diff --git a/.github/workflows/validate_bornagain.yml b/.github/workflows/validate_bornagain.yml index 2e82998..59243ec 100644 --- a/.github/workflows/validate_bornagain.yml +++ b/.github/workflows/validate_bornagain.yml @@ -29,7 +29,7 @@ jobs: run: | python3 -m pip install --upgrade pip python3 -m pip install cython pytest build wheel setuptools - python3 -m pip install numpy==1.26.4 matplotlib auditwheel + # python3 -m pip install numpy==1.26.4 matplotlib auditwheel - name: Install BornAgain run: | diff --git a/validation/scripts/test_bornagain.py b/validation/scripts/test_bornagain.py index 6ec82a9..0f92ccc 100644 --- a/validation/scripts/test_bornagain.py +++ b/validation/scripts/test_bornagain.py @@ -4,7 +4,6 @@ import bornagain as ba from bornagain import angstrom, nm -from bornagain.numpyutil import Arrayf64Converter as dac def get_sample(slabs): @@ -13,8 +12,9 @@ def get_sample(slabs): """ # creating materials multi_layer = ba.Sample() + color = (0.1, 0.1, 0.1) - ambient = ba.MaterialBySLD("ma", slabs[0, 1] * 1e-6, 0) + ambient = ba.SLDMaterial("ma", color, slabs[0, 1] * 1e-6, 0) layer = ba.Layer(ambient) multi_layer.addLayer(layer) @@ -22,7 +22,9 @@ def get_sample(slabs): transient = ba.ErfTransient() for slab in slabs[1:-1]: - material = ba.MaterialBySLD("stuff", slab[1] * 1e-6, slab[2] * 1e-6) + material = ba.SLDMaterial( + "stuff", color, slab[1] * 1e-6, slab[2] * 1e-6 + ) # sig: ( # SelfAffineFractalModel self, @@ -32,15 +34,19 @@ def get_sample(slabs): # double maxSpatFrequency=0.5 # ) -> SelfAffineFractalModel - r_autocorr = ba.SelfAffineFractalModel(slab[3] * angstrom, 1.0, 1000 * nm) + r_autocorr = ba.SelfAffineFractalModel( + slab[3] * angstrom, 1.0, 1000 * nm + ) roughness = ba.Roughness(r_autocorr, transient) layer = ba.Layer(material, slab[0] * angstrom, roughness) multi_layer.addLayer(layer) - substrate = ba.MaterialBySLD("msub", slabs[-1, 1] * 1e-6, 0) + substrate = ba.SLDMaterial("msub", color, slabs[-1, 1] * 1e-6, 0) - r_autocorr = ba.SelfAffineFractalModel(slabs[-1, 3] * angstrom, 1.0, 1000 * nm) + r_autocorr = ba.SelfAffineFractalModel( + slabs[-1, 3] * angstrom, 1.0, 1000 * nm + ) roughness = ba.Roughness(r_autocorr, transient) layer = ba.Layer(substrate, roughness) @@ -116,7 +122,7 @@ def resolution_test(slabs, data): simulation = get_simulation_smeared(data[:, 0], data[:, -1], sample) res = simulation.simulate() - R = dac.npArray(res.dataArray()) + R = res.intensities() assert R.shape == data[:, 1].shape @@ -137,7 +143,7 @@ def kernel_test(slabs, data): sample = get_sample(slabs) simulation = get_simulation(data[:, 0], sample) res = simulation.simulate() - R = dac.npArray(res.dataArray()) + R = res.intensities() assert R.shape == data[:, 1].shape