Source code for schrodinger.structutils.pbc_tools

"""
Glean PBC from a Structure
"""

from schrodinger.infra import structure as infrastructure


def get_pbc(st1, st2, honor_pbc=None):
    """
    If the structures are the same, and have a PBC, then return it. Otherwise,
    return None.

    :type st1: schrodinger.structure.Structure object
    :type st2: schrodinger.structure.Structure object

    :type honor_pbc: bool
    :param honor_pbc: Should a PBC be discovered from the Structure objects?

    :rtype: NoneType or schrodinger.infra.structure.PBC
    """
    pbc = None
    if honor_pbc and (st1 == st2 or st2 is None):
        try:
            pbc = infrastructure.PBC(st1)
        except IndexError:
            # PBC properties are not present or are invalid
            pbc = None
    return pbc