Class Hierarchy

This inheritance list is sorted roughly, but not completely, alphabetically:

Cbetter_enums::_eat_assign< EnumType >	Get intrinsic value of an (Enum::value) by taking advantage of
Cbetter_enums::_initialize_at_program_start< Enum >
Cbetter_enums::_iterable< Element >
CRDKit::Abbreviations::AbbreviationDefinition
CRDKit::Abbreviations::AbbreviationMatch
CRDKit::MolOps::AddHsParameters
CRDKit::AdditionalOutput
CRDKit::MolOps::AdjustQueryParameters	Parameters controlling the behavior of MolOps::adjustQueryProperties
CForceFields::AngleConstraintContribsParams
CRDKit::AromaticAtomIterator_< Atom_, Mol_ >	Iterate over aromatic atoms, this is bidirectional
CRDKit::Canon::AtomCompareCode
CRDKit::Canon::AtomCompareFunctor
CRDKit::AtomCoordsMatchFunctor
CRDKit::atomicData
CForceFields::UFF::AtomicParams	Class to store atomic parameters for the Universal Force Field
CRDKit::AtomIterator_< Atom_, Mol_ >	A general random access iterator
CRDKit::AtomMonomerInfo	The abstract base class for atom-level monomer info
CRDKit::AtomPDBResidueInfo	Captures atom-level information about peptide residues
CRDKit::MolDraw2D_detail::AtomSymbol
CRDKit::SubstanceGroup::AttachPoint
CRDKit::SLNParse::AttribType
CRDKit::StructureCheck::AugmentedAtom
Cstd::basic_streambuf
Cboost_adaptbx::python::streambuf	A stream buffer getting data from and putting data into a Python file object
Cboost_adaptbx::python::streambuf	A stream buffer getting data from and putting data into a Python file object
CRDKit::MolAlign::BestAlignmentParams
CRDInfoTheory::BitCorrMatGenerator
CBitVect	Abstract base class for storing BitVectors
CExplicitBitVect	Class for bit vectors that are densely occupied
CSparseBitVect	Class for bit vectors that are sparsely occupied
CRDKit::Canon::bondholder
CRDKit::MacroBondInfo::BondInfo	One macro-bond connection in the owning graph bond's orientation
CRDKit::BondIterator_	Iterator for a molecule's bonds, currently BiDirectional, but it theoretically ought to be RandomAccess
CRDKit::Chirality::BondWedgingParameters
Cboost_py_deleter
CRDKit::DGeomHelpers::Bounds
CRDKit::Canon::canon_atom
CRDKit::CartesianProduct	Iterate through all possible permutations of the rgroups
CRDCatalog::Catalog< entryType, paramType >	Abstract base class for a catalog object
CRDCatalog::HierarchCatalog< FragCatalogEntry, FragCatParams, int >
CRDCatalog::HierarchCatalog< MolCatalogEntry, MolCatalogParams, int >
CRDCatalog::HierarchCatalog< AcidBaseCatalogEntry, AcidBaseCatalogParams, int >
CRDCatalog::HierarchCatalog< FragmentCatalogEntry, FragmentCatalogParams, int >
CRDCatalog::HierarchCatalog< TransformCatalogEntry, TransformCatalogParams, int >
CRDCatalog::HierarchCatalog< TautomerCatalogEntry, TautomerCatalogParams, int >
CRDCatalog::HierarchCatalog< entryType, paramType, orderType >	A Catalog with a hierarchical structure
CRDCatalog::Catalog< FilterCatalogEntry, FilterCatalogParams >
CRDKit::FilterCatalog
CRDCatalog::CatalogEntry	Abstract base class to be used to represent an entry in a Catalog
CRDKit::FilterCatalogEntry
CRDKit::FragCatalogEntry
CRDKit::MolCatalogEntry	This class is used to store ROMol objects in a MolCatalog
CRDKit::MolStandardize::AcidBaseCatalogEntry
CRDKit::MolStandardize::FragmentCatalogEntry
CRDKit::MolStandardize::TautomerCatalogEntry
CRDKit::MolStandardize::TransformCatalogEntry
CRDCatalog::CatalogParams	Abstract base class for the container used to create a catalog
CRDKit::FilterCatalogParams
CRDKit::FragCatParams	Container for user parameters used to create a fragment catalog
CRDKit::MolCatalogParams	Container for user parameters used to create a mol catalog
CRDKit::MolStandardize::AcidBaseCatalogParams
CRDKit::MolStandardize::FragmentCatalogParams
CRDKit::MolStandardize::TautomerCatalogParams
CRDKit::MolStandardize::TransformCatalogParams
CRDKit::v2::CDXMLParser::CDXMLParserParams
CRDKit::MolStandardize::ChargeCorrection
CRDKit::StructureCheck::ChargeFix
CRDKit::charptr_functor	Functor for comparing two strings
CChemicalFeatures::ChemicalFeature	Abstract base class for chemical feature
CChemicalFeatures::FreeChemicalFeature
CRDKit::MolChemicalFeature
CRDKit::Canon::ChiralAtomCompareFunctor
CDistGeom::ChiralSet	Class used to store a quartet of points and chiral volume bounds on them
CDistGeom::ChiralViolationContribsParams
CRDKit::CIPLabeler::CIPMol
CRDKit::CIPLabeler::CIPMolSpan< T, U >::CIPMolIter
CRDKit::CIPLabeler::CIPMolSpan< T, U >
CRDKit::MolStandardize::CleanupParameters
CRDKit::RascalMCES::details::ClusNode
CRDKit::FMCS::Composition2N
CRDDepict::Compute2DCoordParameters
CRDKit::CIPLabeler::Configuration
CRDKit::CIPLabeler::AtropisomerBond
CRDKit::CIPLabeler::Sp2Bond
CRDKit::CIPLabeler::Tetrahedral
Cconrec::ConrecSegment
CRDKit::MolStandardize::TautomerEnumeratorResult::const_iterator
Cset< K >::const_iterator	STL iterator class
Cset< K >::const_reverse_iterator	STL iterator class
CRDKit::ConstBondIterator_	Const iterator for a molecule's bonds, currently BiDirectional, but it theoretically ought to be RandomAccess
CRDDepict::ConstrainedDepictionParams
CRDKit::MolDraw2DUtils::ContourParams
CRDKit::ControlCHandler
CRDDepict::CoordinateTemplates
CRDMIF::Coulomb	Class for calculation of electrostatic interaction (Coulomb energy) between probe and molecule in vacuum (no dielectric)
CRDMIF::CoulombDielectric	Class for calculation of electrostatic interaction (Coulomb energy) between probe and molecule by taking a distance-dependent dielectric into account:
CRDKit::Descriptors::CrippenParamCollection	Singleton class for retrieving Crippen parameters
CRDKit::Descriptors::CrippenParams	Class used to store Crippen parameters
CForceFields::CrystalFF::CrystalFFDetails
CRDKit::SubstanceGroup::CState
CRDKit::GaussianShape::CustomFeature
CRDKit::CustomPropHandler
CRDKit::DataStructsExplicitBitVecPropHandler
CRDKit::CXXAtomIterator< Graph, Vertex, Iterator, CheckedAtoms, CheckedBonds >::CXXAtomIter
CRDKit::CXXAtomIterator< Graph, Vertex, Iterator, CheckedAtoms, CheckedBonds >
CRDKit::CXXBondIterator< Graph, Edge, Iterator, Checked >::CXXBondIter
CRDKit::CXXBondIterator< Graph, Edge, Iterator, Checked >
CData3Ddescriptors
CRDKit::MMFF::Tools::DefaultTorsionBondSmarts
CRDKit::UFF::Tools::DefaultTorsionBondSmarts
CRDKit::Deprotect::DeprotectData
CRDKit::Dict	The Dict class can be used to store objects of arbitrary type keyed by strings
CRDKit::CIPLabeler::Digraph
CRDKit::DiscreteDistMat
CRDKit::DiscreteValueVect	Class for efficiently storing vectors of discrete values
CForceFields::DistanceConstraintContribsParams
CRDPickers::DistPicker	Abstract base class to do perform item picking (typically molecules) using a distance matrix
CRDPickers::HierarchicalClusterPicker	Diversity picker based on hierarchical clustering
CRDPickers::LeaderPicker	Implements the Leader algorithm for picking a subset of item from a pool
CRDPickers::MaxMinPicker	Implements the MaxMin algorithm for picking a subset of item from a pool
CDistGeom::DistViolationContribsParams
CRDKit::Descriptors::DoubleCubicLatticeVolume
CRDKit::MolDraw2D_detail::DrawAnnotation
CRDKit::DrawColour
CRDKit::MolDraw2D_detail::DrawMol
CRDKit::MolDraw2D_detail::DrawMolMCH
CRDKit::MolDraw2D_detail::DrawMolMCHCircleAndLine
CRDKit::MolDraw2D_detail::DrawMolMCHLasso
CRDKit::MolDraw2D_detail::DrawShape
CRDKit::MolDraw2D_detail::DrawShapeArc
CRDKit::MolDraw2D_detail::DrawShapeArrow
CRDKit::MolDraw2D_detail::DrawShapeDashedWedge
CRDKit::MolDraw2D_detail::DrawShapeEllipse
CRDKit::MolDraw2D_detail::DrawShapePolyLine
CRDKit::MolDraw2D_detail::DrawShapeSimpleLine
CRDKit::MolDraw2D_detail::DrawShapeSolidWedge
CRDKit::MolDraw2D_detail::DrawShapeWavyLine
CRDKit::MolDraw2D_detail::DrawText
CRDKit::MolDraw2D_detail::DrawTextFT
CRDKit::MolDraw2D_detail::DrawTextFTCairo
CRDKit::MolDraw2D_detail::DrawTextFTJS
CRDKit::MolDraw2D_detail::DrawTextFTQt
CRDKit::MolDraw2D_detail::DrawTextFTSVG
CRDKit::MolDraw2D_detail::DrawTextNotFT
CRDKit::MolDraw2D_detail::DrawTextCairo
CRDKit::MolDraw2D_detail::DrawTextJS
CRDKit::MolDraw2D_detail::DrawTextQt
CRDKit::MolDraw2D_detail::DrawTextSVG
CRDKit::FMCS::DuplicatedSeedCache
CRDKit::CIPLabeler::Edge
CRDDepict::EmbeddedAtom	Class that contains the data for an atoms that has already been embedded
CRDDepict::EmbeddedFrag	Class containing a fragment of a molecule that has already been embedded
CRDKit::DGeomHelpers::EmbedParameters	Parameter object for controlling embedding
Cboost::enable_shared_from_this
CRDKit::FilterMatcherBase
CRDKit::ExclusionList
CRDKit::FilterHierarchyMatcher
CRDKit::FilterMatchOps::And
CRDKit::FilterMatchOps::Not
CRDKit::FilterMatchOps::Or
CRDKit::SmartsMatcher
CRDKit::EnumerateLibraryBase
CRDKit::EnumerateLibrary	This is a class for running reactions on sets of reagents
CRDKit::EnumerationParams
CRDKit::EnumerationStrategyBase
CRDKit::CartesianProductStrategy
CRDKit::EvenSamplePairsStrategy	EvenSamplePairsStrategy
CRDKit::RandomSampleAllBBsStrategy
CRDKit::RandomSampleStrategy
Cstd::exception	STL class
CDatastructsException
CRDDepict::DepictException
CRDGeom::GridException
CRDKit::ChemicalReactionException	Used to indicate an error in the chemical reaction engine
CRDKit::ChemicalReactionParserException	Used to indicate an error in parsing reaction data
CRDKit::ConformerException	Used to indicate errors from incorrect conformer access
CRDKit::EnumerationStrategyException	Class for flagging enumeration strategy errors
CRDKit::FeatureFileParseException	Class used to indicate errors in parsing feature definition files
CRDKit::MolAlign::MolAlignException
CRDKit::MolPicklerException	Used to indicate exceptions whilst pickling (serializing) molecules
CRDKit::MolSanitizeException	Class for flagging sanitization errors
CRDKit::AtomSanitizeException
CRDKit::AtomKekulizeException
CRDKit::AtomValenceException
CRDKit::KekulizeException
CRDKit::ReactionPicklerException	Used to indicate exceptions whilst pickling (serializing) reactions
CRDKit::RxnSanitizeException	Class for flagging sanitization errors
CRDKit::SLNParseException
CRDKit::SmilesParse::SmilesParseException
CRDKit::UnimplementedFPException
CRDKit::v2::FileParsers::MolFileUnhandledFeatureException
Cstd::runtime_error	STL class
CIndexErrorException	Class to allow us to throw an IndexError from C++ and have it make it back to Python
CInvar::Invariant
CKeyErrorException	Class to allow us to throw a KeyError from C++ and have it make it back to Python
CRDKit::BadFileException	Used by various file parsing classes to indicate a bad file
CRDKit::CIPLabeler::MaxIterationsExceeded
CRDKit::CIPLabeler::TooManyNodesException
CRDKit::ControlCCaught
CRDKit::FileParseException	Used by various file parsing classes to indicate a parse error
CRDKit::MarvinWriterException
CRDKit::MaxFindBondOrdersItersExceeded
CRDKit::RigorousEnhancedStereoException
CRDKit::SubstanceGroupException	Used to indicate errors from incorrect sgroup access
CValueErrorException	Class to allow us to throw a ValueError from C++ and have it make it back to Python
CRDKit::FMCS::ExecStatistics
CRDFeatures::ExplicitFeature< FAMILYMARKER, TYPEMARKER, LOCTYPE >
CForceFields::CrystalFF::ExpTorsionAngle	A structure used to the experimental torsion patterns
CRDKit::ExtendedQueryMol
CRDKit::GeneralizedSubstruct::ExtendedQueryMol
CRDKit::FilterData_t
CRDKit::FilterMatch	Holds the atomPairs matched by the underlying matcher
CRDKit::FilterProperty_t
CRDKit::FingerprintArguments	Abstract base class that holds molecule independent arguments that are common amongst all fingerprint types and classes inherited from this would hold fingerprint type specific arguments
CRDKit::AtomPair::AtomPairArguments	Class that holds atom-pair fingerprint specific arguments
CRDKit::MorganFingerprint::MorganArguments	Class for holding Morgan fingerprint specific arguments
CRDKit::RDKitFP::RDKitFPArguments
CRDKit::TopologicalTorsion::TopologicalTorsionArguments
CRDKit::FingerprintFuncArguments	Struct that makes calling the fingerprint generation functions easier
CRDKit::FingerprintVarianceScoreData
CRDKit::EnumerateStereoisomers::details::Flipper
CRDKit::EnumerateStereoisomers::details::AtomFlipper
CRDKit::EnumerateStereoisomers::details::AtropisomerFlipper
CRDKit::EnumerateStereoisomers::details::BondFlipper
CRDKit::EnumerateStereoisomers::details::StereoGroupFlipper
CForceFields::ForceField	A class to store forcefields and handle minimization
CForceFields::ForceFieldContrib	Abstract base class for contributions to ForceFields
CDistGeom::ChiralViolationContribs
CDistGeom::DistViolationContribs
CDistGeom::FourthDimContribs
CForceFields::AngleConstraintContrib	An angle range constraint modelled after a AngleBendContrib
CForceFields::AngleConstraintContribs	A term to capture all flat bottom angle constraint potentials
CForceFields::CrystalFF::GaussianTorsionAngleContribs
CForceFields::CrystalFF::PlanarityContribs	A term to capture all Inversion Contributionss
CForceFields::CrystalFF::TorsionAngleContribM6	Torsion term for multiplicity m = 1 - 6
CForceFields::CrystalFF::TorsionAngleContribs
CForceFields::DistanceConstraintContrib	A distance range constraint modelled after a BondStretchContrib
CForceFields::DistanceConstraintContribs	A term to capture all flat bottom distance constraint potentials
CForceFields::MMFF::AngleBendContrib	The angle-bend term for MMFF
CForceFields::MMFF::BondStretchContrib	The bond-stretch term for MMFF
CForceFields::MMFF::EleContrib	Electrostatic term for MMFF
CForceFields::MMFF::NonbondedContrib	Combined vdW and charge terms for MMFF
CForceFields::MMFF::OopBendContrib	Out-of-plane term for MMFF
CForceFields::MMFF::StretchBendContrib	The angle-bend term for MMFF
CForceFields::MMFF::TorsionAngleContrib	Torsion term for MMFF
CForceFields::MMFF::VdWContrib	Van der Waals term for MMFF
CForceFields::PositionConstraintContrib	A position constraint of the type 0.5k * deltaX^2
CForceFields::TorsionConstraintContrib	A dihedral angle range constraint modelled after a TorsionContrib
CForceFields::UFF::AngleBendContrib	The angle-bend term for the Universal Force Field
CForceFields::UFF::BondStretchContrib	The bond-stretch term for the Universal Force Field
CForceFields::UFF::InversionContrib	The inversion term for the Universal Force Field
CForceFields::UFF::InversionContribs	A term to capture all Inversion Contributionss
CForceFields::UFF::TorsionAngleContrib	Torsion term for the Universal Force Field
CForceFields::UFF::vdWContrib	Van der Waals term for the Universal Force Field
CRDKit::v2::FileParsers::ForwardSupplierIter< Supplier >
CDistGeom::FourthDimContribsParams
CRDKit::FPBReader	Class for reading and searching FPB files
CRDKit::FPHolderBase	Base FPI for the fingerprinter used to rule out impossible matches
CRDKit::PatternHolder
CRDKit::TautomerPatternHolder
CRDKit::CIPLabeler::FractionalAtomicNum
CRDKit::FragCatGenerator
CRDKit::FragFPGenerator
CRDKit::MolFragmenter::FragmenterBondType
CRDKit::MolStandardize::FragmentRemover
CGaBase
CRDKit::RGroupGa
CRDKit::GaResult
CRDKit::GasteigerParams
CForceFields::CrystalFF::GaussianExpTorsionAngle
CForceFields::CrystalFF::GaussianTorsionAngleContribsParams
CGraph_t
CRDKit::FMCS::Graph
CRDGeom::Grid3D< VectorType, ValueType1, ValueType2 >	Virtual base class for a grid object
CRDGeom::Grid3D< RDKit::DiscreteValueVect, int, unsigned int >
CRDGeom::UniformGrid3D
CRDGeom::Grid3D< RDKit::RealValueVect, double, double >
CRDGeom::UniformRealValueGrid3D
CRDDepict::gtIIPair
CRDKit::SynthonSpaceSearch::hash_address_pair
CRDKit::FMCS::SubstructureCache::HashKey
CRDKit::HasPropWithValueQueryBase
CRDKit::HasPropWithValueQuery< TargetPtr, ExplicitBitVect >
CRDKit::HasPropWithValueQuery< TargetPtr, std::string >
CRDKit::HasPropWithValueQuery< TargetPtr, T >
CRDKit::HasPropWithValueQuery< TargetPtr, ExplicitBitVect >
CRDKit::HasPropWithValueQuery< TargetPtr, std::string >
CRDMIF::HBond	Class for calculation of hydrogen bond potential between probe and molecule
CRDKit::HeteroatomIterator_< Atom_, Mol_ >	Iterate over heteroatoms, this is bidirectional
CRDKit::MolOps::Hybridizations
CRDMIF::Hydrophilic	Class for calculation of hydrophilic field of molecule
CRDFeatures::ImplicitFeature< FAMILYMARKER, TYPEMARKER, LOCTYPE >
CRDKit::StructureCheck::IncEntry
CRDInfoTheory::InfoBitRanker
CQueries::Int2Type< v >	Class to allow integer values to pick templates
CIntegerStringChromosome
CRDKit::RGroupDecompositionChromosome
CDistGeom::ZMatrix::InternalCoordinateReference
CRDKit::DGeomHelpers::InternalCoordinates
CForceFields::UFF::InversionContribsParams
Cstd::ios_base	STL class
Cstd::basic_ios< Char >	STL class
Cstd::basic_istream< Char >	STL class
Cstd::istream	STL class
Cboost_adaptbx::python::streambuf::istream
Cboost_adaptbx::python::streambuf::istream
Cstd::basic_ostream< Char >	STL class
Cstd::ostream	STL class
Cboost_adaptbx::python::streambuf::ostream
Cboost_adaptbx::python::ostream
Cboost_adaptbx::python::ostream
Cboost_adaptbx::python::streambuf::ostream
CDistGeom::ZMatrix::Iterator
Cset< K >::iterator	STL iterator class
CRDKit::MolInterchange::JSONParseParameters
CRDKit::MolInterchange::JSONWriteParameters
CRDKit::KeyHolderBase
CRDKit::KeyFromPropHolder
CRDKit::FMCS::SubstructureCache::KeyNumericMetrics
CRDKit::MolAlign::LAP
CRDKit::larger_of< T >	Functor for returning the larger of two values
CRDKit::MolStandardize::LargestFragmentChooser::Largest
CRDKit::MolStandardize::LargestFragmentChooser
CRDPickers::LeaderPickerState< T >
CRDKit::StructureCheck::Ligand
CRDKit::MolDraw2D_detail::LinePair
CRDKit::MolEnumerator::LinkNode
CRDKit::Utils::LocaleSwitcher
CRDKit::ltDouble	Functor to compare two doubles with a tolerance
CRDKit::MacroAtomInfo	Captures atom-level information for macro atoms
CRDKit::MacroBondInfo	Captures bond-level information for macro bonds
CRDKit::MacroMolLeavingGroup	Describes the atoms removed at one MacroMol template attachment point
CRDKit::MacroMolTemplate
CRDKit::MacroMolTemplateBuilder	Collects and validates the pieces needed to create a MacroMolTemplate
CRDKit::MacroMolTemplateLibrary
Cbetter_enums::map< Enum, T, Compare >
Cbetter_enums::map_compare< T >
Cbetter_enums::map_compare< const char * >
Cbetter_enums::map_compare< const wchar_t * >
CRDKit::MarvinArrow
CRDKit::MarvinAtom
CRDKit::MarvinAttachmentPoint
CRDKit::MarvinBond
CRDKit::MarvinBondStereo
CRDKit::MarvinCondition
CRDKit::MarvinMolBase
CRDKit::MarvinDataSgroup
CRDKit::MarvinGenericSgroup
CRDKit::MarvinMol
CRDKit::MarvinMonomerSgroup
CRDKit::MarvinMulticenterSgroup
CRDKit::MarvinMultipleSgroup
CRDKit::MarvinSruCoModSgroup
CRDKit::MarvinSuperatomSgroup
CRDKit::MarvinSuperatomSgroupExpanded
CRDKit::MarvinPlus
CRDKit::MarvinReaction
CRDKit::MarvinRectangle
CRDKit::MarvinStereoGroup
CRDKit::MatchingAtomIterator_< Atom_, Mol_ >	Iterate over atoms matching a query function. This is bidirectional
CRDNumeric::Matrix< TYPE >	A matrix class for general, non-square matrices
CRDNumeric::SquareMatrix< TYPE >
CRDNumeric::Matrix< double >
CRDNumeric::SquareMatrix< double >
CDistGeom::BoundsMatrix	Class to store the distance bound
CRDGeom::Transform2D
CRDGeom::Transform3D
CRDKit::FMCS::MaximumCommonSubgraph
CRDPickers::MaxMinPickInfo
CRDKit::MCSAtomCompareParameters
CRDKit::MCSBondCompareParameters
CRDKit::MCSParameters
CRDKit::detail::MCSParametersInternal
CRDKit::MCSProgressData
CRDKit::MCSResult
CRDKit::SynthonSpaceSearch::details::MemoryMappedFileReader
CRDKit::MolStandardize::MetalDisconnector
CRDKit::MolStandardize::MetalDisconnectorOptions
CRDDataManip::MetricMatrixCalc< vectType, entryType >	A generic metric matrix calculator (e.g similarity matrix or distance matrix)
CRDKit::MHFPFingerprints::MHFPEncoder
CForceFields::MMFF::MMFFAngle	Class to store MMFF parameters for angle bending
CForceFields::MMFF::MMFFAngleCollection
CForceFields::MMFF::MMFFAromCollection
CRDKit::MMFF::MMFFAtomProperties
CForceFields::MMFF::MMFFBndkCollection
CForceFields::MMFF::MMFFBond	Class to store MMFF parameters for bond stretching
CForceFields::MMFF::MMFFBondCollection
CForceFields::MMFF::MMFFChg
CForceFields::MMFF::MMFFChgCollection
CForceFields::MMFF::MMFFCovRadPauEle
CForceFields::MMFF::MMFFCovRadPauEleCollection
CForceFields::MMFF::MMFFDef	Class to store MMFF atom type equivalence levels
CForceFields::MMFF::MMFFDefCollection
CForceFields::MMFF::MMFFDfsbCollection
CForceFields::MMFF::MMFFHerschbachLaurie
CForceFields::MMFF::MMFFHerschbachLaurieCollection
CRDKit::MMFF::MMFFMolProperties
CForceFields::MMFF::MMFFOop	Class to store MMFF parameters for out-of-plane bending
CForceFields::MMFF::MMFFOopCollection
CForceFields::MMFF::MMFFPBCI	Class to store MMFF Partial Bond Charge Increments
CForceFields::MMFF::MMFFPBCICollection
CForceFields::MMFF::MMFFProp	Class to store MMFF Properties
CForceFields::MMFF::MMFFPropCollection
CForceFields::MMFF::MMFFStbn	Class to store MMFF parameters for stretch-bending
CForceFields::MMFF::MMFFStbnCollection
CForceFields::MMFF::MMFFTor	Class to store MMFF parameters for torsions
CForceFields::MMFF::MMFFTorCollection
CForceFields::MMFF::MMFFVdW	Class to store MMFF parameters for non-bonded Van der Waals
CForceFields::MMFF::MMFFVdWCollection
CForceFields::MMFF::MMFFVdWRijstarEps
CRDKit::v2::FileParsers::Mol2ParserParams
CRDKit::MolChemicalFeatureDef
CRDKit::MolChemicalFeatureFactory	The class for finding chemical features in molecules
CMolData3Ddescriptors
CRDKit::MolDraw2D	MolDraw2D is the base class for doing 2D renderings of molecules
CRDKit::MolDraw2DCairo
CRDKit::MolDraw2DJS
CRDKit::MolDraw2DQt
CRDKit::MolDraw2DSVG
CRDKit::MolDraw2Dwx
CRDKit::MolDrawOptions
CRDKit::MolEnumerator::MolEnumeratorOp	Abstract base class for the a molecule enumeration operation
CRDKit::MolEnumerator::LinkNodeOp	Molecule enumeration operation corresponding to LINKNODES
CRDKit::MolEnumerator::PositionVariationOp	Molecule enumeration operation corresponding to position variation bonds
CRDKit::MolEnumerator::RepeatUnitOp	Molecule enumeration operation corresponding to SRUs
CRDKit::MolEnumerator::MolEnumeratorParams	Parameters used to control the molecule enumeration
CRDKit::v2::FileParsers::MolFileParserParams
CRDKit::FMCS::MolFragment
CRDKit::v2::FileParsers::MolFromSCSRParams
CRDKit::MolAlign::MolHistogram
CRDKit::MolHolderBase	Base class API for holding molecules to substructure search
CRDKit::CachedMolHolder	Concrete class that holds binary cached molecules in memory
CRDKit::CachedSmilesMolHolder	Concrete class that holds smiles strings in memory
CRDKit::CachedTrustedSmilesMolHolder	Concrete class that holds trusted smiles strings in memory
CRDKit::MolHolder	Concrete class that holds molecules in memory
CRDKit::MolMatchFinalCheckFunctor
CRDKit::MolPickler	Handles pickling (serializing) molecules
CRDKit::Canon::MolStackElem	These are the actual elements in the molecular stack
CRDKit::Canon::MolStackUnion	Used to store components in the molecular stack
CRDKit::MolSupplier
CRDKit::v1::ForwardSDMolSupplier
CRDKit::v1::SDMolSupplier
CRDKit::v1::SmilesMolSupplier	Lazy file parser for Smiles tables
CRDKit::v1::TDTMolSupplier	Lazy file parser for TDT files
CRDKit::v1::MolSupplier
CRDKit::v1::ForwardSDMolSupplier
CRDKit::v1::SmilesMolSupplier	Lazy file parser for Smiles tables
CRDKit::v1::TDTMolSupplier	Lazy file parser for TDT files
CRDKit::v2::FileParsers::MolSupplier
CRDKit::v2::FileParsers::ForwardSDMolSupplier
CRDKit::v2::FileParsers::SDMolSupplier
CRDKit::v2::FileParsers::SmilesMolSupplier	Lazy file parser for Smiles tables
CRDKit::v2::FileParsers::TDTMolSupplier	Lazy file parser for TDT files
CRDKit::MolWriter
CRDKit::PDBWriter
CRDKit::SDWriter
CRDKit::SmilesWriter
CRDKit::TDTWriter
CRDKit::MolWriterParams
CRDKit::MolzipParams
CRDKit::v2::MarvinParser::MrvParserParams
CRDKit::MrvWriterParams
CRDKit::MultiFPBReader	Class for reading and searching multiple FPB files
CRDKit::StructureCheck::Neighbourhood
CRDKit::ScaffoldNetwork::NetworkEdge
CRDKit::FMCS::NewBond
CRDKit::CIPLabeler::Node
Cboost::noncopyable
CRDKit::AtomEnvironmentGenerator< std::uint64_t >
CRDKit::FingerprintGenerator< std::uint64_t >
CRDKit::AtomEnvironment< OutputType >	Abstract base class that holds atom-environments that will be hashed to generate the fingerprint
CRDKit::AtomPair::AtomPairAtomEnv< OutputType >	Class that holds atom-environment data needed for atom-pair fingerprint generation
CRDKit::MorganFingerprint::MorganAtomEnv< OutputType >	Class for holding the bit-id created from Morgan fingerprint environments and the additional data necessary extra outputs
CRDKit::RDKitFP::RDKitFPAtomEnv< OutputType >
CRDKit::TopologicalTorsion::TopologicalTorsionAtomEnv< OutputType >
CRDKit::AtomEnvironmentGenerator< OutputType >	Abstract base class that generates atom-environments from a molecule
CRDKit::AtomPair::AtomPairEnvGenerator< OutputType >	Class that generates atom-environments for atom-pair fingerprint
CRDKit::MorganFingerprint::MorganEnvGenerator< OutputType >	Class that generates atom environments for Morgan fingerprint
CRDKit::RDKitFP::RDKitFPEnvGenerator< OutputType >
CRDKit::TopologicalTorsion::TopologicalTorsionEnvGenerator< OutputType >
CRDKit::AtomInvariantsGenerator	Abstract base class for atom invariants generators
CRDKit::AtomPair::AtomPairAtomInvGenerator
CRDKit::MorganFingerprint::MorganAtomInvGenerator	Default atom invariants generator for Morgan fingerprint, generates ECFP-type invariants
CRDKit::MorganFingerprint::MorganFeatureAtomInvGenerator	Alternative atom invariants generator for Morgan fingerprint, generate FCFP-type invariants
CRDKit::RDKitFP::RDKitFPAtomInvGenerator
CRDKit::BondInvariantsGenerator	Abstract base class for bond invariants generators
CRDKit::MorganFingerprint::MorganBondInvGenerator	Bond invariants generator for Morgan fingerprint
CRDKit::FingerprintGenerator< OutputType >	Class that generates same fingerprint style for different output formats
CRDLog::CaptureLog
CRDLog::CaptureErrorLog	Convenience subclass of CaptureLog that captures rdErrorLog
CRDLog::LogStateSetter
CRDKit::MolStandardize::Normalizer	For applying Normalization transforms
CRDKit::MolAlign::O3A
CRDKit::MolAlign::O3AConstraint
CRDKit::MolAlign::O3AConstraintVect
CRDKit::MolAlign::O3AFuncData
Cbetter_enums::optional< T >
CRDKit::Dict::Pair
CRDKit::PairHolder
CRDKit::CIPLabeler::PairList
CForceFields::UFF::ParamCollection	Singleton class for retrieving UFF AtomParams
CForceFields::CrystalFF::ETKDGForceConsts::Params
CRDKit::RascalMCES::PartitionSet
CRDKit::DGeomHelpers::Path14Configuration	A structure used to store planar 14 paths - cis/trans
CRDKit::StructureCheck::PathEntry
CRDKit::v1::PDBParserParams
CRDKit::v2::FileParsers::PDBParserParams
CRDKit::PeriodicTable	Singleton class for retrieving information about atoms
CRDKit::MolStandardize::Pipeline
CRDKit::MolStandardize::PipelineLogEntry
CRDKit::MolStandardize::PipelineOptions
CRDKit::MolStandardize::PipelineResult
CForceFields::CrystalFF::PlanarityContribsParams
CRDKit::PNGMetadataParams
CRDGeom::Point
CRDGeom::Point2D
CRDGeom::Point3D
CRDGeom::PointND
CRDKit::CIPLabeler::Priority
CRDKit::ProgressBar
CRDKit::Descriptors::Properties	Holds a collection of properties for computation purposes
CRDKit::Descriptors::PropertyFunctor
CPySequenceHolder< T >	Class to hold sequences (lists, tuples, arrays, etc.) passed from Python -> C++
CQueries::Query< MatchFuncArgType, DataFuncArgType, needsConversion >	Base class for all queries
CQueries::AndQuery< int, const ROMol &, true >
CQueries::AndQuery< int, Atom const *, true >
CQueries::AndQuery< int, Bond const *, true >
CQueries::EqualityQuery< double, const ROMol &, true >
CQueries::EqualityQuery< int, Atom const *, true >
CQueries::EqualityQuery< int, Bond const *, true >
CQueries::OrQuery< int, const ROMol &, true >
CQueries::OrQuery< int, Atom const *, true >
CQueries::OrQuery< int, Bond const *, true >
CQueries::RangeQuery< double, const ROMol &, true >
CQueries::RangeQuery< int, Atom const *, true >
CQueries::RangeQuery< int, Bond const *, true >
CQueries::SetQuery< int, Atom const *, true >
CRDKit::RecursiveStructureQuery	Allows use of recursive structure queries (e.g. recursive SMARTS)
CQueries::SetQuery< int, Bond const *, true >
CQueries::XOrQuery< int, const ROMol &, true >
CQueries::XOrQuery< int, Atom const *, true >
CQueries::XOrQuery< int, Bond const *, true >
CQueries::Query< int, ConstAtomPtr, needsConversion >
CQueries::EqualityQuery< int, ConstAtomPtr, true >
CRDKit::AtomRingQuery
CQueries::Query< int, TargetPtr, needsConversion >
CQueries::EqualityQuery< int, TargetPtr, true >
CRDKit::HasPropWithValueQuery< TargetPtr, ExplicitBitVect >
CRDKit::HasPropWithValueQuery< TargetPtr, std::string >
CRDKit::HasPropQuery< TargetPtr >
CRDKit::HasPropWithValueQuery< TargetPtr, T >
CRDKit::HasPropWithValueQuery< TargetPtr, ExplicitBitVect >
CRDKit::HasPropWithValueQuery< TargetPtr, std::string >
CQueries::Query< MatchFuncArgType, MatchFuncArgType, false >
CQueries::AndQuery< MatchFuncArgType, DataFuncArgType, needsConversion >	Query implementing AND: requires all children to be true
CQueries::EqualityQuery< MatchFuncArgType, DataFuncArgType, needsConversion >	Query implementing ==: arguments must match a particular value (within an optional tolerance)
CQueries::GreaterEqualQuery< double, const ROMol &, true >
CQueries::GreaterEqualQuery< int, Atom const *, true >
CQueries::GreaterEqualQuery< int, Bond const *, true >
CQueries::GreaterQuery< double, const ROMol &, true >
CQueries::GreaterQuery< int, Atom const *, true >
CQueries::GreaterQuery< int, Bond const *, true >
CQueries::LessEqualQuery< double, const ROMol &, true >
CQueries::LessEqualQuery< int, Atom const *, true >
CQueries::LessEqualQuery< int, Bond const *, true >
CQueries::LessQuery< double, const ROMol &, true >
CQueries::LessQuery< int, Atom const *, true >
CQueries::LessQuery< int, Bond const *, true >
CQueries::OrQuery< MatchFuncArgType, DataFuncArgType, needsConversion >	Query implementing AND: requires any child to be true
CQueries::RangeQuery< MatchFuncArgType, DataFuncArgType, needsConversion >	Query implementing a range: arguments must fall in a particular range of values
CQueries::SetQuery< MatchFuncArgType, DataFuncArgType, needsConversion >	Query implementing a set: arguments must one of a set of values
CQueries::XOrQuery< MatchFuncArgType, DataFuncArgType, needsConversion >	Query implementing XOR: requires exactly one child to be true
CQueries::Query< MatchFuncArgType, MatchFuncArgType, needsConversion >
CQueries::EqualityQuery< MatchFuncArgType, MatchFuncArgType, false >
CQueries::GreaterEqualQuery< MatchFuncArgType, DataFuncArgType, needsConversion >	Query implementing >= using a particular value (and an optional tolerance)
CQueries::GreaterQuery< MatchFuncArgType, DataFuncArgType, needsConversion >	Query implementing > using a particular value (and an optional tolerance)
CQueries::LessEqualQuery< MatchFuncArgType, DataFuncArgType, needsConversion >	Query implementing <= using a particular value (and an optional tolerance)
CQueries::LessQuery< MatchFuncArgType, DataFuncArgType, needsConversion >	Query implementing < using a particular value (and an optional tolerance)
CRDKit::QueryAtomIterator_< Atom_, Mol_ >	Iterate over atoms matching a query. This is bidirectional
CRDKit::v2::FileParsers::RandomAccessSupplierIter< Supplier >
CRDKit::RascalMCES::RascalClusterOptions
CRDKit::RascalMCES::RascalOptions
CRDKit::RascalMCES::RascalResult
CRDKit::RCore	RCore is the core common to a series of molecules
CRDKit::RDAny
Cboost::logging::rdLogger
CRDKit::RDProps
CRDKit::Atom	The class for representing atoms
CRDKit::QueryAtom	Class for storing atomic queries
CRDKit::Bond	Class for representing a bond
CRDKit::QueryBond	Class for storing Bond queries
CRDKit::ChemicalReaction	This is a class for storing and applying general chemical reactions
CRDKit::Conformer	The class for representing 2D or 3D conformation of a molecule
CRDKit::MolBundle	MolBundle contains a collection of related ROMols
CRDKit::FixedMolSizeMolBundle
CRDKit::ROMol
CRDKit::RWMol	RWMol is a molecule class that is intended to be edited
CRDKit::MacroMol
CRDKit::SubstanceGroup	The class for representing SubstanceGroups
CRDKit::RDValue
CRDKit::ReactionFingerprintParams
CRDKit::ReactionPickler	Handles pickling (serializing) reactions
CRDKit::v2::ReactionParser::ReactionSmartsParserParams
CRDKit::RealValueVect
CRDKit::detail::RecursiveLocker
CRDKit::MolStandardize::Reionizer
CRDKit::MolOps::RemoveHsParameters
CRDKit::ResonanceMolSupplier
CRDKit::ResonanceMolSupplierCallback
Cset< K >::reverse_iterator	STL iterator class
CRDKit::RGroupData	A single rgroup attached to a given core
CRDKit::RGroupDecompData
CRDKit::RGroupDecomposition
CRDKit::RGroupDecompositionParameters
CRDKit::RGroupDecompositionProcessResult
CRDKit::RGroupMatch	RGroupMatch is the decomposition for a single molecule
CRDKit::RGroupScorer
CRDKit::RingInfo
CRDKit::SynthonSpaceSearch::SampleMolRec
CRDKit::ScaffoldNetwork::ScaffoldNetwork
CRDKit::ScaffoldNetwork::ScaffoldNetworkParams
CRDKit::MolAlign::SDM
CRDKit::SynthonSpaceSearch::SearchResults
CRDKit::FMCS::Seed
CRDKit::FMCS::SeedSet
CRDKit::CIPLabeler::SequenceRule
CRDKit::CIPLabeler::Rule1a
CRDKit::CIPLabeler::Rule1b
CRDKit::CIPLabeler::Rule2
CRDKit::CIPLabeler::Rule3
CRDKit::CIPLabeler::Rule4a
CRDKit::CIPLabeler::Rule4b
CRDKit::CIPLabeler::Rule4c
CRDKit::CIPLabeler::Rule5
CRDKit::CIPLabeler::Rule5New
CRDKit::CIPLabeler::Rule6
CRDKit::CIPLabeler::Rules
Cset< K >	STL class
CRDKit::MolDraw2D_detail::SGroupDataLabel	Holds the text and position of a DAT SGroup label
CRDKit::SynthonSpaceSearch::ShapeBuildParams
CRDKit::GaussianShape::ShapeInput
CRDKit::GaussianShape::ShapeInputOptions
CRDKit::GaussianShape::ShapeOverlayOptions
CRDKit::GaussianShape::SingleConformerAlignment
CRDKit::SmartsParserParams
CRDKit::v1::SmartsParserParams
CRDKit::v2::SmilesParse::SmartsParserParams
CRDKit::v2::FileParsers::SmilesMolSupplierParams
CRDKit::SmilesParserParams
CRDKit::v1::SmilesParserParams
CRDKit::v2::SmilesParse::SmilesParserParams
CRDKit::SmilesWriteParams
CRDKit::Snapshot
CRDKit::CIPLabeler::Sort
CRDKit::SparseIntVect< IndexType >	Class for efficiently storing sparse vectors of ints
CRDKit::Canon::SpecialChiralityAtomCompareFunctor
CRDKit::Canon::SpecialSymmetryAtomCompareFunctor
CRDKit::MorganFingerprints::ss_matcher
CRDKit::SynthonSpaceSearch::details::Stepper
CRDKit::StereoBondThresholds
CRDKit::EnumerateStereoisomers::StereoEnumerationOptions
CRDKit::StereoGroup
CRDKit::Chirality::StereoInfo
CRDKit::EnumerateStereoisomers::StereoisomerEnumerator
Cboost_adaptbx::python::streambuf_capsule
Cboost_adaptbx::python::ostream
Cboost_adaptbx::python::ostream
CRDKit::MolDraw2D_detail::StringRect
CRDKit::StructureCheck::StructChecker	Class for performing structure validation and cleanup
CRDKit::StructureCheck::StructCheckerOptions
CRDKit::StructureCheck::StructCheckTautomer
CRDKit::SubsetInfo
CRDKit::SubsetOptions	Subsetting Options for copyMolSubset
CRDKit::SubstructLibrary	Substructure Search a library of molecules
CRDKit::SubstructMatchParameters
CRDKit::MolStandardize::TautomerScoringFunctions::SubstructTerm
CRDKit::FMCS::SubstructureCache
CRDKit::GeneralMolSupplier::SupplierOptions
CRDNumeric::SymmMatrix< TYPE >	A symmetric matrix class
CRDKit::SynthonSpaceSearch::Synthon
CRDKit::SynthonSpaceSearch::SynthonSet
CRDKit::SynthonSpaceSearch::SynthonShapeInput
CRDKit::SynthonSpaceSearch::SynthonSpace
CRDKit::SynthonSpaceSearch::SynthonSpaceHitSet
CRDKit::SynthonSpaceSearch::SynthonSpaceFPHitSet
CRDKit::SynthonSpaceSearch::SynthonSpaceShapeHitSet
CRDKit::SynthonSpaceSearch::SynthonSpaceSearcher
CRDKit::SynthonSpaceSearch::SynthonSpaceFingerprintSearcher
CRDKit::SynthonSpaceSearch::SynthonSpaceRascalSearcher
CRDKit::SynthonSpaceSearch::SynthonSpaceShapeSearcher
CRDKit::SynthonSpaceSearch::SynthonSpaceSubstructureSearcher
CRDKit::SynthonSpaceSearch::SynthonSpaceSearchParams
CRDKit::FMCS::Target
CRDKit::FMCS::TargetMatch
CRDKit::FMCS::TArray2D< T >
CRDKit::MolStandardize::Tautomer
CRDKit::MolStandardize::TautomerEnumerator
CRDKit::MolStandardize::TautomerEnumeratorCallback
CRDKit::MolStandardize::TautomerEnumeratorResult	Contains results of tautomer enumeration
CRDKit::TautomerQuery
CRDKit::MolStandardize::TautomerTransform
CRDKit::v2::FileParsers::TDTMolSupplierParams
CRDKit::FMCS::DuplicatedSeedCache::TKey
CForceFields::CrystalFF::TorsionAngleContribsParams
CDistGeom::ZMatrix::TorsionDependence
CDistGeom::TorsionRange
CRDKit::DGeomHelpers::TorsionValue
CDistGeom::TorsionValues
Cconrec::tplHash
CRDKit::v2::FileParsers::TPLParserParams
CRDKit::Trajectory
CTs...
CDistGeom::overloaded< Ts >
Ctype_caster< boost::shared_ptr< T > >
CForceFields::UFF::UFFAngle	Class to store UFF parameters for angle bending
CForceFields::UFF::UFFBond	Class to store UFF parameters for bond stretching
CForceFields::UFF::UFFInv	Class to store UFF parameters for inversions
CForceFields::UFF::UFFTor	Class to store UFF parameters for torsions
CForceFields::UFF::UFFVdW	Class to store UFF parameters for van der Waals interactions
CRDKit::MolStandardize::Uncharger	For neutralizing ionized acids and bases
CRDKit::UsedLabelMap
CRDKit::RGroupDecompData::UsedLabels
CRDKit::MolStandardize::ValidationMethod
CRDKit::MolStandardize::AllowedAtomsValidation
CRDKit::MolStandardize::CompositeValidation	Simple way to apply a collection of
CRDKit::MolStandardize::MolVSValidation
CRDKit::MolStandardize::DisallowedAtomsValidation
CRDKit::MolStandardize::DisallowedRadicalValidation
CRDKit::MolStandardize::FeaturesValidation
CRDKit::MolStandardize::FragmentValidation	Logs if certain fragments are present
CRDKit::MolStandardize::Is2DValidation
CRDKit::MolStandardize::IsotopeValidation	Logs if molecule contains isotopes
CRDKit::MolStandardize::Layout2DValidation
CRDKit::MolStandardize::NeutralValidation	Logs if not an overall neutral system
CRDKit::MolStandardize::NoAtomValidation	MolVS Validations
CRDKit::MolStandardize::RDKitValidation
CRDKit::MolStandardize::StereoValidation
CRDKit::RDTypeTag::detail::Value
CRDKit::VarianceDataForLabel
CRDMIF::VdWaals	Abstract class for calculation of Van der Waals interaction between probe and molecule at gridpoint pt
CRDMIF::MMFFVdWaals
CRDMIF::UFFVdWaals
CRDNumeric::Vector< TYPE >	A class to represent vectors of numbers
CRDCatalog::HierarchCatalog< entryType, paramType, orderType >::vertex_entry_t	Used by the BGL to set up the node properties in our graph
CRDKit::Chirality::WedgeInfoBase
CRDKit::Chirality::WedgeInfoAtropisomer
CRDKit::Chirality::WedgeInfoChiral
CDistGeom::ZMatrix
CDistGeom::ZMatrix::ZMatrixRow