mooonpy.molspace.rings module

class mooonpy.molspace.rings.Ring(in_set=None, mol=None)[source]

Bases: object

Object containing molfile info for a simulation box as well as a dictionary contining atom objects for each ring

get_CoM()[source]

get_centroid()[source]

reset_ring_image()[source]

mooonpy.molspace.rings.get_rings(mol, ring_sizes=(5, 6, 7))[source]: Returns a list of Ring objects :param mol: Molspace file with bonds :param ring_sizes: N-membered rings to find :return: list of Ring objects