search_classes.tqdm_bfs_search_classes_generator()

BFS search with tqdm progress bar.

Usage

Source

search_classes.tqdm_bfs_search_classes_generator(
    classes, structures, params, class_hierarchy=None
)

Wraps bfs_search_classes_generator() with a tqdm progress indicator.

Parameters

classes: list[ClassDict]

List of dicts mapping class IDs to SMARTS patterns.

structures: list[Mol]

RDKit Mol objects to classify.

params: SubstructMatchParameters

Parameters forwarded to RDKit substructure matching.

class_hierarchy: ClassHierarchy | None = None

Optional parent-to-children mapping for hierarchical BFS. Default is None.

Yields

MatchResult

Match information dictionary for each structure-class pair found.