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)