bfs_search_classes_generator

bfs_search_classes_generator(classes: list[dict[str, list[str]]], structures: list, params: SubstructMatchParameters, class_hierarchy: dict[str, list[str]] | None = None) → Generator

Perform substructure search for chemical classes using Breadth-First Search (BFS) and yield results.

Parameters:

• classes (list[dict[str, list[str]]]) – List of chemical classe.

• structures (list) – List of structures.

• params (SubstructMatchParameters) – Parameters for matching.

• class_hierarchy – Dictionary representing hierarchy between classes (optional).

• class_hierarchy – Union[None,dict[str, list[str]]].

Yields:

A dictionary containing matches.