def test_lattice_frac_mesh_two_arr(): """ Test that Lattice.frac_mesh is raising an exception for two input vectors """ lattice = Lattice(np.eye(3)) x = np.linspace(0, 1, num=2) with pytest.raises(ValueError): lattice.frac_mesh(x, x)
def test_lattice_real_mesh_trivial(): """ Test that Lattice.mesh works identically to Lattice.frac_mesh for trivial lattice """ lattice = Lattice(np.eye(3)) x = np.linspace(0, 1, num=8) for frac, real in zip(lattice.frac_mesh(x), lattice.mesh(x)): assert np.allclose(frac, real)
def test_lattice_frac_mesh(): """ Test that Lattice.frac_mesh is working as expected compared to numpy.meshgrid """ lattice = Lattice(np.eye(3)) x = np.linspace(0, 1, num=8) for out, n in zip(lattice.frac_mesh(x), np.meshgrid(x, x, x)): assert np.allclose(out, n)