def test_get_miller_index_from_sites(self):
# test on a cubic system
m = Lattice.cubic(1)
s1 = np.array([0.5, -1.5, 3])
s2 = np.array([0.5, 3., -1.5])
s3 = np.array([2.5, 1.5, -4.])
self.assertEqual(m.get_miller_index_from_coords([s1, s2, s3]),
(2, 1, 1))
# test on a hexagonal system
m = Lattice([[2.319, -4.01662582, 0.], [2.319, 4.01662582, 0.],
[0., 0., 7.252]])
s1 = np.array([2.319, 1.33887527, 6.3455])
s2 = np.array([1.1595, 0.66943764, 4.5325])
s3 = np.array([1.1595, 0.66943764, 0.9065])
hkl = m.get_miller_index_from_coords([s1, s2, s3])
self.assertEqual(hkl, (2, -1, 0))
# test for previous failing structure
m = Lattice([10, 0, 0, 0, 10, 0, 0, 0, 10])
sites = [[0.5, 0.8, 0.8], [0.5, 0.4, 0.2], [0.5, 0.3, 0.7]]
hkl = m.get_miller_index_from_coords(sites, coords_are_cartesian=False)
self.assertEqual(hkl, (1, 0, 0))
# test for more than 3 sites
sites = [[0.5, 0.8, 0.8], [0.5, 0.4, 0.2], [0.5, 0.3, 0.7],
[0.5, 0.1, 0.2]]
hkl = m.get_miller_index_from_coords(sites, coords_are_cartesian=False)
self.assertEqual(hkl, (1, 0, 0))
def test_get_miller_index_from_sites(self):
# test on a cubic system
m = Lattice.cubic(1)
s1 = np.array([0.5, -1.5, 3])
s2 = np.array([0.5, 3., -1.5])
s3 = np.array([2.5, 1.5, -4.])
self.assertEqual(m.get_miller_index_from_coords([s1, s2, s3]),
(2, 1, 1))
# test on a hexagonal system
m = Lattice([[2.319, -4.01662582, 0.],
[2.319, 4.01662582, 0.],
[0., 0., 7.252]])
s1 = np.array([2.319, 1.33887527, 6.3455])
s2 = np.array([1.1595, 0.66943764, 4.5325])
s3 = np.array([1.1595, 0.66943764, 0.9065])
hkl = m.get_miller_index_from_coords([s1, s2, s3])
self.assertEqual(hkl, (2, -1, 0))
# test for previous failing structure
m = Lattice([10, 0, 0, 0, 10, 0, 0, 0, 10])
sites = [[0.5, 0.8, 0.8], [0.5, 0.4, 0.2], [0.5, 0.3, 0.7]]
hkl = m.get_miller_index_from_coords(sites, coords_are_cartesian=False)
self.assertEqual(hkl, (1, 0, 0))
# test for more than 3 sites
sites = [[0.5, 0.8, 0.8], [0.5, 0.4, 0.2], [0.5, 0.3, 0.7],
[0.5, 0.1, 0.2]]
hkl = m.get_miller_index_from_coords(sites, coords_are_cartesian=False)
self.assertEqual(hkl, (1, 0, 0))
