstraintContribsParams
,
ForceFields::CrystalFF::GaussianTorsionAngleContribsParams
,
ForceFields::CrystalFF::PlanarityContribsParams
,
ForceFields::CrystalFF::TorsionAngleContribsParams
,
ForceFields::DistanceConstraintContribsParams
,
ForceFields::UFF::InversionContribsParams
idx2 :
DistGeom::ChiralViolationContribsParams
,
DistGeom::DistViolationContribsParams
,
ForceFields::AngleConstraintContribsParams
,
ForceFields::CrystalFF::GaussianTorsionAngleContribsParams
,
ForceFields::CrystalFF::PlanarityContribsParams
,
ForceFields::CrystalFF::TorsionAngleContribsParams
,
ForceFields::DistanceConstraintContribsParams
,
ForceFields::UFF::InversionContribsParams
idx3 :
DistGeom::ChiralViolationContribsParams
,
ForceFields::AngleConstraintContribsParams
,
ForceFields::CrystalFF::GaussianTorsionAngleContribsParams
,
ForceFields::CrystalFF::PlanarityContribsParams
,
ForceFields::CrystalFF::TorsionAngleContribsParams
,
ForceFields::UFF::InversionContribsParams
idx4 :
DistGeom::ChiralViolationContribsParams
,
ForceFields::CrystalFF::GaussianTorsionAngleContribsParams
,
ForceFields::CrystalFF::PlanarityContribsParams
,
ForceFields::CrystalFF::TorsionAngleContribsParams
,
ForceFields::UFF::InversionContribsParams
ignoreAtomAromaticity :
RDKit::RascalMCES::RascalOptions
ignoreAtomMapNumbers :
RDKit::SmilesWriteParams
ignoreAtoms :
RDKit::FingerprintFuncArguments
ignoreBondOrders :
RDKit::RascalMCES::RascalOptions
ignoreHs :
RDKit::MolAlign::BestAlignmentParams
ignoreSmoothingFailures :
RDKit::DGeomHelpers::EmbedParameters
IMPL_HYDROGEN :
RDKit::CIPLabeler::Node
improperAtoms :
ForceFields::CrystalFF::CrystalFFDetails
includeAgents :
RDKit::ReactionFingerprintParams
includeAnnotations_ :
RDKit::MolDraw2D_detail::DrawMol
includeAtomTags :
RDKit::MolDrawOptions
includeChiralFlagLabel :
RDKit::MolDrawOptions
includeDativeBonds :
RDKit::SmilesWriteParams
includeDummies :
RDKit::GaussianShape::ShapeInputOptions
includeGenericBondScaffolds :
RDKit::ScaffoldNetwork::ScaffoldNetworkParams
includeGenericScaffolds :
RDKit::ScaffoldNetwork::ScaffoldNetworkParams
includeLeavingGroups :
RDKit::v2::FileParsers::MolFromSCSRParams
includeLigand :
RDKit::Descriptors::DoubleCubicLatticeVolume
includeMetadata :
RDKit::MolDrawOptions
includeMol :
RDKit::PNGMetadataParams
includeNames :
RDKit::ScaffoldNetwork::ScaffoldNetworkParams
includePkl :
RDKit::PNGMetadataParams
includeRadicals :
RDKit::MolDrawOptions
includeScaffoldsWithAttachments :
RDKit::ScaffoldNetwork::ScaffoldNetworkParams
includeScaffoldsWithoutAttachments :
RDKit::ScaffoldNetwork::ScaffoldNetworkParams
includeSmiles :
RDKit::PNGMetadataParams
includeStereo :
RDKit::MolWriterParams
,
RDKit::MrvWriterParams
includesXBonds :
RDKit::Abbreviations::AbbreviationDefinition
includeTargetMolInResults :
RDKit::RGroupDecompositionParameters
index :
RDKit::Canon::canon_atom
IndividualBondExcluded :
RDKit::FMCS::ExecStatistics
initialEmbeddingMode :
RDKit::DGeomHelpers::EmbedParameters
InitialSeed :
RDKit::FMCS::ExecStatistics
,
RDKit::MCSParameters
inputMolData :
RDKit::MolStandardize::PipelineResult
interimFile :
RDKit::SynthonSpaceSearch::ShapeBuildParams
interimWrites :
RDKit::SynthonSpaceSearch::ShapeBuildParams
internal :
DistGeom::ZMatrix::ZMatrixRow
internalCoords :
ForceFields::CrystalFF::CrystalFFDetails
is2DZeroThreshold :
RDKit::MolStandardize::PipelineOptions
is_hydrogen :
RDKit::RGroupData
is_linker :
RDKit::RGroupData
isCBoundToO :
ForceFields::UFF::InversionContribsParams
IsClass :
type_caster< boost::shared_ptr< T > >
isExpanded :
RDKit::MarvinMultipleSgroup
isForced :
RDKit::DGeomHelpers::TorsionValue
isotope :
RDKit::MarvinAtom
isotopeLabels :
RDKit::MolDrawOptions
isoVal :
conrec::ConrecSegment
isovalScaleForQuantization :
RDKit::MolDraw2DUtils::ContourParams
isProtein :
RDKit::Descriptors::DoubleCubicLatticeVolume
isReactionMol_ :
RDKit::MolDraw2D_detail::DrawMol
isRingStereoAtom :
RDKit::Canon::canon_atom
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for RDKit by
1.17.0