get_band_ids_by_reaction

nebscape_lib_class.get_band_ids_by_reaction(reaction_id, selected=None)

Return band identifiers for a reaction, optionally filtered by selection.

Parameters:

  • reaction_id (int) – Reaction identifier; in structure queries, match its associated target context. None leaves the reaction unrestricted.

  • selected (bool, optional) – True selects retained bands, false selects dropped bands, and None includes both. Selection does not imply successful NEB convergence. Default: None.

Returns:

list of int – Matching band IDs.