RDKit: Class Members

| 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:

### - 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, RDKit::Descriptors::CrippenParams
- idx1 : DistGeom::ChiralViolationContribsParams, DistGeom::DistViolationContribsParams, ForceFields::AngleConstraintContribsParams, ForceFields::CrystalFF::TorsionAngleContribsParams, ForceFields::DistanceConstraintContribsParams, ForceFields::UFF::InversionContribsParams
- idx2 : DistGeom::ChiralViolationContribsParams, DistGeom::DistViolationContribsParams, ForceFields::AngleConstraintContribsParams, ForceFields::CrystalFF::TorsionAngleContribsParams, ForceFields::DistanceConstraintContribsParams, ForceFields::UFF::InversionContribsParams
- idx3 : DistGeom::ChiralViolationContribsParams, ForceFields::AngleConstraintContribsParams, ForceFields::CrystalFF::TorsionAngleContribsParams, ForceFields::UFF::InversionContribsParams
- idx4 : DistGeom::ChiralViolationContribsParams, 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
- ImplicitFeature() : RDFeatures::ImplicitFeature< FAMILYMARKER, TYPEMARKER, LOCTYPE >
- improperAtoms : ForceFields::CrystalFF::CrystalFFDetails
- includeAgents : RDKit::ReactionFingerprintParams
- includeAnnotations_ : RDKit::MolDraw2D_detail::DrawMol
- includeAtomTags : RDKit::MolDrawOptions
- includeChiralFlagLabel : RDKit::MolDrawOptions
- includeDativeBonds : RDKit::SmilesWriteParams
- 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
- includesAtom() : RDKit::SubstanceGroup
- includesBond() : RDKit::SubstanceGroup
- includeScaffoldsWithAttachments : RDKit::ScaffoldNetwork::ScaffoldNetworkParams
- includeScaffoldsWithoutAttachments : RDKit::ScaffoldNetwork::ScaffoldNetworkParams
- includeSmiles : RDKit::PNGMetadataParams
- includeStereo : RDKit::MolWriterParams, RDKit::MrvWriterParams
- includesXBonds : RDKit::Abbreviations::AbbreviationDefinition
- includeTargetMolInResults : RDKit::RGroupDecompositionParameters
- increment() : RDKit::CartesianProduct
- index() : IndexErrorException, RDKit::Canon::canon_atom
- IndexErrorException() : IndexErrorException
- IndividualBondExcluded : RDKit::FMCS::ExecStatistics
- info() : RDKit::RGroupDecompositionChromosome
- InfoBitRanker() : RDInfoTheory::InfoBitRanker
- infoString() : RDKit::AtomEnvironmentGenerator< OutputType >, RDKit::AtomInvariantsGenerator, RDKit::AtomPair::AtomPairArguments, RDKit::AtomPair::AtomPairAtomInvGenerator, RDKit::AtomPair::AtomPairEnvGenerator< OutputType >, 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 >
- InfoType : RDInfoTheory::InfoBitRanker
- init() : RDKit::FMCS::TargetMatch, RDKit::FPBReader, RDKit::MultiFPBReader, RDKit::RCore, RDKit::v1::MolSupplier, RDKit::v2::FileParsers::ForwardSDMolSupplier, RDKit::v2::FileParsers::MolSupplier, RDKit::v2::FileParsers::SDMolSupplier, RDKit::v2::FileParsers::SmilesMolSupplier, RDKit::v2::FileParsers::TDTMolSupplier
- initAtom() : RDKit::Atom
- initBond() : RDKit::Bond
- initDistanceMatrix() : ForceFields::ForceField
- initDrawMolecule() : RDKit::MolDraw2D_detail::DrawMol
- initFromBinary() : RDKit::ExtendedQueryMol, RDKit::GeneralizedSubstruct::ExtendedQueryMol
- initFromJSON() : RDKit::ExtendedQueryMol, RDKit::GeneralizedSubstruct::ExtendedQueryMol
- initFromMol() : RDKit::MolEnumerator::LinkNodeOp, RDKit::MolEnumerator::MolEnumeratorOp, RDKit::MolEnumerator::PositionVariationOp, RDKit::MolEnumerator::RepeatUnitOp
- initFromOther() : RDKit::Atom, RDKit::ExtendedQueryMol, RDKit::GeneralizedSubstruct::ExtendedQueryMol
- initFromStream() : RDCatalog::CatalogEntry, RDCatalog::CatalogParams, RDCatalog::HierarchCatalog< entryType, paramType, orderType >, RDKit::EnumerateLibrary, RDKit::EnumerateLibraryBase, RDKit::FilterCatalogEntry, RDKit::FilterCatalogParams, RDKit::FragCatalogEntry, RDKit::FragCatParams, RDKit::MolBundle, RDKit::MolCatalogEntry, RDKit::MolCatalogParams, RDKit::MolStandardize::AcidBaseCatalogEntry, RDKit::MolStandardize::AcidBaseCatalogParams, RDKit::MolStandardize::FragmentCatalogEntry, RDKit::MolStandardize::FragmentCatalogParams, RDKit::MolStandardize::TautomerCatalogEntry, RDKit::MolStandardize::TautomerCatalogParams, RDKit::MolStandardize::TransformCatalogEntry, RDKit::MolStandardize::TransformCatalogParams, RDKit::SubstructLibrary, RDKit::TautomerQuery
- initFromString() : ChemicalFeatures::FreeChemicalFeature, RDCatalog::CatalogEntry, RDCatalog::CatalogParams, RDCatalog::HierarchCatalog< entryType, paramType, orderType >, RDKit::EnumerateLibraryBase, RDKit::FilterCatalogEntry, RDKit::FilterCatalogParams, RDKit::FragCatalogEntry, RDKit::FragCatParams, RDKit::MolBundle, RDKit::MolCatalogEntry, RDKit::MolCatalogParams, RDKit::MolStandardize::AcidBaseCatalogEntry, RDKit::MolStandardize::AcidBaseCatalogParams, RDKit::MolStandardize::FragmentCatalogEntry, RDKit::MolStandardize::FragmentCatalogParams, RDKit::MolStandardize::TautomerCatalogEntry, RDKit::MolStandardize::TautomerCatalogParams, RDKit::MolStandardize::TransformCatalogEntry, RDKit::MolStandardize::TransformCatalogParams, RDKit::SubstructLibrary, RDKit::TautomerQuery
- initFromText() : BitVect
- initGenerator() : RDInfoTheory::BitCorrMatGenerator
- initialize() : ForceFields::ForceField, RDKit::CartesianProductStrategy, RDKit::EnumerationStrategyBase, RDKit::EvenSamplePairsStrategy, RDKit::RandomSampleAllBBsStrategy, RDKit::RandomSampleStrategy, RDKit::RingInfo
- initializeStrategy() : RDKit::CartesianProductStrategy, RDKit::EnumerationStrategyBase, RDKit::EvenSamplePairsStrategy, RDKit::RandomSampleAllBBsStrategy, RDKit::RandomSampleStrategy
- initializeTransforms() : RDKit::MolStandardize::TransformCatalogParams
- InitialSeed : RDKit::FMCS::ExecStatistics, RDKit::MCSParameters
- initReactantMatchers() : RDKit::ChemicalReaction
- inputMolData : RDKit::MolStandardize::PipelineResult
- insert() : Queries::SetQuery< MatchFuncArgType, DataFuncArgType, needsConversion >
- insertMol() : RDKit::RWMol
- insertSnapshot() : RDKit::Trajectory
- int_type : boost_adaptbx::python::streambuf
- INT_VECT : RDKit::RingInfo
- internalInitialize() : RDKit::EnumerationStrategyBase
- INVALID_TAG : RDKit::MolPickler
- Invariant() : Invar::Invariant
- InversionContrib() : ForceFields::UFF::InversionContrib
- InversionContribs() : ForceFields::UFF::InversionContribs
- InversionContribsParams() : ForceFields::UFF::InversionContribsParams
- invertChirality() : RDKit::Atom, RDKit::Bond
- IONIC : RDKit::Bond
- Is2DValidation() : RDKit::MolStandardize::Is2DValidation
- is2DZeroThreshold : RDKit::MolStandardize::PipelineOptions
- is2Power() : RDKit::FMCS::Composition2N
- is3D() : RDKit::Conformer
- is_hydrogen : RDKit::RGroupData
- is_linker : RDKit::RGroupData
- isAtomInRingOfSize() : RDKit::RingInfo
- isBeg() : RDKit::CIPLabeler::Edge
- isBondInRingOfSize() : RDKit::RingInfo
- isCBoundToO : ForceFields::UFF::InversionContribsParams
- isCompleted() : RDKit::MCSResult
- isCoreAtomUserLabelled() : RDKit::RCore
- isDone() : RDDepict::EmbeddedFrag
- isDuplicate() : RDKit::CIPLabeler::Node
- isDuplicateOrH() : RDKit::CIPLabeler::Node
- isDuplicateOrHydrogenEdge() : RDKit::CIPLabeler::Configuration
- isElement() : RDKit::MarvinAtom
- isEmpty() : RDKit::RascalMCES::PartitionSet
- isEnd() : RDKit::CIPLabeler::Edge
- isEqual() : RDKit::MarvinBond
- isExpanded() : RDKit::CIPLabeler::Node, RDKit::MarvinMultipleSgroup
- isFindFastOrBetter() : RDKit::RingInfo
- isInitialized() : RDKit::ChemicalReaction, RDKit::RingInfo
- isInRing() : RDKit::CIPLabeler::CIPMol
- isInternalEdge() : RDKit::CIPLabeler::Configuration
- isMMFFAromatic() : ForceFields::MMFF::MMFFAromCollection
- isMolHydrogen() : RDKit::RGroupData
- isOk() : RDKit::RGroupDecompositionChromosome
- isotope : RDKit::MarvinAtom
- isotopeLabels : RDKit::MolDrawOptions
- IsotopeValidation() : RDKit::MolStandardize::IsotopeValidation
- isoVal : conrec::ConrecSegment
- isovalScaleForQuantization : RDKit::MolDraw2DUtils::ContourParams
- isPassiveRoleForContraction() : RDKit::MarvinMol, RDKit::MarvinMolBase, RDKit::MarvinMultipleSgroup, RDKit::MarvinSuperatomSgroupExpanded
- isPassiveRoleForExpansion() : RDKit::MarvinMolBase, RDKit::MarvinMultipleSgroup, RDKit::MarvinSuperatomSgroup
- isPointInside() : RDKit::MolDraw2D_detail::StringRect
- isProtein : RDKit::Descriptors::DoubleCubicLatticeVolume
- isPseudoAsymetric() : RDKit::CIPLabeler::Priority
- isReactionMol_ : RDKit::MolDraw2D_detail::DrawMol
- isRingFused() : RDKit::RingInfo
- isRingStereoAtom : RDKit::Canon::canon_atom
- isSet() : RDKit::CIPLabeler::Node, RDKit::FMCS::Composition2N
- isSgroupInSetOfAtoms() : RDKit::MarvinMolBase, RDKit::MarvinSuperatomSgroup
- isSssrOrBetter() : RDKit::RingInfo
- isSubstructOf() : RDKit::TautomerQuery
- isSymmSssr() : RDKit::RingInfo
- isTerminal() : RDKit::CIPLabeler::Node
- isTerminalRGroupWithUserLabel() : RDKit::RCore
- istream() : boost_adaptbx::python::streambuf::istream
- isUnique() : RDKit::CIPLabeler::Priority
- isUserDefined() : RDKit::UsedLabelMap
- isValid() : RDKit::Deprotect::DeprotectData, RDKit::ExclusionList, RDKit::FilterCatalogEntry, RDKit::FilterHierarchyMatcher, RDKit::FilterMatcherBase, RDKit::FilterMatchOps::And, RDKit::FilterMatchOps::Not, RDKit::FilterMatchOps::Or, RDKit::MMFF::MMFFMolProperties, RDKit::SmartsMatcher
- isVisited() : RDKit::CIPLabeler::Node
- iterator : better_enums::_iterable< Element >, RDKit::FMCS::SeedSet
- iterator_category : RDKit::CXXAtomIterator< Graph, Vertex, Iterator >::CXXAtomIter, RDKit::CXXBondIterator< Graph, Edge, Iterator >::CXXBondIter, RDKit::MolStandardize::TautomerEnumeratorResult::const_iterator