Package rdkit :: Package Chem :: Package fmcs
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Package fmcs

source code

Actual implementation of the FMCS algorithm
This code should be used by importing rdkit.Chem.MCS

Submodules [hide private]

Variables [hide private]
  __package__ = 'rdkit.Chem.fmcs'
  eleno = 52

Imports: enumerate_subgraphs, set_isotopes, AtomSmartsNoAromaticity, chain, atom_typers, atom_typer_isotopes, combinations, restore_isotopes, convert_input_to_typed_molecules, make_structure_format, CachingTargetsMatcher, collections, main, parse_threshold, rerank, atom_typer_any, heapify, TypedFragment, structure_format_functions, itertools, tiebreaker, get_counts, parse_num_atoms, compute_mcs, make_complete_sdf, default_bond_typer, find_extensions, nonempty_powerset, range_pat, get_specified_types, value_pat, OutgoingEdge, prune_maximize_atoms, SingleBestAtomsCompleteRingsOnly, powerset, re, intersect_counts, defaultdict, MCSResult, Timer, starting_from, check_completeRingsOnly, make_fragment_sdf, VerboseCachingTargetsMatcher, get_isotopes, weakref, range, make_fragment_smiles, prune_maximize_bonds, gen_primes, Uniquer, Default, get_typed_fragment, DirectedEdge, get_typed_molecule, CangenNode, save_isotopes, all_subgraph_extensions, TypedMolecule, next, get_canonical_bondtypes, remove_unknown_bondtypes, fragmented_mol_to_enumeration_mols, default_atom_typer, SingleBestAtoms, heappop, find_duplicates, SingleBestBondsCompleteRingsOnly, make_canonical_smarts, get_closure_label, fmcs, find_upper_fragment_size_limits, copy, MATCH, SingleBestBonds, generate_smarts, make_arbitrary_smarts, atom_typer_elements, subgraph_to_fragment, canon, find_extension_size, FragmentedTypedMolecule, Subgraph, parse_select, parse_timeout, heappush, bond_typers, bond_typer_any, Atom, EnumerationMolecule, save_atom_classes, product, Chem, sys, get_initial_cangen_nodes, Bond, compare_shortcuts, bond_typer_bondtypes, VerboseHeapOps, get_selected_atom_classes, time, get_canonical_bondtype_counts, assign_isotopes_from_class_tag