def test_simple_constructor(self):
u1 = UnitCell()
self.assertEquals(u1.a1(), 1)
self.assertEquals(u1.alpha(), 90)
u2 = UnitCell(3,4,5)
self.assertAlmostEquals(u2.b1(),1./3., 10)
self.assertAlmostEquals(u2.alphastar(), 90, 10)
u4 = u2
self.assertAlmostEquals(u4.volume(),1./u2.recVolume(),10)
u2.seta(3);
self.assertAlmostEquals(u2.a(),3,10)
def test_simple_constructor(self):
u1 = UnitCell()
self.assertEquals(u1.a1(), 1)
self.assertEquals(u1.alpha(), 90)
u2 = UnitCell(3, 4, 5)
self.assertAlmostEquals(u2.b1(), 1. / 3., 10)
self.assertAlmostEquals(u2.alphastar(), 90, 10)
u4 = u2
self.assertAlmostEquals(u4.volume(), 1. / u2.recVolume(), 10)
u2.seta(3)
self.assertAlmostEquals(u2.a(), 3, 10)
def test_to_string(self):
unit = UnitCell(3, 3, 3)
expected_str = "UnitCell with lattice parameters: a = 3 b = 3 c = 3 "\
"alpha = 90 beta = 90 gamma = 90"
expected_repr = "UnitCell(3, 3, 3, 90, 90, 90)"
self.assertEqual(expected_str, str(unit))
self.assertEqual(expected_repr, unit.__repr__())
newUnit = eval(unit.__repr__())
self.assertEqual(unit.a(), newUnit.a())
self.assertEqual(unit.b(), newUnit.b())
self.assertEqual(unit.c(), newUnit.c())
self.assertEqual(unit.alpha(), newUnit.alpha())
self.assertEqual(unit.beta(), newUnit.beta())
self.assertEqual(unit.gamma(), newUnit.gamma())
def test_to_string(self):
unit = UnitCell(3,3,3)
expected_str = "UnitCell with lattice parameters: a = 3 b = 3 c = 3 "\
"alpha = 90 beta = 90 gamma = 90"
expected_repr = "UnitCell(3, 3, 3, 90, 90, 90)"
self.assertEqual(expected_str, str(unit))
self.assertEqual(expected_repr, unit.__repr__())
newUnit = eval(unit.__repr__())
self.assertEqual(unit.a(), newUnit.a())
self.assertEqual(unit.b(), newUnit.b())
self.assertEqual(unit.c(), newUnit.c())
self.assertEqual(unit.alpha(), newUnit.alpha())
self.assertEqual(unit.beta(), newUnit.beta())
self.assertEqual(unit.gamma(), newUnit.gamma())
