get_entity_ids# mbgdml.utils.get_entity_ids(atoms_per_mol, num_mol, starting_idx=0, add_to=None)[source]# Generates entity ids for a single species. Note that all of the atoms in each molecule must occur in the same order and be grouped together. Parameters: atoms_per_mol (int) – Number of atoms in the molecule. num_mol (int) – Number of molecules of this type in the system. starting_idx (int) – Number to start entity_id labels. add_to (list) – Entity ids to append new ids to. Returns: Entity ids for a structure. Return type: numpy.ndarray