Here is a list of all class members with links to the classes they belong to:
- i -
- i
: RDKit::RDTypeTag::detail::Value
- id
: RDKit::SubstanceGroup::AttachPoint
- idx
: RDKit::Descriptors::CrippenParams
- 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
- includeGenericBondScaffolds
: RDKit::ScaffoldNetwork::ScaffoldNetworkParams
- includeGenericScaffolds
: RDKit::ScaffoldNetwork::ScaffoldNetworkParams
- includeMetadata
: RDKit::MolDrawOptions
- includeRadicals
: RDKit::MolDrawOptions
- includesAtom()
: RDKit::SubstanceGroup
- includesBond()
: RDKit::SubstanceGroup
- includeScaffoldsWithAttachments
: RDKit::ScaffoldNetwork::ScaffoldNetworkParams
- includeScaffoldsWithoutAttachments
: RDKit::ScaffoldNetwork::ScaffoldNetworkParams
- increment()
: RDKit::CartesianProduct
- index()
: IndexErrorException
, RDKit::Canon::canon_atom
- IndexErrorException()
: IndexErrorException
- info()
: RDKit::RGroupDecompositionChromosome
- InfoBitRanker()
: RDInfoTheory::InfoBitRanker
- infoString()
: RDKit::AtomEnvironmentGenerator< OutputType >
, RDKit::AtomInvariantsGenerator
, RDKit::AtomPair::AtomPairArguments< OutputType >
, RDKit::AtomPair::AtomPairAtomInvGenerator
, RDKit::AtomPair::AtomPairEnvGenerator< OutputType >
, RDKit::BondInvariantsGenerator
, RDKit::FingerprintArguments< OutputType >
, RDKit::FingerprintGenerator< OutputType >
, RDKit::MorganFingerprint::MorganArguments< OutputType >
, RDKit::MorganFingerprint::MorganAtomInvGenerator
, RDKit::MorganFingerprint::MorganBondInvGenerator
, RDKit::MorganFingerprint::MorganEnvGenerator< OutputType >
, RDKit::MorganFingerprint::MorganFeatureAtomInvGenerator
, RDKit::RDKitFP::RDKitFPArguments< OutputType >
, RDKit::RDKitFP::RDKitFPAtomInvGenerator
, RDKit::RDKitFP::RDKitFPEnvGenerator< OutputType >
, RDKit::TopologicalTorsion::TopologicalTorsionArguments< OutputType >
, RDKit::TopologicalTorsion::TopologicalTorsionEnvGenerator< OutputType >
- InfoType
: RDInfoTheory::InfoBitRanker
- init()
: RDKit::FMCS::RingMatchTableSet
, RDKit::FMCS::TargetMatch
, RDKit::ForwardSDMolSupplier
, RDKit::FPBReader
, RDKit::MolSupplier
, RDKit::MultiFPBReader
, RDKit::PDBMolSupplier
, RDKit::RCore
, RDKit::SDMolSupplier
, RDKit::SmilesMolSupplier
, RDKit::TDTMolSupplier
- initAtom()
: RDKit::Atom
- initBond()
: RDKit::Bond
- initDistanceMatrix()
: ForceFields::ForceField
- initDrawMolecule()
: RDKit::MolDraw2D_detail::DrawMol
- initFromMol()
: RDKit::MolEnumerator::LinkNodeOp
, RDKit::MolEnumerator::MolEnumeratorOp
, RDKit::MolEnumerator::PositionVariationOp
, RDKit::MolEnumerator::RepeatUnitOp
- initFromOther()
: RDKit::Atom
- initFromStream()
: RDCatalog::CatalogEntry
, RDCatalog::CatalogParams
, RDCatalog::HierarchCatalog< entryType, paramType, orderType >
, RDKit::EnumerateLibrary
, RDKit::EnumerateLibraryBase
, RDKit::FilterCatalogEntry
, RDKit::FilterCatalogParams
, RDKit::FragCatalogEntry
, RDKit::FragCatParams
, 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
- initFromString()
: ChemicalFeatures::FreeChemicalFeature
, RDCatalog::CatalogEntry
, RDCatalog::CatalogParams
, RDCatalog::HierarchCatalog< entryType, paramType, orderType >
, RDKit::EnumerateLibraryBase
, RDKit::FilterCatalogEntry
, RDKit::FilterCatalogParams
, RDKit::FragCatalogEntry
, RDKit::FragCatParams
, 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
- 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
- InitialSeed
: RDKit::FMCS::ExecStatistics
, RDKit::MCSParameters
- initReactantMatchers()
: RDKit::ChemicalReaction
- 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
- invertChirality()
: RDKit::Atom
- IONIC
: RDKit::Bond
- 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
- isCompleted()
: RDKit::MCSResult
- isCoreAtomUserLabelled()
: RDKit::RCore
- isDone()
: RDDepict::EmbeddedFrag
- isDuplicate()
: RDKit::CIPLabeler::Node
- isEnd()
: RDKit::CIPLabeler::Edge
- isEqual()
: RDKit::FMCS::RingMatchTableSet
- isExpanded()
: RDKit::CIPLabeler::Node
- isInitialized()
: RDKit::ChemicalReaction
, RDKit::RingInfo
- isInRing()
: RDKit::CIPLabeler::CIPMol
- isInternalEdge()
: RDKit::CIPLabeler::Configuration
- isMMFFAromatic()
: ForceFields::MMFF::MMFFAromCollection
- isOk()
: RDKit::RGroupDecompositionChromosome
- isotopeLabels
: RDKit::MolDrawOptions
- isoVal
: conrec::ConrecSegment
- isPointInside()
: RDKit::MolDraw2D_detail::StringRect
- isPseudoAsymetric()
: RDKit::CIPLabeler::Priority
- isQueryBondInRing()
: RDKit::FMCS::RingMatchTableSet
- isReactionMol_
: RDKit::MolDraw2D_detail::DrawMol
- isRingStereoAtom
: RDKit::Canon::canon_atom
- isSet()
: RDKit::CIPLabeler::Node
, RDKit::FMCS::Composition2N
- isSubstructOf()
: RDKit::TautomerQuery
- isTargetBondInRing()
: RDKit::FMCS::RingMatchTableSet
- 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
: RDKit::FMCS::SeedSet
- iterator_category
: RDKit::MolStandardize::TautomerEnumeratorResult::const_iterator