get_band_endpoint_analysis

nebscape_lib_class.get_band_endpoint_analysis(reaction_id=None, mapping_id=None, pair_id=None)

Return band endpoint analysis.

Parameters:

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

  • mapping_id (int, optional) – Identifier of the atom mapping. Default: None.

  • pair_id (int, optional) – Identifier of the geometry pair. Default: None.

Returns:

list of dict – One dictionary per matching record; an empty list when none match.