Migdal cox model

.github/workflows/pytest.yml

@@ -19,27 +19,36 @@ jobs:
         # Test coveralls (with numba disabled) and normal pytest
         test: [ 'coveralls', 'pytest', ]
         # Only do coveralls once; pytest on all python versions
-        python-version: [3.8, 3.9, "3.10"]
+        python-version: [3.9, "3.10", "3.11", "3.12"]
         exclude:
-          - python-version: 3.8
+          - python-version: 3.10
             test: coveralls
-          - python-version: 3.9
+          - python-version: 3.11
+            test: coveralls
+          - python-version: 3.12
             test: coveralls
     steps:
       - name: Setup python
-        uses: actions/setup-python@v4
+        uses: actions/setup-python@v5
         with:
           python-version: ${{ matrix.python-version }}
       - name: Checkout repo
-        uses: actions/checkout@v3
+        uses: actions/checkout@v4
+        with:
+          submodules: 'recursive'
       - name: Install requirements for tests
         run: |
+          pip install --upgrade pip
+          # Require setuptools for python3.12 as well
+          pip install setuptools
           # Requirements for running the notebooks as a pytest
           pip install cython ipython
+          pip install jinja2==3.0.3
           pip install nbconvert nbmake pytest-xdist pytest coverage coveralls pytest-cov pytest-notebook ipython_genutils
           # Several optional packages that are imported in the notebooks
           pip install git+https://github.com/XENON1T/laidbax
-          python setup.py develop
+          pip install -e .
+          pip install seaborn matplotlib
       - name: Test package
         if: matrix.test == 'pytest'
         run:

.gitmodules

@@ -0,0 +1,3 @@
+[submodule "wimprates/data/migdal/Cox"]
+	path = wimprates/data/migdal/Cox/cox_submodule
+	url = https://github.com/petercox/Migdal.git

pyproject.toml

@@ -0,0 +1,3 @@
+[build-system]
+requires = ["setuptools"]
+build-backend = "setuptools.build_meta"

requirements.txt

@@ -4,3 +4,4 @@ pandas
 tqdm
 boltons
 numericalunits
+importlib_metadata

setup.py

@@ -1,28 +1,37 @@
 import setuptools
 
-readme = open('README.md').read()
-history = open('HISTORY.md').read().replace('.. :changelog:', '')
-requirements = open('requirements.txt').read().splitlines()
+readme = open("README.md").read()
+history = open("HISTORY.md").read().replace(".. :changelog:", "")
+requirements = open("requirements.txt").read().splitlines()
 
 setuptools.setup(
-    name='wimprates',
-    version='0.5.0',
-    description='Differential rates of WIMP-nucleus scattering',
-    long_description=readme + '\n\n' + history,
-    long_description_content_type='text/markdown',
-    author='Jelle Aalbers',
-    url='https://github.com/jelleaalbers/wimprates',
-    license='MIT',
+    name="wimprates",
+    version="0.5.0",
+    description="Differential rates of WIMP-nucleus scattering",
+    long_description=readme + "\n\n" + history,
+    long_description_content_type="text/markdown",
+    author="Jelle Aalbers",
+    url="https://github.com/jelleaalbers/wimprates",
+    license="MIT",
     packages=setuptools.find_packages(),
-    setup_requires=['pytest-runner'],
+    setup_requires=["pytest-runner"],
     install_requires=requirements,
-    package_dir={'wimprates': 'wimprates'},
-    package_data={'wimprates': [
-        'data/bs/*', 'data/migdal/*', 'data/sd/*', 'data/dme/*']},
-    tests_require=requirements + ['pytest', 'unittest'],
-    keywords='wimp,spin-dependent,spin-independent,bremsstrahlung,migdal',
-    classifiers=['Intended Audience :: Science/Research',
-                 'Development Status :: 3 - Alpha',
-                 'Programming Language :: Python',
-                 'Programming Language :: Python :: 3'],
-    zip_safe=False)
+    package_dir={"wimprates": "wimprates"},
+    package_data={
+        "wimprates": ["data/bs/*", "data/migdal/**", "data/sd/*", "data/dme/*"]
+    },
+    tests_require=requirements + ["pytest", "unittest"],
+    keywords="wimp,spin-dependent,spin-independent,bremsstrahlung,migdal",
+    classifiers=[
+        "Intended Audience :: Science/Research",
+        "Development Status :: 3 - Alpha",
+        "Programming Language :: Python",
+        "Programming Language :: Python :: 3",
+        "Programming Language :: Python :: 3.9",
+        "Programming Language :: Python :: 3.10",
+        "Programming Language :: Python :: 3.11",
+        "Programming Language :: Python :: 3.12",
+    ],
+    python_requires=">=3.9",
+    zip_safe=False,
+)

tests/test_wimprates.py

@@ -40,9 +40,19 @@ def test_spindependent(self):
                 0.00019944698779638946)
 
 
-    def test_migdal(self):
-        self.assertAlmostEqual(wr.rate_wimp_std(1, detection_mechanism='migdal', **self.opts),
+    def test_migdal_Ibe(self):
+        self.assertAlmostEqual(wr.rate_wimp_std(1, detection_mechanism='migdal', migdal_model="Ibe", **self.opts),
                 0.27459766238555017)
+
+
+    def test_migdal_Cox(self):
+        self.assertAlmostEqual(wr.rate_wimp_std(1, detection_mechanism='migdal', migdal_model="Cox", **self.opts),
+                0.2843514286729741)
+
+
+    def test_migdal_Cox_dipole(self):
+        self.assertAlmostEqual(wr.rate_wimp_std(1, detection_mechanism='migdal', migdal_model="Cox", dipole=True, **self.opts),
+                0.30438231874513705)
 
 
     def test_brems(self):
@@ -104,3 +114,6 @@ def test_average_v_earth(self):
             # places=1 means that we get the same results at the first decimal (fine for 500.0<?>)
             places=1
         )
+
+if __name__ == "__main__":
+    unittest.main()

wimprates/__init__.py

@@ -14,4 +14,4 @@
 from .migdal import *
 from .electron import *
 from .summary import *
-
+from .data.migdal.Cox.cox_wrapper import *

wimprates/data/migdal/Cox/cox_wrapper.py

@@ -0,0 +1,51 @@
+"""
+The paths in the code in Peter Cox's package assume the working directory to be
+the root of its package. With this wrapper we change the working dir when computing
+the interpolators, then returning the Migdal class instance once they've been instantiated.
+The working directory is then reset.
+"""
+
+import os
+import sys
+
+import wimprates as wr
+
+from .cox_submodule.Migdal import Migdal
+
+export, __all__ = wr.exporter()
+
+
+@export
+def cox_migdal_model(element: str, **kwargs) -> Migdal:
+    """
+    This function creates a Cox Migdal model for a given element.
+
+    Parameters:
+    - element (str): The element for which the Cox Migdal model is created.
+    - **kwargs: Additional keyword arguments for loading probabilities and total probabilities.
+
+    Returns:
+    - material: The Cox Migdal material object.
+
+    Example usage:
+    cox_migdal_model("carbon", arg1=value1, arg2=value2)
+
+    Note: The Cox's model assumes that the main process is running in its root directory and uses
+        relative paths. Therefore, we need to switch the working directory to the root of the package
+        when computing the interpolators. 
+        This wrapper function changes the working directory temporarily, instantiates the Migdal class, 
+        and then resets the working directory back to its original state.
+    """
+    original_cwd = os.getcwd()
+
+    try:
+        migdal_directory = os.path.join(os.path.dirname(__file__), "cox_submodule")
+        os.chdir(migdal_directory)
+
+        material = Migdal(element)
+        material.load_probabilities(**kwargs)
+        material.load_total_probabilities(**kwargs)
+    finally:
+        os.chdir(original_cwd)
+
+    return material