ad-hoc-diffractometer 0.3.1__tar.gz

ad_hoc_diffractometer-0.3.1/.copyright.txt

@@ -0,0 +1,2 @@
+Copyright (c) 2026 Pete R. Jemian <prjemian+ad_hoc_diffractometer@gmail.com>
+SPDX-License-Identifier: CC-BY-4.0

ad_hoc_diffractometer-0.3.1/.github/dependabot.yml

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+# Set update schedule for GitHub Actions
+# https://docs.github.com/en/code-security/dependabot/working-with-dependabot/keeping-your-actions-up-to-date-with-dependabot
+# https://docs.github.com/code-security/dependabot/dependabot-version-updates/configuration-options-for-the-dependabot.yml-file
+
+version: 2
+updates:
+  - package-ecosystem: "github-actions"
+    directory: "/"
+    schedule:
+      # Check for updates to GitHub Actions every week
+      interval: "weekly"

ad_hoc_diffractometer-0.3.1/.github/workflows/docs.yml

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+name: Publish Sphinx Docs to GitHub Pages
+
+on:
+  push:
+    branches:
+      - main
+    tags:
+      - '*'
+  pull_request:
+    branches:
+      - main
+  workflow_dispatch:
+    inputs:
+      deploy:
+        description: 'Deploy documentation'
+        type: boolean
+        required: true
+        default: false
+
+concurrency:
+  group: ${{ github.workflow }}-${{ github.ref }}
+  cancel-in-progress: true
+
+permissions:
+  contents: write
+
+jobs:
+
+  docs:
+    name: Build and publish documentation
+    runs-on: ubuntu-latest
+
+    steps:
+
+      - name: Checkout
+        uses: actions/checkout@v6
+        with:
+          fetch-depth: 0  # full history so hatch-vcs can read git tags
+
+      - name: Set up Python
+        uses: actions/setup-python@v6
+        with:
+          python-version: "3.12"
+          cache: pip
+
+      - name: Install pandoc
+        run: |
+          sudo apt-get update
+          sudo apt-get install -y pandoc
+
+      - name: Install package with doc dependencies
+        run: pip install -e .[doc]
+
+      - name: Determine DOC_VERSION
+        run: |
+          if [[ "${GITHUB_REF}" == refs/tags/* ]]; then
+            VERSION="${GITHUB_REF#refs/tags/}"
+          else
+            VERSION="latest"
+          fi
+          echo "DOC_VERSION=${VERSION}" >> "${GITHUB_ENV}"
+          echo "Publishing docs as: ${VERSION}"
+
+      - name: Build Sphinx documentation
+        # Note: -W (warnings-as-errors) is intentionally omitted here.
+        # Pre-existing docstring formatting issues produce AutoAPI warnings
+        # that are tracked separately and will be fixed in Phase 2 content work.
+        run: |
+          python3 -m sphinx -b html docs/source docs/build/html
+
+      - name: Upload docs as workflow artifact
+        uses: actions/upload-artifact@v7
+        with:
+          name: docs-${{ env.DOC_VERSION }}
+          path: docs/build/html
+
+      - name: Deploy to gh-pages — latest/ (main push)
+        uses: peaceiris/actions-gh-pages@v4
+        if: github.event_name == 'push' && github.ref == 'refs/heads/main'
+        with:
+          github_token: ${{ secrets.GITHUB_TOKEN }}
+          publish_branch: gh-pages
+          publish_dir: docs/build/html
+          destination_dir: latest
+          keep_files: true
+
+      - name: Deploy to gh-pages — <version>/ (tag push)
+        uses: peaceiris/actions-gh-pages@v4
+        if: github.event_name == 'push' && startsWith(github.ref, 'refs/tags/')
+        with:
+          github_token: ${{ secrets.GITHUB_TOKEN }}
+          publish_branch: gh-pages
+          publish_dir: docs/build/html
+          destination_dir: ${{ env.DOC_VERSION }}
+          keep_files: true
+
+      - name: Update switcher.json on tag push
+        if: github.event_name == 'push' && startsWith(github.ref, 'refs/tags/')
+        run: |
+          set -euo pipefail
+          VERSION="${DOC_VERSION}"
+
+          # Clone gh-pages to update switcher.json
+          git clone --branch gh-pages --depth 1 \
+            "https://x-access-token:${{ secrets.GITHUB_TOKEN }}@github.com/${{ github.repository }}.git" \
+            gh-pages-clone
+
+          SWITCHER="gh-pages-clone/latest/_static/switcher.json"
+
+          # If switcher.json doesn't exist yet, bootstrap from source
+          if [ ! -f "${SWITCHER}" ]; then
+            mkdir -p "$(dirname ${SWITCHER})"
+            cp docs/source/_static/switcher.json "${SWITCHER}"
+          fi
+
+          # Update switcher.json.
+          # Pre-releases (rcN, aN, bN) appear in the switcher but do not steal
+          # "preferred" from the current stable release.
+          # Stable releases also prune all pre-release entries for the same
+          # base version (e.g. finalising 0.4.1 removes 0.4.1rc1, 0.4.1a1, …).
+          python3 - <<'PYEOF'
+          import json, os, re
+
+          version = os.environ["VERSION"]
+          switcher_path = os.environ["SWITCHER"]
+          base_url = "https://prjemian.github.io/ad_hoc_diffractometer"
+
+          is_prerelease = bool(re.search(r'(a|b|rc)\d+$', version))
+
+          with open(switcher_path) as f:
+              entries = json.load(f)
+
+          versions = [e["version"] for e in entries]
+          insert_pos = next(
+              (i + 1 for i, e in enumerate(entries) if e.get("version") == "latest"),
+              1,
+          )
+
+          if not is_prerelease:
+              # Remove all pre-release entries for this base version.
+              prerelease_pat = re.compile(r'^' + re.escape(version) + r'(a|b|rc)\d+$')
+              pruned = [e["version"] for e in entries if prerelease_pat.match(e["version"])]
+              entries = [e for e in entries if not prerelease_pat.match(e["version"])]
+              for v in pruned:
+                  print(f"Removed pre-release {v} from switcher.json")
+              # Recalculate insert position after pruning.
+              insert_pos = next(
+                  (i + 1 for i, e in enumerate(entries) if e.get("version") == "latest"),
+                  1,
+              )
+              versions = [e["version"] for e in entries]
+              # Clear preferred everywhere, then mark this stable version.
+              for e in entries:
+                  e.pop("preferred", None)
+              if version in versions:
+                  for e in entries:
+                      if e["version"] == version:
+                          e["preferred"] = True
+                  print(f"{version} already present; marked preferred")
+              else:
+                  new_entry = {"version": version, "url": f"{base_url}/{version}/", "preferred": True}
+                  entries.insert(insert_pos, new_entry)
+                  print(f"Added {version} to switcher.json and marked preferred")
+          else:
+              # Pre-release: add without touching preferred.
+              if version in versions:
+                  print(f"{version} already present (pre-release; preferred unchanged)")
+              else:
+                  new_entry = {"version": version, "url": f"{base_url}/{version}/"}
+                  entries.insert(insert_pos, new_entry)
+                  print(f"Added pre-release {version} to switcher.json (preferred unchanged)")
+
+          with open(switcher_path, "w") as f:
+              json.dump(entries, f, indent=4)
+          PYEOF
+        env:
+          SWITCHER: gh-pages-clone/latest/_static/switcher.json
+          VERSION: ${{ env.DOC_VERSION }}
+
+      - name: Remove pre-release doc directories from gh-pages on stable tag
+        if: >
+          github.event_name == 'push' &&
+          startsWith(github.ref, 'refs/tags/') &&
+          !contains(env.DOC_VERSION, 'a') &&
+          !contains(env.DOC_VERSION, 'b') &&
+          !contains(env.DOC_VERSION, 'rc')
+        run: |
+          set -euo pipefail
+          VERSION="${DOC_VERSION}"
+
+          # Delete gh-pages/<base>rcN, <base>aN, <base>bN directories if present.
+          PRUNED=()
+          for dir in gh-pages-clone/${VERSION}{a,b,rc}*/; do
+            [ -d "${dir}" ] || continue
+            rm -rf "${dir}"
+            PRUNED+=("${dir}")
+            echo "Removed directory: ${dir}"
+          done
+
+          if [[ ${#PRUNED[@]} -eq 0 ]]; then
+            echo "No pre-release directories found for ${VERSION}."
+          fi
+
+      - name: Commit switcher.json and pruned directories to gh-pages
+        if: github.event_name == 'push' && startsWith(github.ref, 'refs/tags/')
+        run: |
+          cd gh-pages-clone
+          git config user.name "github-actions[bot]"
+          git config user.email "github-actions[bot]@users.noreply.github.com"
+          git add -A
+          git diff --cached --quiet || git commit -m "ci: release ${DOC_VERSION}: update switcher.json, prune pre-release docs"
+          # Pull with rebase before pushing to avoid "fetch first" rejection
+          # when the earlier gh-pages deploy step has already pushed to the branch.
+          git pull --rebase origin gh-pages
+          git push
+
+      - name: Deploy on manual trigger
+        uses: peaceiris/actions-gh-pages@v4
+        if: github.event_name == 'workflow_dispatch' && github.event.inputs.deploy == 'true'
+        with:
+          github_token: ${{ secrets.GITHUB_TOKEN }}
+          publish_branch: gh-pages
+          publish_dir: docs/build/html
+          destination_dir: latest
+          keep_files: true

ad_hoc_diffractometer-0.3.1/.github/workflows/docs_backfill.yml

@@ -0,0 +1,191 @@
+name: Backfill Docs for a Tagged Version
+
+# Use this workflow to publish docs for a tag that was released before
+# versioned docs were introduced.  Run manually from the Actions tab.
+#
+# Usage:
+#   1. Go to Actions -> "Backfill Docs for a Tagged Version"
+#   2. Click "Run workflow"
+#   3. Enter the tag (e.g. "v0.2.0") in the input field
+#   4. Click "Run workflow"
+
+on:
+  workflow_dispatch:
+    inputs:
+      tag:
+        description: 'Tag to build and publish (e.g. v0.2.0)'
+        required: true
+        type: string
+
+permissions:
+  contents: write
+
+jobs:
+
+  backfill:
+    name: Backfill docs for tag ${{ github.event.inputs.tag }}
+    runs-on: ubuntu-latest
+
+    steps:
+
+      - name: Deploy Information
+        run: |
+          echo "Building and publishing docs for tag: ${{ github.event.inputs.tag }}"
+
+      - name: Make Temporary Directory
+        run: |
+          echo "TMP_DIR=$(mktemp -d)" >> "${GITHUB_ENV}"
+          echo "DOC_VERSION=${{ github.event.inputs.tag }}" >> "${GITHUB_ENV}"
+
+      - name: Install pandoc
+        run: |
+          set -vxeuo pipefail
+          sudo apt-get update && sudo apt-get -y install pandoc
+
+      - name: Checkout tag
+        uses: actions/checkout@v6
+        with:
+          ref: ${{ github.event.inputs.tag }}
+          fetch-depth: 0
+
+      - name: Set up Python
+        uses: actions/setup-python@v6
+        with:
+          python-version: "3.12"
+          cache: pip
+
+      - name: Install package and doc requirements
+        run: pip install -e .[doc]
+
+      - name: Build docs
+        run: |
+          HTML_DIR="${TMP_DIR}/build/${DOC_VERSION}"
+          echo "HTML_DIR=${HTML_DIR}" >> "${GITHUB_ENV}"
+          python3 -m sphinx -b html docs/source "${HTML_DIR}"
+
+      - name: Upload artifact
+        uses: actions/upload-artifact@v7
+        with:
+          name: docs-${{ env.DOC_VERSION }}
+          path: ${{ env.HTML_DIR }}
+
+      - name: Deploy to gh-pages/<version>/
+        uses: peaceiris/actions-gh-pages@v4
+        with:
+          github_token: ${{ secrets.GITHUB_TOKEN }}
+          publish_branch: gh-pages
+          publish_dir: ${{ env.HTML_DIR }}
+          destination_dir: ${{ env.DOC_VERSION }}
+          keep_files: true
+
+      - name: Update switcher.json on gh-pages
+        run: |
+          set -euo pipefail
+          VERSION="${DOC_VERSION}"
+
+          git clone --branch gh-pages --depth 1 \
+            "https://x-access-token:${{ secrets.GITHUB_TOKEN }}@github.com/${{ github.repository }}.git" \
+            gh-pages-clone
+
+          SWITCHER="gh-pages-clone/latest/_static/switcher.json"
+
+          if [ ! -f "${SWITCHER}" ]; then
+            echo "switcher.json not found at ${SWITCHER} — skipping update"
+            exit 0
+          fi
+
+          # Update switcher.json.
+          # Pre-releases (rcN, aN, bN) appear in the switcher but do not steal
+          # "preferred" from the current stable release.
+          # Stable releases also prune all pre-release entries for the same
+          # base version (e.g. finalising 0.4.1 removes 0.4.1rc1, 0.4.1a1, …).
+          python3 - <<'PYEOF'
+          import json, os, re
+
+          version = os.environ["VERSION"]
+          switcher_path = os.environ["SWITCHER"]
+          base_url = "https://prjemian.github.io/ad_hoc_diffractometer"
+
+          is_prerelease = bool(re.search(r'(a|b|rc)\d+$', version))
+
+          with open(switcher_path) as f:
+              entries = json.load(f)
+
+          versions = [e["version"] for e in entries]
+          insert_pos = next(
+              (i + 1 for i, e in enumerate(entries) if e.get("version") == "latest"),
+              1,
+          )
+
+          if not is_prerelease:
+              # Remove all pre-release entries for this base version.
+              prerelease_pat = re.compile(r'^' + re.escape(version) + r'(a|b|rc)\d+$')
+              pruned = [e["version"] for e in entries if prerelease_pat.match(e["version"])]
+              entries = [e for e in entries if not prerelease_pat.match(e["version"])]
+              for v in pruned:
+                  print(f"Removed pre-release {v} from switcher.json")
+              # Recalculate insert position after pruning.
+              insert_pos = next(
+                  (i + 1 for i, e in enumerate(entries) if e.get("version") == "latest"),
+                  1,
+              )
+              versions = [e["version"] for e in entries]
+              # Clear preferred everywhere, then mark this stable version.
+              for e in entries:
+                  e.pop("preferred", None)
+              if version in versions:
+                  for e in entries:
+                      if e["version"] == version:
+                          e["preferred"] = True
+                  print(f"{version} already present; marked preferred")
+              else:
+                  new_entry = {"version": version, "url": f"{base_url}/{version}/", "preferred": True}
+                  entries.insert(insert_pos, new_entry)
+                  print(f"Added {version} and marked preferred")
+          else:
+              # Pre-release: add without touching preferred.
+              if version in versions:
+                  print(f"{version} already present (pre-release; preferred unchanged)")
+              else:
+                  new_entry = {"version": version, "url": f"{base_url}/{version}/"}
+                  entries.insert(insert_pos, new_entry)
+                  print(f"Added pre-release {version} (preferred unchanged)")
+
+          with open(switcher_path, "w") as f:
+              json.dump(entries, f, indent=4)
+          PYEOF
+        env:
+          SWITCHER: gh-pages-clone/latest/_static/switcher.json
+          VERSION: ${{ env.DOC_VERSION }}
+
+      - name: Remove pre-release doc directories from gh-pages on stable tag
+        if: >
+          !contains(env.DOC_VERSION, 'a') &&
+          !contains(env.DOC_VERSION, 'b') &&
+          !contains(env.DOC_VERSION, 'rc')
+        run: |
+          set -euo pipefail
+          VERSION="${DOC_VERSION}"
+
+          # Delete gh-pages/<base>rcN, <base>aN, <base>bN directories if present.
+          PRUNED=()
+          for dir in gh-pages-clone/${VERSION}{a,b,rc}*/; do
+            [ -d "${dir}" ] || continue
+            rm -rf "${dir}"
+            PRUNED+=("${dir}")
+            echo "Removed directory: ${dir}"
+          done
+
+          if [[ ${#PRUNED[@]} -eq 0 ]]; then
+            echo "No pre-release directories found for ${VERSION}."
+          fi
+
+      - name: Commit switcher.json and pruned directories to gh-pages
+        run: |
+          cd gh-pages-clone
+          git config user.name "github-actions[bot]"
+          git config user.email "github-actions[bot]@users.noreply.github.com"
+          git add -A
+          git diff --cached --quiet || git commit -m "ci: release ${DOC_VERSION}: update switcher.json, prune pre-release docs (backfill)"
+          git pull --rebase origin gh-pages
+          git push

ad_hoc_diffractometer-0.3.1/.github/workflows/pypi.yml

@@ -0,0 +1,47 @@
+name: Publish to PyPI
+
+on:
+  push:
+    branches:
+      - main
+    tags:
+      - '*'
+  workflow_dispatch:
+
+permissions:
+  id-token: write
+
+concurrency:
+  group: ${{ github.workflow }}-${{ github.ref }}
+  cancel-in-progress: true
+
+jobs:
+
+  build-pypi:
+    name: Build and publish to PyPI
+    runs-on: ubuntu-latest
+
+    steps:
+      - uses: actions/checkout@v6
+        with:
+          fetch-depth: 0
+
+      - name: Set up Python
+        uses: actions/setup-python@v6
+        with:
+          python-version: "3.12"
+
+      - name: Install build tools
+        run: pip install --upgrade build twine
+
+      - name: Build sdist and wheel
+        run: python -m build --sdist --wheel --outdir dist/ .
+
+      - name: Check package metadata
+        run: twine check dist/*
+
+      - name: Publish to PyPI
+        if: startsWith(github.ref, 'refs/tags/')
+        uses: pypa/gh-action-pypi-publish@release/v1
+        with:
+          verbose: true

ad_hoc_diffractometer-0.3.1/.github/workflows/tests.yml

@@ -0,0 +1,44 @@
+name: Unit Tests
+
+on:
+  push:
+    branches: [main]
+  pull_request:
+    branches: [main]
+
+concurrency:
+  group: ${{ github.workflow }}-${{ github.ref }}
+  cancel-in-progress: true
+
+jobs:
+  test:
+    name: Python ${{ matrix.python-version }}
+    runs-on: ubuntu-latest
+
+    strategy:
+      fail-fast: false
+      matrix:
+        python-version: ["3.10", "3.11", "3.12", "3.13"]
+        include:
+          # 3.14 is pre-release; run it for early warning but don't fail CI
+          - python-version: "3.14-dev"
+            continue-on-error: true
+
+    continue-on-error: ${{ matrix.continue-on-error == true }}
+
+    steps:
+      - uses: actions/checkout@v6
+        with:
+          fetch-depth: 0  # full history so hatch-vcs can read git tags
+
+      - name: Set up Python ${{ matrix.python-version }}
+        uses: actions/setup-python@v6
+        with:
+          python-version: ${{ matrix.python-version }}
+          cache: pip
+
+      - name: Install package with dev dependencies
+        run: pip install -e .[dev]
+
+      - name: Run tests
+        run: python -m pytest -v

ad_hoc_diffractometer-0.3.1/.gitignore

@@ -0,0 +1,22 @@
+references/
+src/ad_hoc_diffractometer/_version.py
+docs/build/
+docs/source/autoapi/
+.coverage
+htmlcov/
+.pytest_cache/
+__pycache__/
+*.py[cod]
+*.egg-info/
+dist/
+build/
+*.egg
+*.log
+*.bak
+*.swp
+.DS_Store
+.idea/
+.vscode/
+.loglogin
+dev_*
+dev_*/

ad_hoc_diffractometer-0.3.1/.pre-commit-config.yaml

@@ -0,0 +1,40 @@
+repos:
+  - repo: https://github.com/pre-commit/pre-commit-hooks
+    rev: v5.0.0
+    hooks:
+      - id: trailing-whitespace
+      - id: end-of-file-fixer
+      - id: check-yaml
+      - id: check-toml
+      - id: check-merge-conflict
+      - id: debug-statements
+
+  - repo: https://github.com/Lucas-C/pre-commit-hooks
+    rev: v1.5.5
+    hooks:
+      - id: insert-license
+        name: insert-license (src)
+        files: ^src/ad_hoc_diffractometer/(?!_version).*\.py$
+        args:
+          - --license-filepath=.copyright.txt
+          - --comment-style=#
+          - --no-extra-eol
+      - id: insert-license
+        name: insert-license (tests)
+        files: ^tests/test_.*\.py$
+        args:
+          - --license-filepath=.copyright.txt
+          - --comment-style=#
+          - --no-extra-eol
+
+  - repo: https://github.com/PyCQA/isort
+    rev: 5.13.2
+    hooks:
+      - id: isort
+
+  - repo: https://github.com/astral-sh/ruff-pre-commit
+    rev: v0.9.10
+    hooks:
+      - id: ruff
+        args: [--fix]
+      - id: ruff-format