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'
  atom_typers = {'any': <function atom_typer_any at 0xf13a7e9c>,...
  bond_typers = {'any': <function bond_typer_any at 0xf13a7f7c>,...
  compare_shortcuts = {'elements': ('elements', 'any'), 'topolog...
  eleno = 52
  range_pat = re.compile(r'(\d+)-(\d*)')
  structure_format_functions = {'complete-sdf': <function make_c...
  value_pat = re.compile(r'(\d+)')

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


Variables Details [hide private]

atom_typers

Value:
{'any': <function atom_typer_any at 0xf13a7e9c>,
 'elements': <function atom_typer_elements at 0xf13a7f0c>,
 'isotopes': <function atom_typer_isotopes at 0xf13a7f44>}

bond_typers

Value:
{'any': <function bond_typer_any at 0xf13a7f7c>,
 'bondtypes': <function bond_typer_bondtypes at 0xf13a7fb4>}

compare_shortcuts

Value:
{'elements': ('elements', 'any'),
 'topology': ('any', 'any'),
 'types': ('elements', 'bondtypes')}

structure_format_functions

Value:
{'complete-sdf': <function make_complete_sdf at 0xf134909c>,
 'fragment-sdf': <function make_fragment_sdf at 0xf1349064>,
 'fragment-smiles': <function make_fragment_smiles at 0xf37f0f44>}