Class List

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

Nboost
Cgraph_traits< nuri::Graph< NT, ET > >
Cgraph_traits< nuri::Subgraph< NT, ET, is_const > >
Nnuri
CAtomData
CBfgs	BFGS minimizer
CBfgsResult
CBondData
CBoolMatrix
CBoolMatrixKey
CBoostEdgeDesc
CCifParser
CCyclicIndex	Cyclic indexer for Eigen types with a given offset
CCyclicIndex< 0, 0 >
CCyclicIndex< O, 0 >
CDefaultReaderFactoryImpl
CDefaultReaderImpl
CElement	The class for element data
CGAlignResult
CGAMinimizeArgs
CGARigidMolInfo
CGASamplingArgs
CGraph	Class for very sparse graphs, especially designed for the molecular graphs
CStoredEdge
CIsotope
CLBfgs	L-BFGS(-B) minimizer
CLbfgsResult
CMmcifReader
CMmcifReaderFactory
CMmResult
CMol2Reader
CMol2ReaderFactory
CMolecule	Read-only molecule class
CMoleculeMutator	A class to mutate a molecule
CMoleculeReader
CMoleculeReaderFactory
CMoleculeReaderWrapper
CMoleculeReaderWrapper< std::ifstream, Reader >
CMoleculeSanitizer
CMoleculeStream
CNelderMead	Nelder-Mead simplex algorithm for function minimization
CNMResult
COCTree	An octree implementation for 3D point clouds
CPDBAtom	Represents a PDB atom with (possibly) multiple alternate locations
CPDBAtomSite	Represents a single site with position and properties
CPDBChain	Represents a PDB chain containing residues
CPDBModel	Represents a PDB model containing chains
CPDBReader
CPDBReaderFactory
CPDBResidue	Represents a PDB residue containing atoms
CPDBResidueId
CPeriodicTable	The periodic table of elements
CReversedStream
CRingSetsFinder	Wrapper class of the common routines of find_sssr() and find_relevant_rings()
CSDFReader
CSDFReaderFactory
CSmilesReader
CSmilesReaderFactory
CSubgraph	A subgraph of a graph
CTMAlign	TM-align algorithm
CTMAlignResult	Result of TM-align algorithm
CVF2pp	An implementation of VF2++ algorithm for (sub)graph isomorphism
CVF2ppResult
CVoxelGrid	A uniform voxel-grid (cell list) index for 3D point clouds with a fixed neighbor cutoff
CZippedIterator