diff --git a/diffsims/tests/test_generators/test_library_generator.py b/diffsims/tests/test_generators/test_library_generator.py index 6cbaa04e..e1a56361 100644 --- a/diffsims/tests/test_generators/test_library_generator.py +++ b/diffsims/tests/test_generators/test_library_generator.py @@ -27,7 +27,7 @@ @pytest.fixture def diffraction_calculator(): - return DiffractionGenerator(300.0, 0.02) + return DiffractionGenerator(300.0) @pytest.fixture diff --git a/diffsims/tests/test_utils/test_sim_utils.py b/diffsims/tests/test_utils/test_sim_utils.py index 5992d6cc..44c7fa18 100644 --- a/diffsims/tests/test_utils/test_sim_utils.py +++ b/diffsims/tests/test_utils/test_sim_utils.py @@ -90,7 +90,6 @@ def test_kinematic_simulator_plane_wave(): sim = simulate_kinematic_scattering( atomic_coordinates, "Si", 300.0, simulation_size=32 ) - # assert isinstance(sim, ElectronDiffraction) def test_kinematic_simulator_gaussian_probe(): @@ -102,7 +101,6 @@ def test_kinematic_simulator_gaussian_probe(): simulation_size=32, illumination="gaussian_probe", ) - # assert isinstance(sim, ElectronDiffraction) def test_kinematic_simulator_xtables_scattering_params(): @@ -115,7 +113,6 @@ def test_kinematic_simulator_xtables_scattering_params(): illumination="gaussian_probe", scattering_params="xtables", ) - # assert isinstance(sim, ElectronDiffraction) @pytest.mark.xfail(raises=NotImplementedError) @@ -129,7 +126,6 @@ def test_kinematic_simulator_invalid_scattering_params(): illumination="gaussian_probe", scattering_params="_empty", ) - # assert isinstance(sim, ElectronDiffraction) @pytest.mark.xfail(raises=ValueError) @@ -138,7 +134,6 @@ def test_kinematic_simulator_invalid_illumination(): sim = simulate_kinematic_scattering( atomic_coordinates, "Si", 300.0, simulation_size=32, illumination="gaussian" ) - # assert isinstance(sim, ElectronDiffraction) @pytest.mark.parametrize( @@ -149,7 +144,7 @@ def test_uvtw_to_uvw(uvtw, uvw): val = uvtw_to_uvw(uvtw) np.testing.assert_almost_equal(val, uvw) - + class TestHolzCalibration: def test_get_holz_angle(self): wavelength = 2.51 / 1000 @@ -332,9 +327,8 @@ def test_get_kinematical_intensities(default_structure): default_structure, g_indices=unique_hkls, g_hkls_array=g_hkls_array, - debye_waller_factors={1:1}, - multiplicites=multiplicites, - scattering_params="lobato", - shape_factor=1, + debye_waller_factors={"Al":1}, + prefactor=multiplicites, + scattering_params="lobato" ) np.testing.assert_array_almost_equal(i_hkls, ([43.0979]), decimal=4)