Class List

Here are the classes, structs, unions and interfaces with brief descriptions:

[detail level 1234]

Nbetter_enums
Coptional
C_eat_assign	Get intrinsic value of an (Enum::value) by taking advantage of
C_iterable
C_initialize_at_program_start
Cmap_compare
Cmap_compare< const char * >
Cmap_compare< const wchar_t * >
Cmap
Nboost
Nlogging
CrdLogger
Nboost_adaptbx
Npython
Cstreambuf	A stream buffer getting data from and putting data into a Python file object
Cistream
Costream
Cstreambuf_capsule
Costream
NChemicalFeatures
CChemicalFeature	Abstract base class for chemical feature
CFreeChemicalFeature
Nconrec
CConrecSegment
CtplHash
NDistGeom
CBoundsMatrix	Class to store the distance bound
CChiralSet	Class used to store a quartet of points and chiral volume bounds on them
CChiralViolationContribsParams
CChiralViolationContribs
CDistViolationContribsParams
CDistViolationContribs
CFourthDimContribsParams
CFourthDimContribs
CZMatrix
CInternalCoordinateReference
CTorsionDependence
CZMatrixRow
CIterator
Coverloaded
CTorsionRange
CTorsionValues
NForceFields
NCrystalFF
NETKDGForceConsts
CParams
CGaussianTorsionAngleContribsParams
CGaussianTorsionAngleContribs
CPlanarityContribsParams
CPlanarityContribs	A term to capture all Inversion Contributionss
CTorsionAngleContribsParams
CTorsionAngleContribs
CTorsionAngleContribM6	Torsion term for multiplicity m = 1 - 6
CExpTorsionAngle	A structure used to the experimental torsion patterns
CGaussianExpTorsionAngle
CCrystalFFDetails
NUFF
CAngleBendContrib	The angle-bend term for the Universal Force Field
CBondStretchContrib	The bond-stretch term for the Universal Force Field
CInversionContrib	The inversion term for the Universal Force Field
CInversionContribsParams
CInversionContribs	A term to capture all Inversion Contributionss
CvdWContrib	Van der Waals term for the Universal Force Field
CUFFBond	Class to store UFF parameters for bond stretching
CUFFAngle	Class to store UFF parameters for angle bending
CUFFTor	Class to store UFF parameters for torsions
CUFFInv	Class to store UFF parameters for inversions
CUFFVdW	Class to store UFF parameters for van der Waals interactions
CAtomicParams	Class to store atomic parameters for the Universal Force Field
CParamCollection	Singleton class for retrieving UFF AtomParams
CTorsionAngleContrib	Torsion term for the Universal Force Field
NMMFF
CAngleBendContrib	The angle-bend term for MMFF
CBondStretchContrib	The bond-stretch term for MMFF
CNonbondedContrib	Combined vdW and charge terms for MMFF
CVdWContrib	Van der Waals term for MMFF
CEleContrib	Electrostatic term for MMFF
COopBendContrib	Out-of-plane term for MMFF
CMMFFDef	Class to store MMFF atom type equivalence levels
CMMFFProp	Class to store MMFF Properties
CMMFFPBCI	Class to store MMFF Partial Bond Charge Increments
CMMFFChg
CMMFFBond	Class to store MMFF parameters for bond stretching
CMMFFHerschbachLaurie
CMMFFCovRadPauEle
CMMFFAngle	Class to store MMFF parameters for angle bending
CMMFFStbn	Class to store MMFF parameters for stretch-bending
CMMFFOop	Class to store MMFF parameters for out-of-plane bending
CMMFFTor	Class to store MMFF parameters for torsions
CMMFFVdW	Class to store MMFF parameters for non-bonded Van der Waals
CMMFFVdWRijstarEps
CMMFFAromCollection
CMMFFDefCollection
CMMFFPropCollection
CMMFFPBCICollection
CMMFFChgCollection
CMMFFBondCollection
CMMFFBndkCollection
CMMFFHerschbachLaurieCollection
CMMFFCovRadPauEleCollection
CMMFFAngleCollection
CMMFFStbnCollection
CMMFFDfsbCollection
CMMFFOopCollection
CMMFFTorCollection
CMMFFVdWCollection
CStretchBendContrib	The angle-bend term for MMFF
CTorsionAngleContrib	Torsion term for MMFF
CAngleConstraintContrib	An angle range constraint modelled after a AngleBendContrib
CAngleConstraintContribsParams
CAngleConstraintContribs	A term to capture all flat bottom angle constraint potentials
CForceFieldContrib	Abstract base class for contributions to ForceFields
CDistanceConstraintContrib	A distance range constraint modelled after a BondStretchContrib
CDistanceConstraintContribsParams
CDistanceConstraintContribs	A term to capture all flat bottom distance constraint potentials
CForceField	A class to store forcefields and handle minimization
CPositionConstraintContrib	A position constraint of the type 0.5k * deltaX^2
CTorsionConstraintContrib	A dihedral angle range constraint modelled after a TorsionContrib
NInvar
CInvariant
NQueries
CAndQuery	Query implementing AND: requires all children to be true
CEqualityQuery	Query implementing ==: arguments must match a particular value (within an optional tolerance)
CGreaterEqualQuery	Query implementing >= using a particular value (and an optional tolerance)
CGreaterQuery	Query implementing > using a particular value (and an optional tolerance)
CLessEqualQuery	Query implementing <= using a particular value (and an optional tolerance)
CLessQuery	Query implementing < using a particular value (and an optional tolerance)
COrQuery	Query implementing AND: requires any child to be true
CInt2Type	Class to allow integer values to pick templates
CQuery	Base class for all queries
CRangeQuery	Query implementing a range: arguments must fall in a particular range of values
CSetQuery	Query implementing a set: arguments must one of a set of values
CXOrQuery	Query implementing XOR: requires exactly one child to be true
NRDCatalog
CCatalog	Abstract base class for a catalog object
CHierarchCatalog	A Catalog with a hierarchical structure
Cvertex_entry_t	Used by the BGL to set up the node properties in our graph
CCatalogEntry	Abstract base class to be used to represent an entry in a Catalog
CCatalogParams	Abstract base class for the container used to create a catalog
NRDDataManip
CMetricMatrixCalc	A generic metric matrix calculator (e.g similarity matrix or distance matrix)
NRDDepict
CgtIIPair
CEmbeddedAtom	Class that contains the data for an atoms that has already been embedded
CEmbeddedFrag	Class containing a fragment of a molecule that has already been embedded
CDepictException
CCompute2DCoordParameters
CConstrainedDepictionParams
CCoordinateTemplates
NRDFeatures
CExplicitFeature
CImplicitFeature
NRDGeom
CGridException
CGrid3D	Virtual base class for a grid object
CPoint
CPoint3D
CPoint2D
CPointND
CTransform2D
CTransform3D
CUniformGrid3D
CUniformRealValueGrid3D
NRDInfoTheory	Class used to rank bits based on a specified measure of information
CBitCorrMatGenerator
CInfoBitRanker
NRDKit	Std stuff
NAbbreviations
CAbbreviationDefinition
CAbbreviationMatch
NCanon
CMolStackUnion	Used to store components in the molecular stack
CMolStackElem	These are the actual elements in the molecular stack
CAtomCompareCode
Cbondholder
Ccanon_atom
CSpecialChiralityAtomCompareFunctor
CSpecialSymmetryAtomCompareFunctor
CAtomCompareFunctor
CChiralAtomCompareFunctor
Nv2
NReactionParser
CReactionSmartsParserParams
NCDXMLParser
CCDXMLParserParams
NFileParsers
CMolFileUnhandledFeatureException
CMolFileParserParams
CMolFromSCSRParams
CTPLParserParams
CMol2ParserParams
CPDBParserParams
CMolSupplier
CForwardSupplierIter
CForwardSDMolSupplier
CRandomAccessSupplierIter
CSDMolSupplier
CSmilesMolSupplierParams
CSmilesMolSupplier	Lazy file parser for Smiles tables
CTDTMolSupplierParams
CTDTMolSupplier	Lazy file parser for TDT files
NMarvinParser
CMrvParserParams
NSmilesParse
CSmilesParserParams
CSmartsParserParams
CSmilesParseException
Nv1
CMolSupplier
CForwardSDMolSupplier
CSDMolSupplier
CSmilesMolSupplier	Lazy file parser for Smiles tables
CTDTMolSupplier	Lazy file parser for TDT files
CSmilesParserParams
CSmartsParserParams
CMolFileUnhandledFeatureException
CPDBParserParams
CSmilesParseException
NMolFragmenter
CFragmenterBondType
NChirality
CStereoInfo
CBondWedgingParameters
CWedgeInfoBase
CWedgeInfoChiral
CWedgeInfoAtropisomer
NCIPLabeler
CMaxIterationsExceeded
CCIPMolSpan
CCIPMolIter
CCIPMol
CAtropisomerBond
CConfiguration
CSp2Bond
CTetrahedral
CDigraph
CEdge
CFractionalAtomicNum
CNode
CPriority
CPairList
CRule1a
CRule1b
CRule2
CRule3
CRule4a
CRule4b
CRule4c
CRule5
CRule5New
CRule6
CRules
CSequenceRule
CSort
CTooManyNodesException
NDeprotect
CDeprotectData
NDescriptors
CCrippenParams	Class used to store Crippen parameters
CCrippenParamCollection	Singleton class for retrieving Crippen parameters
CDoubleCubicLatticeVolume
CPropertyFunctor
CProperties	Holds a collection of properties for computation purposes
NDGeomHelpers
CTorsionValue
CPath14Configuration	A structure used to store planar 14 paths - cis/trans
CBounds
CEmbedParameters	Parameter object for controlling embedding
CInternalCoordinates
NEnumerateStereoisomers
Ndetails
CFlipper
CAtomFlipper
CBondFlipper
CStereoGroupFlipper
CAtropisomerFlipper
CStereoEnumerationOptions
CStereoisomerEnumerator
NGeneralMolSupplier
CSupplierOptions
NFilterMatchOps
CAnd
COr
CNot
NAtomPair
CAtomPairAtomInvGenerator
CAtomPairArguments	Class that holds atom-pair fingerprint specific arguments
CAtomPairAtomEnv	Class that holds atom-environment data needed for atom-pair fingerprint generation
CAtomPairEnvGenerator	Class that generates atom-environments for atom-pair fingerprint
NMorganFingerprints
Css_matcher
NMHFPFingerprints
CMHFPEncoder
NMorganFingerprint
CMorganAtomInvGenerator	Default atom invariants generator for Morgan fingerprint, generates ECFP-type invariants
CMorganFeatureAtomInvGenerator	Alternative atom invariants generator for Morgan fingerprint, generate FCFP-type invariants
CMorganBondInvGenerator	Bond invariants generator for Morgan fingerprint
CMorganArguments	Class for holding Morgan fingerprint specific arguments
CMorganAtomEnv	Class for holding the bit-id created from Morgan fingerprint environments and the additional data necessary extra outputs
CMorganEnvGenerator	Class that generates atom environments for Morgan fingerprint
NRDKitFP
CRDKitFPArguments
CRDKitFPAtomInvGenerator
CRDKitFPAtomEnv
CRDKitFPEnvGenerator
NTopologicalTorsion
CTopologicalTorsionArguments
CTopologicalTorsionAtomEnv
CTopologicalTorsionEnvGenerator
NFMCS
CComposition2N
CExecStatistics
CDuplicatedSeedCache
CTKey
CGraph
CTArray2D
CMaximumCommonSubgraph
CMolFragment
CNewBond
CSeed
CSeedSet
CSubstructureCache
CKeyNumericMetrics
CHashKey
CTarget
CTargetMatch
Ndetail
CMCSParametersInternal
CRecursiveLocker
NMMFF
NTools
CDefaultTorsionBondSmarts
CMMFFAtomProperties
CMMFFMolProperties
NUFF
NTools
CDefaultTorsionBondSmarts
NGaussianShape
CCustomFeature
CShapeInputOptions
CShapeInput
CShapeOverlayOptions
CSingleConformerAlignment
NGeneralizedSubstruct
CExtendedQueryMol
NMolAlign
CMolAlignException
CBestAlignmentParams
CO3AFuncData
CO3AConstraint
CO3AConstraintVect
CMolHistogram
CLAP
CSDM
CO3A
NMolDraw2D_detail
CAtomSymbol
CDrawAnnotation
CDrawMol
CDrawMolMCH
CDrawMolMCHCircleAndLine
CLinePair
CDrawMolMCHLasso
CDrawShape
CDrawShapeArrow
CDrawShapeEllipse
CDrawShapeSimpleLine
CDrawShapePolyLine
CDrawShapeSolidWedge
CDrawShapeDashedWedge
CDrawShapeWavyLine
CDrawShapeArc
CDrawText
CDrawTextCairo
CDrawTextFT
CDrawTextFTCairo
CDrawTextFTJS
CDrawTextFTSVG
CDrawTextJS
CDrawTextNotFT
CDrawTextSVG
CSGroupDataLabel	Holds the text and position of a DAT SGroup label
CDrawTextFTQt
CDrawTextQt
CStringRect
CPoint2D
NMolDraw2DUtils
CContourParams
NMolEnumerator
CLinkNode
CMolEnumeratorOp	Abstract base class for the a molecule enumeration operation
CPositionVariationOp	Molecule enumeration operation corresponding to position variation bonds
CLinkNodeOp	Molecule enumeration operation corresponding to LINKNODES
CRepeatUnitOp	Molecule enumeration operation corresponding to SRUs
CMolEnumeratorParams	Parameters used to control the molecule enumeration
NMolInterchange
CJSONParseParameters
CJSONWriteParameters
NMolOps	Groups a variety of molecular query and transformation operations
CAddHsParameters
CRemoveHsParameters
CAdjustQueryParameters	Parameters controlling the behavior of MolOps::adjustQueryProperties
CHybridizations
NMolStandardize
NTautomerScoringFunctions
CSubstructTerm
CAcidBaseCatalogEntry
CAcidBaseCatalogParams
CChargeCorrection
CReionizer
CUncharger	For neutralizing ionized acids and bases
CFragmentRemover
CLargestFragmentChooser
CLargest
CFragmentCatalogEntry
CFragmentCatalogParams
CMetalDisconnectorOptions
CMetalDisconnector
CCleanupParameters
CNormalizer	For applying Normalization transforms
CPipelineOptions
CPipelineLogEntry
CPipelineResult
CPipeline
CTautomer
CTautomerEnumeratorResult	Contains results of tautomer enumeration
Cconst_iterator
CTautomerEnumeratorCallback
CTautomerEnumerator
CTautomerCatalogEntry
CTautomerTransform
CTautomerCatalogParams
CTransformCatalogEntry
CTransformCatalogParams
CValidationMethod
CCompositeValidation	Simple way to apply a collection of
CRDKitValidation
CNoAtomValidation	MolVS Validations
CFragmentValidation	Logs if certain fragments are present
CNeutralValidation	Logs if not an overall neutral system
CIsotopeValidation	Logs if molecule contains isotopes
CMolVSValidation
CAllowedAtomsValidation
CDisallowedAtomsValidation
CDisallowedRadicalValidation
CFeaturesValidation
CIs2DValidation
CLayout2DValidation
CStereoValidation
NRascalMCES
Ndetails
CClusNode
CPartitionSet
CRascalClusterOptions
CRascalOptions
CRascalResult
NScaffoldNetwork
CScaffoldNetworkParams
CNetworkEdge
CScaffoldNetwork
NSLNParse
CAttribType
NSmilesParse
CSmilesParseException
NStructureCheck
CChargeFix
CLigand
CAugmentedAtom
CIncEntry
CPathEntry
CStructCheckerOptions
CStructChecker	Class for performing structure validation and cleanup
CStructCheckTautomer
CNeighbourhood
NSynthonSpaceSearch
Ndetails
CMemoryMappedFileReader
CStepper
CSearchResults
CSynthon
CSampleMolRec
CSynthonSet
CSynthonShapeInput
CSynthonSpace
CSynthonSpaceFingerprintSearcher
CSynthonSpaceHitSet
CSynthonSpaceFPHitSet
CSynthonSpaceShapeHitSet
CSynthonSpaceRascalSearcher
CSynthonSpaceSearcher
CSynthonSpaceSearchParams
CShapeBuildParams
Chash_address_pair
CSynthonSpaceShapeSearcher
CSynthonSpaceSubstructureSearcher
NUtils
CLocaleSwitcher
NRDTypeTag
Ndetail
CValue
CAtom	The class for representing atoms
CatomicData
CAtomIterator_	A general random access iterator
CHeteroatomIterator_	Iterate over heteroatoms, this is bidirectional
CAromaticAtomIterator_	Iterate over aromatic atoms, this is bidirectional
CQueryAtomIterator_	Iterate over atoms matching a query. This is bidirectional
CMatchingAtomIterator_	Iterate over atoms matching a query function. This is bidirectional
CBond	Class for representing a bond
CBondIterator_	Iterator for a molecule's bonds, currently BiDirectional, but it theoretically ought to be RandomAccess
CConstBondIterator_	Const iterator for a molecule's bonds, currently BiDirectional, but it theoretically ought to be RandomAccess
CCartesianProductStrategy
CEnumerationParams
CEnumerateLibrary	This is a class for running reactions on sets of reagents
CEnumerateLibraryBase
CEnumerationStrategyException	Class for flagging enumeration strategy errors
CEnumerationStrategyBase
CEvenSamplePairsStrategy	EvenSamplePairsStrategy
CRandomSampleStrategy
CRandomSampleAllBBsStrategy
CChemicalReactionException	Used to indicate an error in the chemical reaction engine
CChemicalReaction	This is a class for storing and applying general chemical reactions
CReactionFingerprintParams
CChemicalReactionParserException	Used to indicate an error in parsing reaction data
CReactionPicklerException	Used to indicate exceptions whilst pickling (serializing) reactions
CReactionPickler	Handles pickling (serializing) reactions
CRxnSanitizeException	Class for flagging sanitization errors
CMolzipParams
CConformerException	Used to indicate errors from incorrect conformer access
CConformer	The class for representing 2D or 3D conformation of a molecule
CMaxFindBondOrdersItersExceeded
CMolWriterParams
CStereoBondThresholds
CMolWriter
CSmilesWriter
CSDWriter
CTDTWriter
CPDBWriter
CPNGMetadataParams
CFilterCatalogParams
CFilterCatalog
CFilterCatalogEntry
CFilterMatch	Holds the atomPairs matched by the underlying matcher
CFilterMatcherBase
CSmartsMatcher
CExclusionList
CFilterHierarchyMatcher
CFilterData_t
CFilterProperty_t
CAdditionalOutput
CFingerprintArguments	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
CAtomEnvironment	Abstract base class that holds atom-environments that will be hashed to generate the fingerprint
CAtomEnvironmentGenerator	Abstract base class that generates atom-environments from a molecule
CAtomInvariantsGenerator	Abstract base class for atom invariants generators
CBondInvariantsGenerator	Abstract base class for bond invariants generators
CFingerprintFuncArguments	Struct that makes calling the fingerprint generation functions easier
CFingerprintGenerator	Class that generates same fingerprint style for different output formats
CUnimplementedFPException
CMCSAtomCompareParameters
CMCSBondCompareParameters
CMCSProgressData
CMCSParameters
CMCSResult
CFragCatalogEntry
CFragCatGenerator
CFragCatParams	Container for user parameters used to create a fragment catalog
CFragFPGenerator
CMacroAtomInfo	Captures atom-level information for macro atoms
CMacroBondInfo	Captures bond-level information for macro bonds
CBondInfo	One macro-bond connection in the owning graph bond's orientation
CMacroMol
CMacroMolLeavingGroup	Describes the atoms removed at one MacroMol template attachment point
CMacroMolTemplate
CMacroMolTemplateBuilder	Collects and validates the pieces needed to create a MacroMolTemplate
CMacroMolTemplateLibrary
CMarvinWriterException
CMarvinArrow
CMarvinPlus
CMarvinCondition
CMarvinAttachmentPoint
CMarvinAtom
CMarvinBondStereo
CMarvinBond
CMarvinRectangle
CMarvinMolBase
CMarvinSruCoModSgroup
CMarvinDataSgroup
CMarvinSuperatomSgroupExpanded
CMarvinMultipleSgroup
CMarvinMulticenterSgroup
CMarvinGenericSgroup
CMarvinMonomerSgroup
CMarvinSuperatomSgroup
CMarvinMol
CMarvinReaction
CMarvinStereoGroup
CMrvWriterParams
CMolBundle	MolBundle contains a collection of related ROMols
CFixedMolSizeMolBundle
CMolCatalogEntry	This class is used to store ROMol objects in a MolCatalog
CMolCatalogParams	Container for user parameters used to create a mol catalog
CFeatureFileParseException	Class used to indicate errors in parsing feature definition files
CMolChemicalFeature
CMolChemicalFeatureDef
CMolChemicalFeatureFactory	The class for finding chemical features in molecules
CMolDraw2D	MolDraw2D is the base class for doing 2D renderings of molecules
CMolDraw2DCairo
CDrawColour
CMolDrawOptions
CMolDraw2DJS
CMolDraw2DSVG
CMolDraw2Dwx
CMolDraw2DQt
CMolPicklerException	Used to indicate exceptions whilst pickling (serializing) molecules
CMolPickler	Handles pickling (serializing) molecules
CAtomMonomerInfo	The abstract base class for atom-level monomer info
CAtomPDBResidueInfo	Captures atom-level information about peptide residues
CGasteigerParams
CPeriodicTable	Singleton class for retrieving information about atoms
CQueryAtom	Class for storing atomic queries
CQueryBond	Class for storing Bond queries
CAtomRingQuery
CRecursiveStructureQuery	Allows use of recursive structure queries (e.g. recursive SMARTS)
CHasPropQuery
CHasPropWithValueQueryBase
CHasPropWithValueQuery
CHasPropWithValueQuery< TargetPtr, std::string >
CHasPropWithValueQuery< TargetPtr, ExplicitBitVect >
CResonanceMolSupplierCallback
CResonanceMolSupplier
CRCore	RCore is the core common to a series of molecules
CRGroupData	A single rgroup attached to a given core
CRGroupDecompositionProcessResult
CUsedLabelMap
CRGroupDecomposition
CRGroupDecompData
CUsedLabels
CRGroupDecompositionParameters
CVarianceDataForLabel
CFingerprintVarianceScoreData
CRGroupDecompositionChromosome
CGaResult
CRGroupGa
CRGroupMatch	RGroupMatch is the decomposition for a single molecule
CCartesianProduct	Iterate through all possible permutations of the rgroups
CRGroupScorer
CRingInfo
CCXXAtomIterator
CCXXAtomIter
CCXXBondIterator
CCXXBondIter
CROMol
CRWMol	RWMol is a molecule class that is intended to be edited
CMolSanitizeException	Class for flagging sanitization errors
CAtomSanitizeException
CAtomValenceException
CAtomKekulizeException
CKekulizeException
CSLNParseException
CRigorousEnhancedStereoException
CSmilesWriteParams
CStereoGroup
CSubsetOptions	Subsetting Options for copyMolSubset
CSubsetInfo
CSubstanceGroupException	Used to indicate errors from incorrect sgroup access
CSubstanceGroup	The class for representing SubstanceGroups
CAttachPoint
CCState
CSubstructMatchParameters
CMolMatchFinalCheckFunctor
CAtomCoordsMatchFunctor
CMolHolderBase	Base class API for holding molecules to substructure search
CMolHolder	Concrete class that holds molecules in memory
CCachedMolHolder	Concrete class that holds binary cached molecules in memory
CCachedSmilesMolHolder	Concrete class that holds smiles strings in memory
CCachedTrustedSmilesMolHolder	Concrete class that holds trusted smiles strings in memory
CFPHolderBase	Base FPI for the fingerprinter used to rule out impossible matches
CPatternHolder
CTautomerPatternHolder
CKeyHolderBase
CKeyFromPropHolder
CSubstructLibrary	Substructure Search a library of molecules
CProgressBar
CTautomerQuery
CSnapshot
CTrajectory
CDataStructsExplicitBitVecPropHandler
CDiscreteDistMat
CDiscreteValueVect	Class for efficiently storing vectors of discrete values
CFPBReader	Class for reading and searching FPB files
CMultiFPBReader	Class for reading and searching multiple FPB files
CRealValueVect
CSparseIntVect	Class for efficiently storing sparse vectors of ints
CBadFileException	Used by various file parsing classes to indicate a bad file
CControlCCaught
CControlCHandler
CDict	The Dict class can be used to store objects of arbitrary type keyed by strings
CPair
CPairHolder
CFileParseException	Used by various file parsing classes to indicate a parse error
CRDAny
CRDProps
CRDValue
CCustomPropHandler
CltDouble	Functor to compare two doubles with a tolerance
Clarger_of	Functor for returning the larger of two values
Ccharptr_functor	Functor for comparing two strings
CMolSupplier
CForwardSDMolSupplier
CSDMolSupplier
CSmilesMolSupplier	Lazy file parser for Smiles tables
CTDTMolSupplier	Lazy file parser for TDT files
CSmilesParserParams
CSmartsParserParams
CExtendedQueryMol
NRDLog
CLogStateSetter
CCaptureLog
CCaptureErrorLog	Convenience subclass of CaptureLog that captures rdErrorLog
NRDMIF
CCoulomb	Class for calculation of electrostatic interaction (Coulomb energy) between probe and molecule in vacuum (no dielectric)
CCoulombDielectric	Class for calculation of electrostatic interaction (Coulomb energy) between probe and molecule by taking a distance-dependent dielectric into account:
CVdWaals	Abstract class for calculation of Van der Waals interaction between probe and molecule at gridpoint pt
CMMFFVdWaals
CUFFVdWaals
CHBond	Class for calculation of hydrogen bond potential between probe and molecule
CHydrophilic	Class for calculation of hydrophilic field of molecule
NRDNumeric
CMatrix	A matrix class for general, non-square matrices
CSquareMatrix
CSymmMatrix	A symmetric matrix class
CVector	A class to represent vectors of numbers
NRDPickers
CDistPicker	Abstract base class to do perform item picking (typically molecules) using a distance matrix
CHierarchicalClusterPicker	Diversity picker based on hierarchical clustering
CLeaderPicker	Implements the Leader algorithm for picking a subset of item from a pool
CLeaderPickerState
CMaxMinPicker	Implements the MaxMin algorithm for picking a subset of item from a pool
CMaxMinPickInfo
CBitVect	Abstract base class for storing BitVectors
Cboost_py_deleter
CData3Ddescriptors
CDatastructsException
CExplicitBitVect	Class for bit vectors that are densely occupied
CIndexErrorException	Class to allow us to throw an IndexError from C++ and have it make it back to Python
CKeyErrorException	Class to allow us to throw a KeyError from C++ and have it make it back to Python
CMolData3Ddescriptors
CPoint2D
CPySequenceHolder	Class to hold sequences (lists, tuples, arrays, etc.) passed from Python -> C++
Cset	STL class
Citerator	STL iterator class
Cconst_iterator	STL iterator class
Creverse_iterator	STL iterator class
Cconst_reverse_iterator	STL iterator class
CSparseBitVect	Class for bit vectors that are sparsely occupied
Ctype_caster< boost::shared_ptr< T > >
CValueErrorException	Class to allow us to throw a ValueError from C++ and have it make it back to Python