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))