def test_get_distance_and_image_strict(self):
for count in range(10):
lengths = [np.random.randint(1, 100) for i in range(3)]
lattice = [np.random.rand(3) * lengths[i]
for i in range(3)]
lattice = Lattice(np.array(lattice))
f1 = np.random.rand(3)
f2 = np.random.rand(3)
scope = list(range(-3, 4))
min_image_dist = (float("inf"), None)
for image in itertools.product(scope, scope, scope):
cart = lattice.get_cartesian_coords(f1 - (f2 + image))
dist = np.dot(cart, cart) ** 0.5
if dist < min_image_dist[0]:
min_image_dist = (dist, image)
pmg_result = lattice.get_distance_and_image(f1, f2)
self.assertGreaterEqual(min_image_dist[0] + 1e-7, pmg_result[0])
def test_get_distance_and_image_strict(self):
for count in range(10):
lengths = [np.random.randint(1, 100) for i in range(3)]
lattice = [np.random.rand(3) * lengths[i] for i in range(3)]
lattice = Lattice(np.array(lattice))
f1 = np.random.rand(3)
f2 = np.random.rand(3)
scope = list(range(-3, 4))
min_image_dist = (float("inf"), None)
for image in itertools.product(scope, scope, scope):
cart = lattice.get_cartesian_coords(f1 - (f2 + image))
dist = np.dot(cart, cart)**0.5
if dist < min_image_dist[0]:
min_image_dist = (dist, image)
pmg_result = lattice.get_distance_and_image(f1, f2)
self.assertGreaterEqual(min_image_dist[0] + 1e-7, pmg_result[0])
if abs(min_image_dist[0] - pmg_result[0]) < 1e-12:
self.assertArrayAlmostEqual(min_image_dist[1], pmg_result[1])
