Beispiel #1
0
 def test_eps(self):
     """Test the P_cif.eps coordinates resolution.
     """
     pcif = P_cif()
     pcif.eps = 1e-8
     grph = pcif.parseFile(self.graphiteciffile)
     self.assertEqual(8, len(grph))
     self.assertTrue(all(a.label.startswith('C1') for a in grph[:2]))
     self.assertTrue(all(a.label.startswith('C2') for a in grph[2:]))
     pcif2 = P_cif()
     pcif2.eps = 1e-3
     grph2 = pcif2.parseFile(self.graphiteciffile)
     self.assertEqual(4, len(grph2))
     return