| Cnuri::AtomData | |
| Cnuri::Bfgs | BFGS minimizer |
| Cnuri::BfgsResult | |
| Cnuri::BondData | |
| Cnuri::BoolMatrix | |
| Cnuri::BoolMatrixKey | |
| Cnuri::BoostEdgeDesc | |
| Cnuri::internal::BoostGraphTraits< nuri::Graph< NT, ET > > | |
| Cboost::graph_traits< nuri::Graph< NT, ET > > | |
| Cnuri::internal::BoostGraphTraits< nuri::Subgraph< NT, ET, is_const > > | |
| Cboost::graph_traits< nuri::Subgraph< NT, ET, is_const > > | |
| Cnuri::CifParser | |
| Cnuri::CyclicIndex< O, N > | Cyclic indexer for Eigen types with a given offset |
| Cnuri::CyclicIndex< 0, 0 > | |
| Cnuri::CyclicIndex< O, 0 > | |
| Cnuri::Element | The class for element data |
| Cnuri::GAlignResult | |
| Cnuri::GAMinimizeArgs | |
| Cnuri::GARigidMolInfo | |
| Cnuri::GASamplingArgs | |
| Cnuri::Graph< NT, ET > | Class for very sparse graphs, especially designed for the molecular graphs |
| Cnuri::Isotope | |
| Cboost::iterator_facade | |
| Cnuri::internal::ProxyIterator< ZippedIterator< Iters... >, ZippedIteratorTraits< ZippedIterator< Iters... > >::reference, ZippedIteratorTraits< ZippedIterator< Iters... > >::iterator_category, ZippedIteratorTraits< ZippedIterator< Iters... > >::difference_type > | |
| Cnuri::internal::ZippedIteratorBase< ZippedIterator< Iters... > > | |
| Cnuri::ZippedIterator< Iters > | |
| Cnuri::internal::ProxyIterator< Derived, ZippedIteratorTraits< Derived >::reference, ZippedIteratorTraits< Derived >::iterator_category, ZippedIteratorTraits< Derived >::difference_type > | |
| Cnuri::internal::LBfgsBase | |
| Cnuri::LBfgs< Impl > | L-BFGS(-B) minimizer |
| Cnuri::LbfgsResult | |
| Cnuri::MmResult | |
| Cnuri::Molecule | Read-only molecule class |
| Cnuri::MoleculeMutator | A class to mutate a molecule |
| Cnuri::MoleculeReader | |
| Cnuri::DefaultReaderImpl< read_mol2 > | |
| Cnuri::Mol2Reader | |
| Cnuri::DefaultReaderImpl< read_pdb > | |
| Cnuri::PDBReader | |
| Cnuri::DefaultReaderImpl< read_sdf > | |
| Cnuri::SDFReader | |
| Cnuri::DefaultReaderImpl< read_smiles > | |
| Cnuri::SmilesReader | |
| Cnuri::DefaultReaderImpl< parser > | |
| Cnuri::MmcifReader | |
| Cnuri::MoleculeReaderFactory | |
| Cnuri::DefaultReaderFactoryImpl< MmcifReader > | |
| Cnuri::MmcifReaderFactory | |
| Cnuri::DefaultReaderFactoryImpl< Mol2Reader > | |
| Cnuri::Mol2ReaderFactory | |
| Cnuri::DefaultReaderFactoryImpl< PDBReader > | |
| Cnuri::PDBReaderFactory | |
| Cnuri::DefaultReaderFactoryImpl< SDFReader > | |
| Cnuri::SDFReaderFactory | |
| Cnuri::DefaultReaderFactoryImpl< SmilesReader > | |
| Cnuri::SmilesReaderFactory | |
| Cnuri::DefaultReaderFactoryImpl< MoleculeReaderImpl > | |
| Cnuri::MoleculeReaderWrapper< SourceStream, Reader > | |
| Cnuri::MoleculeReaderWrapper< std::ifstream, Reader > | |
| Cnuri::MoleculeSanitizer | |
| Cnuri::MoleculeStream< Reader > | |
| Cnuri::NelderMead | Nelder-Mead simplex algorithm for function minimization |
| Cnuri::NMResult | |
| Cnuri::OCTree | An octree implementation for 3D point clouds |
| Cnuri::PDBAtom | Represents a PDB atom with (possibly) multiple alternate locations |
| Cnuri::PDBAtomSite | Represents a single site with position and properties |
| Cnuri::PDBChain | Represents a PDB chain containing residues |
| Cnuri::PDBModel | Represents a PDB model containing chains |
| Cnuri::PDBResidue | Represents a PDB residue containing atoms |
| Cnuri::PDBResidueId | |
| Cnuri::PeriodicTable | The periodic table of elements |
| Cnuri::ReversedStream | |
| Cnuri::RingSetsFinder< MoleculeLike > | Wrapper class of the common routines of find_sssr() and find_relevant_rings() |
| Cnuri::Graph< NT, ET >::StoredEdge | |
| Cnuri::Subgraph< NT, ET, is_const > | A subgraph of a graph |
| Cnuri::TMAlign | TM-align algorithm |
| Cnuri::TMAlignResult | Result of TM-align algorithm |
| Cnuri::VF2pp< kMt, GT, GU > | An implementation of VF2++ algorithm for (sub)graph isomorphism |
| Cnuri::VF2ppResult | |
| Cnuri::VoxelGrid | A uniform voxel-grid (cell list) index for 3D point clouds with a fixed neighbor cutoff |
1.17.0