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) – Molecular system in any supported MolSysMT format.

  • skip_digestion (bool, default=False) – Whether to skip MolSysMT’s internal argument digestion mechanism.

Returns:

True if the system has a box defined; otherwise False.

Return type:

bool

Added in version 1.0.0.