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MAINT: add refnx polarisation testing. Normalise layer ordering between pol/unpol #82

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Merged
andyfaff merged 2 commits into from
May 6, 2025
Merged

MAINT: add refnx polarisation testing. Normalise layer ordering between pol/unpol #82

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2e5eb0c
MAINT: add refnx polarisation testing. Normalise layer ordering betwe…
andyfaff May 6, 2025
cdaabe9
MAINT: install refnx from main branch
andyfaff May 6, 2025
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2 changes: 1 addition & 1 deletion .github/workflows/validate_refnx.yml
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Expand Up @@ -31,7 +31,7 @@ jobs:
python3 -m pip install --upgrade pip
python3 -m pip install wheel setuptools
python3 -m pip install numpy scipy cython pytest black
python3 -m pip install refnx
python3 -m pip install git+https://github.com/refnx/refnx.git@main

- name: Validate
run: |
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3 changes: 1 addition & 2 deletions validation/scripts/test_genx.py
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Expand Up @@ -201,8 +201,7 @@ def kernel_test_pol(slabs, data, backend):
magn_ang=theta,
)
)
# layers.reverse() # the layer order in pol tests
# is currently reversed compared to unpol
layers.reverse()
stack = model.Stack(Layers=list(layers[1:-1]), Repetitions=1)
sample = model.Sample(
Stacks=[stack], Ambient=layers[-1], Substrate=layers[0]
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2 changes: 1 addition & 1 deletion validation/scripts/test_refl1d.py
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Expand Up @@ -132,7 +132,7 @@ def test_pol_refl1d(nsd, backend):
"""
test_name, slabs, data, AGUIDE, H = nsd

Rmm, Rmp, Rpm, Rpp = pol_kernel_test(slabs[::-1], data, AGUIDE, H, backend)
Rmm, Rmp, Rpm, Rpp = pol_kernel_test(slabs, data, AGUIDE, H, backend)


def pol_kernel_test(slabs, data, AGUIDE, H, backend):
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80 changes: 78 additions & 2 deletions validation/scripts/test_refnx.py
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Expand Up @@ -2,9 +2,16 @@
import warnings
import pytest
import numpy as np
from test_discovery import get_test_data
from test_discovery import get_test_data, get_polarised_test_data

from refnx.reflect import use_reflect_backend, SLD, ReflectModel, Structure
from refnx.reflect import (
use_reflect_backend,
SLD,
ReflectModel,
Structure,
MagneticSlab,
PolarisedReflectModel,
)


# cython backend may or may not be present on all systems
Expand Down Expand Up @@ -78,6 +85,75 @@ def resolution_test(slabs, data, backend):
np.testing.assert_allclose(R, data[:, 1], rtol=0.03)


pol_tests = list(get_polarised_test_data())
pol_ids = [f"{t[0]}" for t in pol_tests]


@pytest.mark.parametrize("nsd", pol_tests, ids=pol_ids)
def test_refnx_pol(nsd):
"""
Run validation for genx.

Parameters
----------
nsd: tuple
test_name, slabs, data
"""
# NCOLS of data:
# 2 - test kernel only
# 3 - test kernel and chi2 calculation
# 4 - test resolution smearing and chi2 calculation
test_name, slabs, data, AGUIDE, H = nsd
if H > 0:
pytest.skip("refnx does not support Zeeman splitting (yet)")
return

slabs = np.array(slabs)
kernel_test_pol(slabs, data, AGUIDE)


def kernel_test_pol(slabs, data, AGUIDE):
"""
Test the polarised reflectivity kernel for refnx.

Parameters
----------
slabs: np.ndarray
Slab representation of the system
data: np.ndarray
Q, R arrays (--, -+, +-, ++)
AGUIDE: float
AGUIDE (degrees)
"""
Q = data[:, 0]
npts = len(Q)

layers = []
for thickness, rsld, isld, theta, sldm, sigma in slabs:
slab = MagneticSlab(
thickness, rsld + 1j * isld, sigma, sldm, thetaM=theta
)
layers.append(slab)
s = Structure(components=layers)
model = PolarisedReflectModel(s, bkgs=0.0, dq=0.0, Aguide=AGUIDE)
qq = np.full((len(Q) * 4, 4), np.nan)
qq[0:npts, 0] = Q
qq[npts : 2 * npts, 1] = Q
qq[2 * npts : 3 * npts, 2] = Q
qq[3 * npts : 4 * npts, 3] = Q
R = model(qq)
Ruu = R[0:npts]
Rud = R[npts : 2 * npts]
Rdu = R[2 * npts : 3 * npts]
Rdd = R[3 * npts : 4 * npts]
np.testing.assert_allclose(Ruu, data[:, 4], rtol=8e-5)
np.testing.assert_allclose(Rdd, data[:, 1], rtol=8e-5)
np.testing.assert_allclose(Rud, data[:, 3], rtol=8e-5)
np.testing.assert_allclose(Rdu, data[:, 2], rtol=8e-5)


if __name__ == "__main__":
for nsd, backend in tests_backends:
test_refnx(nsd, backend)
for nsd, backend in pol_tests_backends:
test_refnx_pol(nsd, backend)
6 changes: 3 additions & 3 deletions validation/test/polarised/layers/test0.layers
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@@ -1,5 +1,5 @@
#thickness sld mu thetaM sldm roughness
0.000 0.000 0.000 90.00 0.000 0.000
50.00 4.000 0.000 90.00 0.000 0.000
0.000 2.070 0.000 90.00 0.000 0.000
825.0 9.060 0.000 90.00 0.000 0.000
0.000 2.070 0.000 90.00 0.000 0.000
50.00 4.000 0.000 90.00 0.000 0.000
0.000 0.000 0.000 90.00 0.000 0.000
6 changes: 3 additions & 3 deletions validation/test/polarised/layers/test1.layers
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@@ -1,5 +1,5 @@
#thickness sldn sldi thetaM sldm roughness
0 4 0 90.00 0 0
200 2 0 90.00 1 0
200 4 0 180.0 1 0
0 0 0 90.00 0 0
200 4 0 180.0 1 0
200 2 0 90.00 1 0
0 4 0 90.00 0 0
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