get_class_structures.get_class_structures()
Build a mapping from class IDs to their SMARTS structures.
Usage
get_class_structures.get_class_structures(classes)Parameters
classes: list[dict[str, list[str]]]- List of dicts mapping class IDs to lists of SMARTS patterns.
Returns
dict[str, list[str]]- Merged mapping from class ID to SMARTS pattern list.