class testXtalliate(unittest.TestCase): def setUp(self): self.xtal0 = Xtallite() euler1 = np.array((10,0,0), dtype=np.float64) pt1 = np.array((1,1,1), dtype=np.float64) dv1 = np.array((1,2,3), dtype=np.float64) self.xtal1 = Xtallite(eulers=euler1, pt=pt1, lattice='hexagonal', dv=dv1, stress=np.random.random((3,3)), strain=np.random.random((3,3))) self.xtal1.setEulers(10,20,30) euler2 = np.array((20, 0,30), dtype=np.float64) self.xtal2 = Xtallite(eulers=euler2) self.xtal2.setLattice('hexagonal') euler3 = np.array((20, 0, 0), dtype=np.float64) self.xtal3 = Xtallite(eulers=euler3, lattice='hexagonal') self.xtal4 = Xtallite.random() euler5 = np.array([100, 50, 94], dtype=np.float64) self.xtal5 = Xtallite(eulers=euler5, lattice='hexagonal') def test_toFundamentalZone(self): target1 = np.array([10, 20, 330]) calc1 = self.xtal1.toFundamentalZone() np.testing.assert_almost_equal(calc1, target1) target5 = np.array([100.0, 50.0, 274.0]) calc5 = self.xtal5.toFundamentalZone() np.testing.assert_almost_equal(calc5, target5) def test_disorientation(self): target = 22.33790562470999 calc = self.xtal1.disorientation(self.xtal2) np.testing.assert_almost_equal(calc, target) calc = self.xtal2.disorientation(self.xtal1) np.testing.assert_almost_equal(calc, target) target = 30.0 calc = self.xtal2.disorientation(self.xtal3) np.testing.assert_almost_equal(calc, target) def test_disorientations(self): tmp = [self.xtal1, self.xtal2, self.xtal3] targets = np.array([22.33790562470999, 0.0, 30.0]) calcs = self.xtal2.disorientations(tmp) np.testing.assert_almost_equal(calcs, targets)
class testXtalliate(unittest.TestCase): def setUp(self): self.xtal0 = Xtallite() euler1 = np.array((10, 0, 0), dtype=np.float64) pt1 = np.array((1, 1, 1), dtype=np.float64) dv1 = np.array((1, 2, 3), dtype=np.float64) self.xtal1 = Xtallite(eulers=euler1, pt=pt1, lattice='hexagonal', dv=dv1, stress=np.random.random((3, 3)), strain=np.random.random((3, 3))) self.xtal1.setEulers(10, 20, 30) euler2 = np.array((20, 0, 30), dtype=np.float64) self.xtal2 = Xtallite(eulers=euler2) self.xtal2.setLattice('hexagonal') euler3 = np.array((20, 0, 0), dtype=np.float64) self.xtal3 = Xtallite(eulers=euler3, lattice='hexagonal') self.xtal4 = Xtallite.random() euler5 = np.array([100, 50, 94], dtype=np.float64) self.xtal5 = Xtallite(eulers=euler5, lattice='hexagonal') def test_toFundamentalZone(self): target1 = np.array([10, 20, 330]) calc1 = self.xtal1.toFundamentalZone() np.testing.assert_almost_equal(calc1, target1) target5 = np.array([100.0, 50.0, 274.0]) calc5 = self.xtal5.toFundamentalZone() np.testing.assert_almost_equal(calc5, target5) def test_disorientation(self): target = 22.33790562470999 calc = self.xtal1.disorientation(self.xtal2) np.testing.assert_almost_equal(calc, target) calc = self.xtal2.disorientation(self.xtal1) np.testing.assert_almost_equal(calc, target) target = 30.0 calc = self.xtal2.disorientation(self.xtal3) np.testing.assert_almost_equal(calc, target) def test_disorientations(self): tmp = [self.xtal1, self.xtal2, self.xtal3] targets = np.array([22.33790562470999, 0.0, 30.0]) calcs = self.xtal2.disorientations(tmp) np.testing.assert_almost_equal(calcs, targets)