Source code for sknano.core.molecules._molecule
# -*- coding: utf-8 -*-
"""
===============================================================================
Base class for structure molecule (:mod:`sknano.core.molecules._molecule`)
===============================================================================
.. currentmodule:: sknano.core.molecules._molecule
"""
from __future__ import absolute_import, division, print_function
from __future__ import unicode_literals
__docformat__ = 'restructuredtext en'
# from collections import OrderedDict
from functools import total_ordering
# import numbers
# import numpy as np
from sknano.core import BaseClass
# from sknano.core.math import Vector
__all__ = ['Molecule']
@total_ordering
[docs]class Molecule(BaseClass):
"""Base class for abstract representation of molecule.
Parameters
----------
atoms : {None, sequence, `Atoms`}, optional
if not `None`, then a list of `Atom` instances or an
`Atoms` instance.
"""
def __init__(self, atoms=None, **kwargs):
super().__init__(**kwargs)
self.atoms = atoms
self.fmtstr = "atoms={atoms!r}"
def __eq__(self, other):
"""Test equality of two `Molecule` object instances."""
return self is other or self.atoms == other.atoms
def __lt__(self, other):
"""Test if `self` is *less than* `other`."""
return self.atoms < other.atoms