get_structures

nebscape_lib_class.get_structures(kind=None, target_kind=None, target_id=None, parent_structure_id=None)

Return structures matching the requested kind and target.

Parameters:

  • kind (str or int, optional) – Structure kind: selected_placement, minhop_minimum, interpolation_image, neb_image, aligned_fs, relaxed_fs, mapped_is, mapped_fs, or a stored code. None includes all kinds. Default: None.

  • target_kind (str or int, optional) – Target kind: molecule (isolated adsorbate), reaction_side (combined side), or a stored code. None includes all target kinds. Default: None.

  • target_id (int, optional) – Identifier within the selected target kind; None leaves it unrestricted. Default: None.

  • parent_structure_id (int, optional) – Input or parent structure identifier; None includes all parents. Default: None.

Returns:

list of nebscape_structure_class – Matching record views; an empty list if no matching records are available.