Merge branch 'main' and its testing improvements into add_let

.github/workflows/run_tests.yml

@@ -0,0 +1,30 @@
+name: Run tests
+
+on: [push,workflow_dispatch]
+
+jobs:
+  test:
+    strategy:
+      fail-fast: false
+      matrix:
+        os: [ubuntu-latest, windows-latest]
+
+    runs-on: ${{ matrix.os }}
+
+    steps:
+    - uses: actions/checkout@v3
+
+    - name: Setup Miniconda
+      uses: conda-incubator/[email protected]
+      with:
+        python-version: '3.10'
+        channels: conda-forge
+        miniforge-version: "latest"
+
+    - name: Install tox
+      shell: bash -el {0}
+      run: mamba install tox
+
+    - name: Test with tox
+      shell: bash -el {0}
+      run: tox

pyproject.toml

@@ -1,5 +1,6 @@
 [build-system]
 requires = ["setuptools"]
+build-backend = "setuptools.build_meta"
 
 [project]
 name = 'resolutions_functions'
@@ -27,7 +28,9 @@ dev = [
 ]
 test = [
     "pytest >= 8.3.2",
-    "mantid >= 6.10.0"
+    "mantid >= 6.10.0",
+    "pychop @ git+https://github.com/mducle/pychop.git",
+    "more_itertools >= 10.5.0",
 ]
 
 [project.urls]

tests/integration_tests/test_lagrange.py

@@ -24,13 +24,23 @@ def lagrange_abins_plus_rf_abins_resolution_function(lagrange_rf, request):
     return abins, rf
 
 
-@pytest.mark.parametrize('frequencies',
-                         [np.arange(10, 400, 10), np.arange(100, 1000, 50)])
-def test_lagrange_against_abins(frequencies,
-                                lagrange_abins_plus_rf_abins_resolution_function):
+@pytest.mark.parametrize(
+    "frequencies",
+    [
+        pytest.param(np.arange(100, 1000, 50), id="high frequencies: 100:1000:50"),
+        pytest.param(
+            np.arange(10, 100, 10),
+            id="low frequencies: 10:100:10",
+            marks=pytest.mark.xfail(reason="LAGRANGE low frequencies to be fixed in Abins"),
+        ),
+    ],
+)
+def test_lagrange_against_abins(
+    frequencies, lagrange_abins_plus_rf_abins_resolution_function
+):
     abins, rf = lagrange_abins_plus_rf_abins_resolution_function
 
     actual = rf(frequencies)
     expected = abins.get_sigma(frequencies * MEV_TO_WAVENUMBER) * WAVENUMBER_TO_MEV
 
-    assert_allclose(actual, expected)
+    assert_allclose(actual, expected, rtol=1e-5)

tests/integration_tests/test_pychop.py

@@ -1,4 +1,5 @@
 import itertools
+import warnings
 
 import numpy as np
 from numpy.linalg.linalg import LinAlgError
@@ -70,18 +71,24 @@ def _test_against_abins(abins, rf_2d, setting, matrix):
     abins._pychop_instrument.chopper_system.setFrequency(chopper_frequency)
     abins._pychop_instrument.frequency = chopper_frequency
 
-    try:
-        abins._polyfits = {}
-        expected = abins.calculate_sigma(frequencies * MEV_TO_WAVENUMBER) * WAVENUMBER_TO_MEV
-    except LinAlgError:
-        with pytest.raises(NoTransmissionError):
-            rf_2d.get_resolution_function('PyChop_fit', chopper_package=setting, e_init=energy, chopper_frequency=chopper_frequency)
-    else:
-        rf = rf_2d.get_resolution_function('PyChop_fit', chopper_package=setting, e_init=energy,
-                                           chopper_frequency=chopper_frequency)
-        actual = rf(frequencies)
-
-        assert_allclose(actual, expected, rtol=1e-5)
+    abins._polyfits = {}
+
+    with warnings.catch_warnings():
+        warnings.filterwarnings("error", message="PyChop: tchop\(\): No transmission.*")
+        try:
+            expected = abins.calculate_sigma(frequencies * MEV_TO_WAVENUMBER) * WAVENUMBER_TO_MEV
+
+        except Warning:
+            # Make sure this library agrees it is a no-transmission situation.
+            with pytest.raises(NoTransmissionError):
+                rf_2d.get_resolution_function('PyChop_fit', chopper_package=setting, e_init=energy, chopper_frequency=chopper_frequency
+)
+            return
+
+    rf = rf_2d.get_resolution_function('PyChop_fit', chopper_package=setting, e_init=energy,
+                                       chopper_frequency=chopper_frequency)
+    actual = rf(frequencies)
+    assert_allclose(actual, expected, rtol=1e-5)
 
 
 @pytest.fixture(scope='module',