def test_bs_insert_jump_fail(self):
g = geom.graphene()
nk = 10
bs = BandStructure(g,
[[0] * 3, [0.5, 0, 0], None, [0] * 3, [0., 0.5, 0]],
nk, ['A', 'B', 'C', 'D'])
d = np.empty([nk + 1])
with pytest.raises(ValueError):
bs.insert_jump(d)
def test_bs_insert_jump(self):
g = geom.graphene()
nk = 10
bs = BandStructure(
g, [[0] * 3, [0.5, 0, 0], None, [0] * 3, None, [0., 0.5, 0]], nk,
['A', 'B', 'C', 'D'])
d = np.empty([nk])
d_jump = bs.insert_jump(d)
assert d_jump.shape == (nk + 2, )
d = np.empty([nk, 5])
d_jump = bs.insert_jump(d)
assert d_jump.shape == (nk + 2, 5)
assert np.isnan(d_jump).sum() == 10
d_jump = bs.insert_jump(d.T, value=np.inf)
assert d_jump.shape == (5, nk + 2)
assert np.isinf(d_jump).sum() == 10