def test_d_equality(self):
a=1.0
b=np.pi/2
v = 1.0
l1 = s.Lattice(a,a,a,b,b,b)
l2 = s.Lattice(a,a,a,b,b,b)
self.assertTrue(l1.issame(l2))
self.assertEqual(l1,l2)
def test_c_star(self):
a = (6,6,9)
b = np.array([90,90,120])*np.pi/180
l = s.Lattice(a,b)
with self.assertRaises(RuntimeError):
l.star
with self.assertRaises(RuntimeError):
l.isstar(l)
def test_b_tensors(self):
a = (6,6,9)
b = np.array([90,90,120])*np.pi/180
l = s.Lattice(a,b)
cmt = np.array([[a[0]**2, a[0]*a[1]*np.cos(b[2]), 0],
[a[0]*a[1]*np.cos(b[2]), a[1]**2, 0],
[0, 0, a[2]**2]])
self.assertAlmostEqual( (l.get_covariant_metric_tensor()-cmt).sum(), 0)
cnt = np.linalg.inv(cmt)
self.assertAlmostEqual( (l.get_contravariant_metric_tensor()-cnt).sum(), 0)
def test_a_init3(self):
a = (1,1,1)
b = np.array([1,1,1])*np.pi/2
v = 1.0
l = s.Lattice(a,b)
self.assertEqual(l.a,a[0])
self.assertEqual(l.b,a[1])
self.assertEqual(l.c,a[2])
self.assertEqual(l.alpha,b[0])
self.assertEqual(l.beta ,b[1])
self.assertEqual(l.gamma,b[2])
self.assertAlmostEqual(l.volume,v) # since 0.9999999999999999 != 1.0
def test_a_init2(self):
a=1.0
b=np.pi/2
v = 1.0
l = s.Lattice(a,a,a,b,b,b) # compute the volume on instantiation
self.assertEqual(l.a,a)
self.assertEqual(l.b,a)
self.assertEqual(l.c,a)
self.assertEqual(l.alpha,b)
self.assertEqual(l.beta,b)
self.assertEqual(l.gamma,b)
self.assertAlmostEqual(l.volume,v) # since 0.9999999999999999 != 1.0