gen_r_idxs_worker#

mbgdml.mbe.gen_r_idxs_worker(r_prov_specs, r_prov_ids_lower, n_workers)[source]#

Generates the assigned structures for each worker.

Parameters:

  • r_prov_specs (numpy.ndarray, ndim: 2) – Structure provenance IDs. This specifies the r_prov_id, structure index from the r_prov_id source, and entity_ids making up the structure.

  • r_prov_ids_lower (dict {int: str}) – Species an ID (int) to uniquely identifying labels for each lower-order structure if it originated from another source. Labels should always be md5_structures. For example, {0: '6038e101da7fc0085978741832ebc7ad', 1: 'eeaf93dec698de3ecb55e9292bd9dfcb'}.

  • n_workers (int) – Number of parallel workers. Can range from 1 to the number of CPUs available.

Yields:

numpy.ndarray – Structure indices for the worker.