molsysmt.pbc.get_shape_from_angles#

molsysmt.pbc.get_shape_from_angles(box_angles, skip_digestion=False)[source]#

Determining box shape from its angles.

Parameters:

  • box_angles (quantity) – Angles (alpha, beta, gamma) with units.

  • skip_digestion (bool, default False) – Whether to skip argument digestion.

Returns:

  • str – Box shape label inferred from the angles.

  • .. versionadded:: 1.0.0