def test_nematic_order_args():
assert_raises(ValueError, lambda: order.compute_nematic_order(TRAJ2, indices='dog'))
assert_raises(ValueError, lambda: order.compute_nematic_order(TRAJ2, indices='O'))
assert_raises(ValueError, lambda: order.compute_nematic_order(TRAJ2, indices=1))
# Input indices with wrong "shapes".
assert_raises(ValueError, lambda: order.compute_nematic_order(TRAJ2, indices=[[1, [2]], [2]]))
assert_raises(ValueError, lambda: order.compute_nematic_order(TRAJ2, indices=[1, 2, 3]))
def test_nematic_order_args(traj2):
with pytest.raises(ValueError):
order.compute_nematic_order(traj2, indices='dog')
with pytest.raises(ValueError):
order.compute_nematic_order(traj2, indices='O')
with pytest.raises(ValueError):
order.compute_nematic_order(traj2, indices=1)
# Input indices with wrong "shapes".
with pytest.raises(ValueError):
order.compute_nematic_order(traj2, indices=[[1, [2]], [2]])
with pytest.raises(ValueError):
order.compute_nematic_order(traj2, indices=[1, 2, 3])
def test_nematic_order():
assert eq(np.array([1.0, 1.0, 1.0, 0.25, 0.25]),
order.compute_nematic_order(TRAJ2))
assert eq(np.array([1.0, 1.0, 1.0, 0.0]),
order.compute_nematic_order(TRAJ3))
def test_nematic_order(traj2, traj3):
assert eq(np.array([1.0, 1.0, 1.0, 0.25, 0.25]),
order.compute_nematic_order(traj2))
assert eq(np.array([1.0, 1.0, 1.0, 0.0]),
order.compute_nematic_order(traj3))
