test_scaffold.py 文件源码

def test_gen_speckle(self):
        c = Specie("Cu")
        t = Specie("Ti")
        sites   = [[[c, c],
                    [t, t]],

                   [[c, t],
                    [t, c]]]
        sg = SitesGrid(sites)
        gen = CStru.gen_speckle(self.m, Specie("Cu"), (2,2,2), Specie("Ti"), 4)
        from collections import Iterator
        self.assertIsInstance(gen, Iterator)
        self.assertIn(CStru(self.m, sg), gen)
        self.assertEqual(next(gen).get_array().sum(), 204)
        self.assertEqual(next(gen).get_array().sum(), 204)