def test_bcc(self):
lvs = get_base(self.lc2)
target = np.eye(3)
np.testing.assert_almost_equal(lvs, target)
target = np.eye(3)*2*np.pi
rlvs = get_reciprocal_base(self.lc2)
np.testing.assert_almost_equal(rlvs, target)
def test_bcc(self):
lvs = get_base(self.lc2)
target = np.eye(3)
np.testing.assert_almost_equal(lvs, target)
target = np.eye(3) * 2 * np.pi
rlvs = get_reciprocal_base(self.lc2)
np.testing.assert_almost_equal(rlvs, target)
def test_hcp(self):
lvs = get_base(self.lc1)
rlvs = get_reciprocal_base(self.lc1)
target_v = np.array([[+0.2950800, -0.1475400, +0.0000000],
[+0.0000000, +0.2555468, +0.0000000],
[+0.0000000, +0.0000000, +0.4685500]])
target_rv = np.array([[+21.293159, +0.000000, +0.000000],
[+12.293611, +24.587222, -0.000000],
[-0.000000, -0.000000, +13.409850]])
# test real lattice
np.testing.assert_almost_equal(lvs, target_v)
# test reciprocal lattice
np.testing.assert_almost_equal(rlvs, target_rv, decimal=6)
def test_hcp(self):
lvs = get_base(self.lc1)
rlvs = get_reciprocal_base(self.lc1)
target_v = np.array([
[+0.2950800, -0.1475400, +0.0000000],
[+0.0000000, +0.2555468, +0.0000000],
[+0.0000000, +0.0000000, +0.4685500]])
target_rv = np.array([
[+21.293159, +0.000000, +0.000000],
[+12.293611, +24.587222, -0.000000],
[-0.000000, -0.000000, +13.409850]])
# test real lattice
np.testing.assert_almost_equal(lvs, target_v)
# test reciprocal lattice
np.testing.assert_almost_equal(rlvs, target_rv, decimal=6)
