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VALID: checking BornAgain #86

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Merged
andyfaff merged 5 commits into from
Jul 22, 2026
+15 −9
Merged

VALID: checking BornAgain #86

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bb4b188
VALID: checking BornAgain
andyfaff Jul 22, 2026
3f4ba04
VALID: SLDMateria;
andyfaff Jul 22, 2026
c60b499
VALID: SLDMaterial
andyfaff Jul 22, 2026
cd1d2b2
VALID: add a color
andyfaff Jul 22, 2026
9a654b0
STY
andyfaff Jul 22, 2026
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2 changes: 1 addition & 1 deletion .github/workflows/validate_bornagain.yml
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Original file line number Diff line number Diff line change
Expand Up @@ -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: |
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22 changes: 14 additions & 8 deletions validation/scripts/test_bornagain.py
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Original file line number Diff line number Diff line change
Expand Up @@ -4,7 +4,6 @@

import bornagain as ba
from bornagain import angstrom, nm
from bornagain.numpyutil import Arrayf64Converter as dac


def get_sample(slabs):
Expand All @@ -13,16 +12,19 @@ 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)

# use erf transition between layers:
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,
Expand All @@ -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)
Expand Down Expand Up @@ -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

Expand All @@ -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

Expand Down
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