def test_properties(self): self.assertEquals(self.kpoint.frac_coords[0], 0.1) self.assertEquals(self.kpoint.frac_coords[1], 0.4) self.assertEquals(self.kpoint.frac_coords[2], -0.5) self.assertEquals(self.kpoint.a, 0.1) self.assertEquals(self.kpoint.b, 0.4) self.assertEquals(self.kpoint.c, -0.5) self.assertEquals(self.lattice, Lattice.cubic(10.0)) self.assertEquals(self.kpoint.cart_coords[0], 1.0) self.assertEquals(self.kpoint.cart_coords[1], 4.0) self.assertEquals(self.kpoint.cart_coords[2], -5.0) self.assertEqual(self.kpoint.label, "X")
def setUp(self): self.lattice = Lattice.cubic(10.0) self.kpoint = Kpoint([0.1, 0.4, -0.5], self.lattice, label = "X")