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)
Exemple #2
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 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)