molsysmt.pbc.has_pbc#

molsysmt.pbc.has_pbc(molecular_system, skip_digestion=False)[source]#

Check whether a molecular system has periodic boundary conditions (box).

Parameters:
  • molecular_system (molecular system) – System to inspect.

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

Returns:

  • boolTrue if the system has a box defined; otherwise False.

  • .. versionadded:: 1.0.0