get_registry_members

environment_lib_class.get_registry_members(stateID=None, procID=None, atomID=None, rsp=None, cluster_id=None, temporary=False)

Select descriptor registry indices using structure and cluster filters.

Parameters:

  • stateID (int or sequence of int, optional) – State identifier in /States. Filters accept a scalar, a sequence, or None for no restriction. Default: None.

  • procID (int or sequence of int, optional) – Process identifier within the selected state. Filters accept a scalar, a sequence, or None for no restriction. Default: None.

  • atomID (int or sequence of int, optional) – Atom index within the source structure; None leaves the atom selection unrestricted. Filters accept a scalar, a sequence, or None for no restriction. Default: None.

  • rsp (int or sequence of int, optional) – Structure selector: 0 for reactant, 1 for saddle, 2 for product. Filters accept a scalar, a sequence, or None for no restriction. Default: None.

  • cluster_id (int or sequence of int, optional) – Cluster identifier to select. Filters accept a scalar, a sequence, or None for no restriction. Default: None.

  • temporary (bool, optional) – Use temporary cluster assignments instead of final cluster assignments. Default: False.

Returns:

numpy.ndarray – One-dimensional integer array of matching registry indices.