From bb4b188f93bcbc26a51490f52b5662489f84f03b Mon Sep 17 00:00:00 2001 From: Andrew Nelson Date: Wed, 22 Jul 2026 12:40:53 +1000 Subject: [PATCH 1/5] VALID: checking BornAgain --- validation/scripts/test_bornagain.py | 5 ++--- 1 file changed, 2 insertions(+), 3 deletions(-) diff --git a/validation/scripts/test_bornagain.py b/validation/scripts/test_bornagain.py index 6ec82a9..81c4a8b 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): @@ -116,7 +115,7 @@ 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 +136,7 @@ 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 From 3f4ba0467eca6f46c55f006f8f6d0fca3348945a Mon Sep 17 00:00:00 2001 From: Andrew Nelson Date: Wed, 22 Jul 2026 12:44:28 +1000 Subject: [PATCH 2/5] VALID: SLDMateria; --- .github/workflows/validate_bornagain.yml | 2 -- validation/scripts/test_bornagain.py | 6 +++--- 2 files changed, 3 insertions(+), 5 deletions(-) diff --git a/.github/workflows/validate_bornagain.yml b/.github/workflows/validate_bornagain.yml index 2e82998..2bc066c 100644 --- a/.github/workflows/validate_bornagain.yml +++ b/.github/workflows/validate_bornagain.yml @@ -28,8 +28,6 @@ jobs: - name: Install Python packages 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 - name: Install BornAgain run: | diff --git a/validation/scripts/test_bornagain.py b/validation/scripts/test_bornagain.py index 81c4a8b..d8737fd 100644 --- a/validation/scripts/test_bornagain.py +++ b/validation/scripts/test_bornagain.py @@ -13,7 +13,7 @@ def get_sample(slabs): # creating materials multi_layer = ba.Sample() - ambient = ba.MaterialBySLD("ma", slabs[0, 1] * 1e-6, 0) + ambient = ba.SLDMaterial("ma", slabs[0, 1] * 1e-6, 0) layer = ba.Layer(ambient) multi_layer.addLayer(layer) @@ -21,7 +21,7 @@ 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", slab[1] * 1e-6, slab[2] * 1e-6) # sig: ( # SelfAffineFractalModel self, @@ -37,7 +37,7 @@ def get_sample(slabs): multi_layer.addLayer(layer) - substrate = ba.MaterialBySLD("msub", slabs[-1, 1] * 1e-6, 0) + substrate = ba.SLDMaterial("msub", slabs[-1, 1] * 1e-6, 0) r_autocorr = ba.SelfAffineFractalModel(slabs[-1, 3] * angstrom, 1.0, 1000 * nm) From c60b499cb9566af8fd2612d845252410aeef31ce Mon Sep 17 00:00:00 2001 From: Andrew Nelson Date: Wed, 22 Jul 2026 12:45:28 +1000 Subject: [PATCH 3/5] VALID: SLDMaterial --- .github/workflows/validate_bornagain.yml | 2 ++ 1 file changed, 2 insertions(+) diff --git a/.github/workflows/validate_bornagain.yml b/.github/workflows/validate_bornagain.yml index 2bc066c..59243ec 100644 --- a/.github/workflows/validate_bornagain.yml +++ b/.github/workflows/validate_bornagain.yml @@ -28,6 +28,8 @@ jobs: - name: Install Python packages 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 - name: Install BornAgain run: | From cd1d2b2cd3d7d982d5664fcffd9d287f9c2bc836 Mon Sep 17 00:00:00 2001 From: Andrew Nelson Date: Wed, 22 Jul 2026 12:49:22 +1000 Subject: [PATCH 4/5] VALID: add a color --- validation/scripts/test_bornagain.py | 7 ++++--- 1 file changed, 4 insertions(+), 3 deletions(-) diff --git a/validation/scripts/test_bornagain.py b/validation/scripts/test_bornagain.py index d8737fd..79cb9b4 100644 --- a/validation/scripts/test_bornagain.py +++ b/validation/scripts/test_bornagain.py @@ -12,8 +12,9 @@ def get_sample(slabs): """ # creating materials multi_layer = ba.Sample() + color = (0.1, 0.1, 0.1) - ambient = ba.SLDMaterial("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) @@ -21,7 +22,7 @@ def get_sample(slabs): transient = ba.ErfTransient() for slab in slabs[1:-1]: - material = ba.SLDMaterial("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, @@ -37,7 +38,7 @@ def get_sample(slabs): multi_layer.addLayer(layer) - substrate = ba.SLDMaterial("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) From 9a654b0f6a66c7c76629244ca421e9b65f033159 Mon Sep 17 00:00:00 2001 From: Andrew Nelson Date: Wed, 22 Jul 2026 12:51:26 +1000 Subject: [PATCH 5/5] STY --- validation/scripts/test_bornagain.py | 12 +++++++++--- 1 file changed, 9 insertions(+), 3 deletions(-) diff --git a/validation/scripts/test_bornagain.py b/validation/scripts/test_bornagain.py index 79cb9b4..0f92ccc 100644 --- a/validation/scripts/test_bornagain.py +++ b/validation/scripts/test_bornagain.py @@ -22,7 +22,9 @@ def get_sample(slabs): transient = ba.ErfTransient() for slab in slabs[1:-1]: - material = ba.SLDMaterial("stuff", color, slab[1] * 1e-6, slab[2] * 1e-6) + material = ba.SLDMaterial( + "stuff", color, slab[1] * 1e-6, slab[2] * 1e-6 + ) # sig: ( # SelfAffineFractalModel self, @@ -32,7 +34,9 @@ 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) @@ -40,7 +44,9 @@ def get_sample(slabs): 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)