besmarts.core.rulesets module¶

besmarts.core.rulesets

Defines the rules for determining whether a given graph is “valid” where the current state is whether the graph is a valid molecule/SMILES

class besmarts.core.rulesets.visitor_ruleset(primitive_codecs)[source]¶

Bases: graph_visitor

on_edge(idx, smarts: bechem, *args, **kwargs)[source]¶

on_edge_enter(idx)[source]¶

on_edge_exit(idx)[source]¶

on_graph(nodes, edges)[source]¶

on_node(idx, besmarts: bechem, *args, **kwargs)[source]¶

on_node_edges(idx, node, edges)[source]¶

on_node_exit(idx)[source]¶

on_nodes(nodes)[source]¶

on_start(g: graph)[source]¶

on_stop(g: graph, result)[source]¶