Module fmcs'


Classes

Atom
AtomSmartsNoAromaticity
Bond
CachingTargetsMatcher
CangenNode
Default
DirectedEdge
EnumerationMolecule
FragmentedTypedMolecule
MCSResult
OutgoingEdge
SingleBestAtoms
SingleBestAtomsCompleteRingsOnly
SingleBestBonds
SingleBestBondsCompleteRingsOnly
Subgraph
Timer
TypedFragment
TypedMolecule
Uniquer
VerboseCachingTargetsMatcher
VerboseHeapOps
_SingleBest
starting_from

Functions

MATCH
_Counter
_MolToSDBlock
_check_atom_classes
_copy_sd_tags
_get_match_bond_indices
_get_nth_prime
_get_threshold_count
_save_other_tags
_update_times
all_subgraph_extensions
assign_isotopes_from_class_tag
atom_typer_any
atom_typer_elements
atom_typer_isotopes
bond_typer_any
bond_typer_bondtypes
canon
check_completeRingsOnly
compute_mcs
convert_input_to_typed_molecules
default_atom_typer
default_bond_typer
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
intersect_counts
main
make_arbitrary_smarts
make_canonical_smarts
make_complete_sdf
make_fragment_sdf
make_fragment_smiles
make_structure_format
nonempty_powerset
parse_num_atoms
parse_select
parse_threshold
parse_timeout
powerset
prune_maximize_atoms
prune_maximize_bonds
remove_unknown_bondtypes
rerank
restore_isotopes
save_atom_classes
save_isotopes
set_isotopes
subgraph_to_fragment
tiebreaker

Variables

__package__
__version_info
_atom_class_dict
_atom_smarts_no_aromaticity
_available_closures
_isotope_dict
_maximize_options
_prime_stream
_primes
atom_typers
bond_typers
compare_shortcuts
eleno
range_pat
structure_format_functions
value_pat

[hide private]