Merge pull request #100 from andyfaff/various

MAINT: various

Author: andyfaff

.github/workflows/release.yml

@@ -0,0 +1,67 @@
+# This action releases refnx on PyPI for every version tagged commit (e.g. v0.0.1)
+name: PyPI/Github Release
+
+on:
+  push:
+    tags:
+      - "v*"
+
+jobs:
+  make_sdist:
+    name: Make sdist
+    runs-on: ubuntu-latest
+    steps:
+    - uses: actions/checkout@08c6903cd8c0fde910a37f88322edcfb5dd907a8 # v5.0.0
+
+    - name: Build sdist
+      run: pipx run build --sdist
+
+    - uses: actions/upload-artifact@ea165f8d65b6e75b540449e92b4886f43607fa02 # v4.6.2
+      with:
+        name: wheels-sdist
+        path: dist/*.tar.gz
+
+
+  pypi-publish:
+    name: Upload release to PyPI
+    runs-on: ubuntu-latest
+    needs: [ make_sdist ]
+    environment:
+      name: pypi
+      url: https://pypi.org/p/refellips
+    permissions:
+      id-token: write  # IMPORTANT: this permission is mandatory for trusted publishing
+
+    steps:
+    - uses: actions/download-artifact@634f93cb2916e3fdff6788551b99b062d0335ce0 # v5.0.0
+      with:
+        pattern: wheels-*
+        merge-multiple: true
+        path: dist
+
+    - name: Upload to PyPI
+      uses: pypa/gh-action-pypi-publish@76f52bc884231f62b9a034ebfe128415bbaabdfc # v1.12.4
+      with:
+        # repository-url: https://test.pypi.org/legacy/
+        skip_existing: true
+
+
+  release-github:
+    runs-on: ubuntu-latest
+    needs: [ pypi-publish ]
+
+    steps:
+    - uses: actions/checkout@08c6903cd8c0fde910a37f88322edcfb5dd907a8 # v5.0.0
+
+    - uses: actions/download-artifact@634f93cb2916e3fdff6788551b99b062d0335ce0 # v5.0.0
+      with:
+        pattern: wheels-*
+        merge-multiple: true
+        path: dist
+
+    - uses: ncipollo/release-action@bcfe5470707e8832e12347755757cec0eb3c22af # v1.18.0
+      with:
+        artifacts: "dist/refellips*.tar.gz"
+        token: ${{ secrets.GITHUB_TOKEN }}
+        allowUpdates: true
+        generateReleaseNotes: true

.github/workflows/test.yml

@@ -11,7 +11,7 @@ jobs:
     strategy:
       max-parallel: 3
       matrix:
-        python-version: ["3.10", "3.11", "3.12"]
+        python-version: ["3.11", "3.12", "3.13"]
 
     steps:
     - uses: actions/checkout@v4
@@ -42,7 +42,7 @@ jobs:
     runs-on: ubuntu-latest
     strategy:
       matrix:
-        python-version: ["3.11"]
+        python-version: ["3.12"]
 
     steps:
     - uses: actions/checkout@v4
@@ -66,7 +66,7 @@ jobs:
     strategy:
       max-parallel: 1
       matrix:
-        python-version: ["3.10"]
+        python-version: ["3.13"]
 
     steps:
     - uses: actions/checkout@v4
@@ -95,7 +95,7 @@ jobs:
     strategy:
       max-parallel: 1
       matrix:
-        python-version: ["3.11"]
+        python-version: ["3.13"]
 
     steps:
       - uses: actions/checkout@v4

CHANGELOG.txt

@@ -16,3 +16,4 @@ First release on PyPI
 
 0.0.6
 -----
+- added circular_difference to calculate shortest difference between two angles.

pyproject.toml

@@ -1,4 +1,8 @@
 [project]
 requires-python = ">=3.9"
 name = "refellips"
-dynamic=["version", "description", "readme", "license", "classifiers", "urls", "authors"]
+dynamic=["version", "description", "readme", "license", "classifiers", "urls", "authors"]
+
+[tool.black]
+line-length = 79
+extend-exclude="refnx/_lib/emcee/|refnx/_lib/ptemcee/|benchmarks"

refellips/reflect_modelSE.py

@@ -238,16 +238,26 @@ def Delta_Psi_TMM(AOI, layers, wavelength, delta_offset, reflect_delta=False):
         Wavelength of light. Units = nm
     layers: np.ndarray
         coefficients required for the calculation, has shape (2 + N, 4),
-        where N is the number of layers
-        layers[0, 1] - refractive index of fronting
-        layers[0, 2] - extinction coefficent of fronting
-        layers[N, 0] - thickness of layer N
-        layers[N, 1] - refractive index of layer N
-        layers[N, 2] - extinction coefficent of layer N
-        layers[N, 3] - roughness between layer N-1/N (IGNORED!)
-        layers[-1, 1] - refractive index of backing
-        layers[-1, 2] - extinction coefficent of backing
-        layers[-1, 3] - roughness between backing and last layer (IGNORED!)
+        where N is the number of layers.
+
+        - layers[0, 1]
+            refractive index of fronting
+        - layers[0, 2]
+            extinction coefficent of fronting
+        - layers[N, 0]
+            thickness of layer N
+        - layers[N, 1]
+            refractive index of layer N
+        - layers[N, 2]
+            extinction coefficent of layer N
+        - layers[N, 3]
+            roughness between layer N-1/N (IGNORED!)
+        - layers[-1, 1]
+            refractive index of backing
+        - layers[-1, 2]
+            extinction coefficent of backing
+        - layers[-1, 3]
+            roughness between backing and last layer (IGNORED!)
 
     Returns
     -------
@@ -288,7 +298,7 @@ class ReflectModelSE:
     r"""
     Parameters
     ----------
-    structure : refnx.reflect.Structure
+    structure : refellips.StructureSE
         The interfacial structure.
     name : str, optional
         Name of the Model

refellips/structureSE.py

@@ -268,7 +268,7 @@ def parameters(self):
 
     def slabs(self, structure=None):
         """
-        Slab representation of this component. See :class:`Component.slabs`
+        Slab representation of this component. See :class:`ComponentSE.slabs`
         """
         # speculative shortcut to prevent a number of attribute retrievals
         if self.ri.dispersive: