Esempio n. 1
0
 def test_angle(self):
     """check Structure.angle()
     """
     cdse = Structure(filename=cdsefile)
     cdse.assignUniqueLabels()
     self.assertEqual(109, round(cdse.angle(0, 2, 1)))
     self.assertEqual(109, round(cdse.angle("Cd1", "Se1", "Cd2")))
     return