besmarts.core.resolve module

besmarts.core.enumerate

Enumerate a SMARTS pattern into one or more SMILES

besmarts.core.resolve.get_edge_frags(beg, edges, beg_adj, adj, idx)

besmarts.core.resolve.hash_fragment(nodes, edges)

besmarts.core.resolve.resolve_process_fragment(beg, beg_adj, visitor_rulesets, frag_cache, edge_frags, nodes, edges, adj, seen, idx, gcd, frag, shm=None)

besmarts.core.resolve.resolve_smiles(beg: graph, visitor_rulesets: List[visitor_ruleset])

besmarts.core.resolve.resolve_smiles_distributed(beg: graph, visitor_rulesets: List[visitor_ruleset], ws, gcd, library_atoms=None)

besmarts.core.resolve.resolve_smiles_iter(beg: graph, visitor_rulesets: List[visitor_ruleset])

besmarts.core.resolve.resolve_smiles_recurse_distributed(beg: graph, beg_adj, visitor_rulesets: List[visitor_ruleset], frag_cache, nodes, edges, adj, seen, ws, gcd, library_atoms=None)

besmarts.core.resolve.resolve_smiles_recurse_iter(beg: graph, beg_adj, visitor_rulesets: List[visitor_ruleset], frag_cache, nodes, edges, adj, seen)