PyMieSimX 0.4.0__tar.gz → 0.4.4__tar.gz

{pymiesimx-0.4.0 → pymiesimx-0.4.4}/.github/workflows/deploy_coverage.yml

@@ -16,18 +16,13 @@ jobs:
     name: Run GUI tests and publish coverage
     runs-on: ubuntu-latest
     steps:
-      - uses: actions/checkout@fbc6f3992d24b796d5a048ff273f7fcc4a7b6c09
-        with:
-          fetch-depth: 0
-
-      - uses: actions/setup-python@ece7cb06caefa5fff74198d8649806c4678c61a1
+      - name: Set up Python and CI dependencies
+        uses: MartinPdeS/MPSActions/actions/setup-python@a01969bc5af90666281f9d37acffdf6a4629763a
         with:
           python-version: "3.11"
-
-      - name: Install package and test dependencies
-        run: |
-          python -m pip install --upgrade pip wheel build
-          python -m pip install -e ".[testing]"
+          install-command: >-
+            python -m pip install --upgrade pip wheel build && python -m pip install -e ".[testing]"
+          fetch-depth: 0
 
       - name: Initialize material catalog
         run: python -m PyOptik setup --no-progress
@@ -46,7 +41,7 @@ jobs:
 
       - name: Post coverage comment
         if: github.event_name == 'push' || github.event.pull_request.head.repo.full_name == github.repository
-        uses: py-cov-action/python-coverage-comment-action@v3
+        uses: py-cov-action/python-coverage-comment-action@a05be3d2e8a6272d3ef5fb2840ab20368bb2eb71
         with:
           GITHUB_TOKEN: ${{ secrets.GITHUB_TOKEN }}
           MINIMUM_GREEN: 90

pymiesimx-0.4.4/.github/workflows/deploy_documentation.yml

@@ -0,0 +1,116 @@
+# Build and publish the versioned documentation site.
+name: Documentation
+
+on:
+  push:
+    branches: ["**"]
+    tags: ["v*"]
+  pull_request:
+    branches: ["master"]
+
+concurrency:
+  group: documentation-build-${{ github.repository }}
+  cancel-in-progress: false
+
+permissions:
+  contents: write
+  pages: write
+  id-token: write
+
+jobs:
+  ManyLinux_x86_64:
+    uses: MartinPdeS/MPSActions/.github/workflows/publish_documentation.yml@a01969bc5af90666281f9d37acffdf6a4629763a
+    with:
+      python-version: "3.11"
+      package-name: "PyMieSimX"
+      apt-package: xvfb jq
+      deploy-pages: ${{ github.event_name == 'push' && (github.ref == 'refs/heads/master' || startsWith(github.ref, 'refs/tags/v')) }}
+
+  prune_documentation_versions:
+    needs: ManyLinux_x86_64
+    if: ${{ github.event_name == 'push' && (github.ref == 'refs/heads/master' || startsWith(github.ref, 'refs/tags/v')) }}
+    runs-on: ubuntu-latest
+    env:
+      DOCUMENTATION_BRANCH: documentation_page
+      VERSION_RETENTION_COUNT: 5
+
+    steps:
+      - name: Checkout documentation branch
+        uses: actions/checkout@fbc6f3992d24b796d5a048ff273f7fcc4a7b6c09
+        with:
+          fetch-depth: 0
+          ref: ${{ env.DOCUMENTATION_BRANCH }}
+
+      - name: Retain only the newest documentation versions
+        run: |
+          set -Eeuo pipefail
+
+          mapfile -t versions < <(
+            find docs \
+              -mindepth 1 \
+              -maxdepth 1 \
+              -type d \
+              -printf "%f\n" \
+              | grep -v "^latest$" \
+              | sort -V -r
+          )
+
+          for version in "${versions[@]:${VERSION_RETENTION_COUNT}}"; do
+            git rm -r -- "docs/${version}"
+          done
+
+      - name: Install documentation landing page
+        run: |
+          set -Eeuo pipefail
+          git show "${GITHUB_SHA}:docs/redirect.html" > index.html
+          test -s docs/latest/index.html
+
+      - name: Rebuild version switcher
+        run: |
+          set -Eeuo pipefail
+
+          base_url="https://martinpdes.github.io/PyMieSimX/docs"
+          mapfile -t versions < <(
+            find docs \
+              -mindepth 1 \
+              -maxdepth 1 \
+              -type d \
+              -printf "%f\n" \
+              | grep -v "^latest$" \
+              | sort -V -r
+          )
+
+          jq -n \
+            --arg base_url "${base_url}" \
+            --argjson versions "$(printf '%s\n' "${versions[@]}" | jq -R . | jq -s .)" \
+            '[
+              {
+                name: "latest",
+                version: "latest",
+                url: ($base_url + "/latest")
+              }
+            ] + [
+              $versions[] | {
+                name: .,
+                version: .,
+                url: ($base_url + "/" + .)
+              }
+            ]' > version_switcher.json
+
+          jq . version_switcher.json
+
+      - name: Commit pruned documentation
+        run: |
+          set -Eeuo pipefail
+
+          git config user.name "github-actions[bot]"
+          git config user.email "github-actions[bot]@users.noreply.github.com"
+          git add index.html version_switcher.json
+
+          if git diff --cached --quiet; then
+            echo "Documentation landing page and retention policy are up to date."
+            exit 0
+          fi
+
+          git commit -m "Update documentation landing page and retain ${VERSION_RETENTION_COUNT} versions [skip ci]"
+          git push origin "HEAD:${DOCUMENTATION_BRANCH}"

pymiesimx-0.4.4/.github/workflows/deploy_release.yml

@@ -0,0 +1,30 @@
+name: Publish release
+
+on:
+  push:
+    tags: ["v*"]
+
+permissions:
+  contents: read
+
+jobs:
+  pypi:
+    name: Publish to PyPI
+    uses: MartinPdeS/MPSActions/.github/workflows/publish_pure_package_to_PyPi.yml@a01969bc5af90666281f9d37acffdf6a4629763a
+    with:
+      python-version: "3.11"
+      test-command: python -c "import PyMieSimX"
+    secrets:
+      PYPI_API_TOKEN: ${{ secrets.PYPI_API_TOKEN }}
+
+  conda:
+    name: Publish Conda package
+    uses: MartinPdeS/MPSActions/.github/workflows/publish_compiled_package_to_anaconda.yml@a01969bc5af90666281f9d37acffdf6a4629763a
+    with:
+      python_versions: '["3.11", "3.12", "3.13", "3.14"]'
+      os_list: '["ubuntu-latest", "macos-latest", "windows-latest"]'
+      package_name: pymiesimx
+      recipe_path: conda.recipe
+      test_import: PyMieSimX
+    secrets:
+      ANACONDA_API_TOKEN: ${{ secrets.ANACONDA_API_TOKEN }}

{pymiesimx-0.4.0 → pymiesimx-0.4.4}/.github/workflows/quality.yml

@@ -17,7 +17,7 @@ jobs:
         python-version: ["3.11", "3.13"]
     steps:
       - name: Set up Python and CI dependencies
-        uses: MartinPdeS/MPSActions/actions/setup-python@0f5927acf88b25b5d253421e508387897096a2cc
+        uses: MartinPdeS/MPSActions/actions/setup-python@a01969bc5af90666281f9d37acffdf6a4629763a
         with:
           python-version: "${{ matrix.python-version }}"
           install-command: >-
@@ -35,7 +35,7 @@ jobs:
     runs-on: ubuntu-latest
     steps:
       - name: Set up Python and CI dependencies
-        uses: MartinPdeS/MPSActions/actions/setup-python@0f5927acf88b25b5d253421e508387897096a2cc
+        uses: MartinPdeS/MPSActions/actions/setup-python@a01969bc5af90666281f9d37acffdf6a4629763a
         with:
           python-version: "3.11"
           install-command: >-

{pymiesimx-0.4.0 → pymiesimx-0.4.4}/.github/workflows/tests.yml

@@ -18,7 +18,7 @@ jobs:
         python-version: ["3.11", "3.14"]
     steps:
       - name: Set up Python and CI dependencies
-        uses: MartinPdeS/MPSActions/actions/setup-python@0f5927acf88b25b5d253421e508387897096a2cc
+        uses: MartinPdeS/MPSActions/actions/setup-python@a01969bc5af90666281f9d37acffdf6a4629763a
         with:
           python-version: "${{ matrix.python-version }}"
           install-command: >-

{pymiesimx-0.4.0 → pymiesimx-0.4.4}/.gitignore

@@ -9,6 +9,8 @@ build/
 dist/
 .coverage
 htmlcov/
+docs/_build/
+docs/source/generated/
 .DS_Store
 !conda.recipe/
 !conda.recipe/meta.yaml

{pymiesimx-0.4.0 → pymiesimx-0.4.4}/PKG-INFO

@@ -1,6 +1,6 @@
 Metadata-Version: 2.4
 Name: PyMieSimX
-Version: 0.4.0
+Version: 0.4.4
 Summary: Graphical Dash interface for PyMieSim.
 Author-email: Martin Poinsinet de Sivry-Houle <martin.poinsinet.de.sivry@gmail.com>
 License-Expression: MIT
@@ -18,6 +18,7 @@ Requires-Dist: dash<5,>=4.1.0
 Requires-Dist: gunicorn<24,>=23.0.0
 Requires-Dist: numpy<3,>=2.0
 Requires-Dist: pandas<3,>=2.2
+Requires-Dist: pint<0.26,>=0.24
 Requires-Dist: plotly<7,>=5.24
 Requires-Dist: psycopg[binary]<4,>=3.2.9
 Provides-Extra: testing
@@ -30,11 +31,20 @@ Provides-Extra: dev
 Requires-Dist: build>=1.2; extra == "dev"
 Requires-Dist: mypy==1.15.0; extra == "dev"
 Requires-Dist: ruff==0.11.2; extra == "dev"
+Provides-Extra: docs
+Requires-Dist: MartinPdeS-docs<0.3,>=0.2.1; extra == "docs"
+Provides-Extra: documentation
+Requires-Dist: MartinPdeS-docs<0.3,>=0.2.1; extra == "documentation"
 Dynamic: license-file
 
 PyMieSimX
 =========
 
+.. image:: docs/source/_static/logo.svg
+   :alt: PyMieSimX
+   :align: center
+   :width: 420px
+
 PyMieSimX is the standalone graphical interface for `PyMieSim
 <https://github.com/MartinPdeS/PyMieSim>`_. It provides a Dash application for
 configuring optical setups, running parameter sweeps, exploring individual

{pymiesimx-0.4.0 → pymiesimx-0.4.4}/PyMieSimX.egg-info/PKG-INFO

@@ -1,6 +1,6 @@
 Metadata-Version: 2.4
 Name: PyMieSimX
-Version: 0.4.0
+Version: 0.4.4
 Summary: Graphical Dash interface for PyMieSim.
 Author-email: Martin Poinsinet de Sivry-Houle <martin.poinsinet.de.sivry@gmail.com>
 License-Expression: MIT
@@ -18,6 +18,7 @@ Requires-Dist: dash<5,>=4.1.0
 Requires-Dist: gunicorn<24,>=23.0.0
 Requires-Dist: numpy<3,>=2.0
 Requires-Dist: pandas<3,>=2.2
+Requires-Dist: pint<0.26,>=0.24
 Requires-Dist: plotly<7,>=5.24
 Requires-Dist: psycopg[binary]<4,>=3.2.9
 Provides-Extra: testing
@@ -30,11 +31,20 @@ Provides-Extra: dev
 Requires-Dist: build>=1.2; extra == "dev"
 Requires-Dist: mypy==1.15.0; extra == "dev"
 Requires-Dist: ruff==0.11.2; extra == "dev"
+Provides-Extra: docs
+Requires-Dist: MartinPdeS-docs<0.3,>=0.2.1; extra == "docs"
+Provides-Extra: documentation
+Requires-Dist: MartinPdeS-docs<0.3,>=0.2.1; extra == "documentation"
 Dynamic: license-file
 
 PyMieSimX
 =========
 
+.. image:: docs/source/_static/logo.svg
+   :alt: PyMieSimX
+   :align: center
+   :width: 420px
+
 PyMieSimX is the standalone graphical interface for `PyMieSim
 <https://github.com/MartinPdeS/PyMieSim>`_. It provides a Dash application for
 configuring optical setups, running parameter sweeps, exploring individual

{pymiesimx-0.4.0 → pymiesimx-0.4.4}/PyMieSimX.egg-info/SOURCES.txt

@@ -11,9 +11,9 @@ makefile
 pyproject.toml
 pytest.ini
 .github/dependabot.yml
-.github/workflows/deploy_PyPi.yml
-.github/workflows/deploy_anaconda.yml
 .github/workflows/deploy_coverage.yml
+.github/workflows/deploy_documentation.yml
+.github/workflows/deploy_release.yml
 .github/workflows/quality.yml
 .github/workflows/tests.yml
 PyMieSimX/__init__.py
@@ -84,6 +84,19 @@ PyMieSimX/gui/pages/single/sections/__init__.py
 PyMieSimX/gui/pages/single/sections/representations.py
 PyMieSimX/gui/pages/single/sections/setup.py
 conda.recipe/meta.yaml
+docs/redirect.html
+docs/source/api.rst
+docs/source/conf.py
+docs/source/contributing.rst
+docs/source/getting_started.rst
+docs/source/gui.rst
+docs/source/how_it_works.rst
+docs/source/index.rst
+docs/source/project.rst
+docs/source/reference.rst
+docs/source/sharing.rst
+docs/source/_static/favicon.svg
+docs/source/_static/logo.svg
 tests/browser/test_dashboard.py
 tests/gui/cli.py
 tests/gui/test_admin.py

{pymiesimx-0.4.0 → pymiesimx-0.4.4}/PyMieSimX.egg-info/requires.txt

@@ -4,6 +4,7 @@ dash<5,>=4.1.0
 gunicorn<24,>=23.0.0
 numpy<3,>=2.0
 pandas<3,>=2.2
+pint<0.26,>=0.24
 plotly<7,>=5.24
 psycopg[binary]<4,>=3.2.9
 
@@ -15,6 +16,12 @@ build>=1.2
 mypy==1.15.0
 ruff==0.11.2
 
+[docs]
+MartinPdeS-docs<0.3,>=0.2.1
+
+[documentation]
+MartinPdeS-docs<0.3,>=0.2.1
+
 [testing]
 pytest>=8.0
 pytest-cov>=5.0

{pymiesimx-0.4.0 → pymiesimx-0.4.4}/PyMieSimX.egg-info/scm_file_list.json

@@ -3,9 +3,9 @@
     ".coveragerc",
     ".flake8",
     ".github/dependabot.yml",
-    ".github/workflows/deploy_PyPi.yml",
-    ".github/workflows/deploy_anaconda.yml",
     ".github/workflows/deploy_coverage.yml",
+    ".github/workflows/deploy_documentation.yml",
+    ".github/workflows/deploy_release.yml",
     ".github/workflows/quality.yml",
     ".github/workflows/tests.yml",
     ".gitignore",
@@ -75,6 +75,19 @@
     "PyMieSimX/gui/validation.py",
     "README.rst",
     "conda.recipe/meta.yaml",
+    "docs/redirect.html",
+    "docs/source/_static/favicon.svg",
+    "docs/source/_static/logo.svg",
+    "docs/source/api.rst",
+    "docs/source/conf.py",
+    "docs/source/contributing.rst",
+    "docs/source/getting_started.rst",
+    "docs/source/gui.rst",
+    "docs/source/how_it_works.rst",
+    "docs/source/index.rst",
+    "docs/source/project.rst",
+    "docs/source/reference.rst",
+    "docs/source/sharing.rst",
     "makefile",
     "pyproject.toml",
     "pytest.ini",

pymiesimx-0.4.4/PyMieSimX.egg-info/scm_version.json

@@ -0,0 +1,8 @@
+{
+  "tag": "0.4.4",
+  "distance": 0,
+  "node": "gd743aadbd5ddcce6e4494736545d702e22ca6547",
+  "dirty": false,
+  "branch": "HEAD",
+  "node_date": "2026-10-21"
+}

{pymiesimx-0.4.0 → pymiesimx-0.4.4}/README.rst

@@ -1,6 +1,11 @@
 PyMieSimX
 =========
 
+.. image:: docs/source/_static/logo.svg
+   :alt: PyMieSimX
+   :align: center
+   :width: 420px
+
 PyMieSimX is the standalone graphical interface for `PyMieSim
 <https://github.com/MartinPdeS/PyMieSim>`_. It provides a Dash application for
 configuring optical setups, running parameter sweeps, exploring individual

{pymiesimx-0.4.0 → pymiesimx-0.4.4}/conda.recipe/meta.yaml

@@ -7,6 +7,7 @@ source:
 
 build:
   number: 0
+  string: py{{ PY_VER | replace('.', '') }}_{{ PKG_BUILDNUM }}
   script_env:
     - SETUPTOOLS_SCM_PRETEND_VERSION={{ GIT_DESCRIBE_TAG | replace("v", "") }}
   entry_points:
@@ -27,6 +28,7 @@ requirements:
     - gunicorn >=23.0.0,<24  # [not win]
     - numpy >=2.0,<3
     - pandas >=2.2,<3
+    - pint >=0.24,<0.26
     - plotly >=5.24,<7
     - psycopg >=3.2.9,<4
 

pymiesimx-0.4.4/docs/redirect.html

@@ -0,0 +1,13 @@
+<!DOCTYPE html>
+<html lang="en">
+<head>
+    <meta charset="UTF-8">
+    <meta name="viewport" content="width=device-width, initial-scale=1">
+    <meta http-equiv="refresh" content="0; url=docs/latest/index.html">
+    <link rel="canonical" href="docs/latest/index.html">
+    <title>PyMieSimX documentation</title>
+</head>
+<body>
+    <p>Continue to the <a href="docs/latest/index.html">PyMieSimX documentation</a>.</p>
+</body>
+</html>

pymiesimx-0.4.4/docs/source/_static/favicon.svg

@@ -0,0 +1,6 @@
+<?xml version="1.0" encoding="UTF-8"?>
+<svg xmlns="http://www.w3.org/2000/svg" viewBox="0 0 64 64" role="img" aria-label="PMS favicon">
+  <title>PMS</title>
+  <rect width="64" height="64" rx="12" fill="#000000"/>
+  <text x="32" y="41" text-anchor="middle" fill="#2f80ff" font-family="Arial, Helvetica, sans-serif" font-size="24" font-weight="800" letter-spacing="1">PMS</text>
+</svg>

pymiesimx-0.4.4/docs/source/_static/logo.svg

@@ -0,0 +1,39 @@
+<?xml version="1.0" encoding="UTF-8"?>
+<svg xmlns="http://www.w3.org/2000/svg"
+     width="1100" height="400"
+     viewBox="200 50 700 400"
+     role="img"
+     aria-label="PyMieSim Flow-cytometry Calibration logo">
+  <title>PyMieSim Flow-cytometry Calibration</title>
+  <style>
+    .logo-main {
+      font-family: "Avenir Next", "Century Gothic", Futura, Montserrat, Arial, serif;
+      font-size: 186px;
+      font-weight: 560;
+      letter-spacing: -3px;
+      fill: #26272a;
+    }
+    .logo-subtitle {
+      font-family: "Avenir Next", "Century Gothic", Futura, Montserrat, Arial, sans-serif;
+      font-size: 55px;
+      font-weight: 350;
+      letter-spacing: -1.2px;
+      fill: #26272a;
+      text-anchor: end;
+    }
+  </style>
+
+  <text class="logo-main" x="35" y="290"><tspan>P</tspan><tspan dx="9">yMieSim</tspan></text>
+
+  <!-- Original blue/cyan chevron X preserved as vector paths, shifted slightly right for better spacing -->
+  <g transform="translate(-108,0)">
+    <path d="m 975.8673,149.6464 h 26 l 64,88 -64,88 h -26 l 64,-88 z"
+          fill="#2d6df6"/>
+    <path d="m 1135.8673,149.6464 h 28 l -64,88 64,88 h -28 l -62,-88 z"
+          fill="#16c9dc"/>
+  </g>
+
+  <text class="logo-subtitle" x="1078" y="397">Light Scattering Simulation</text>
+  <line x1="460" y1="416" x2="1078" y2="416"
+        stroke="#26272a" stroke-width="5" stroke-linecap="butt" />
+</svg>

pymiesimx-0.4.4/docs/source/api.rst

@@ -0,0 +1,25 @@
+Python API
+==========
+
+The top-level API is independent of the Dash server and is useful in scripts,
+notebooks, and automated workflows.
+
+.. autosummary::
+   :toctree: generated
+
+   PyMieSimX.api.run_experiment
+   PyMieSimX.api.compute_population_optics
+   PyMieSimX.api.validate_experiment_inputs
+   PyMieSimX.api.available_measures
+   PyMieSimX.api.export_result_to_csv
+   PyMieSimX.api.export_single_result_to_csv
+   PyMieSimX.api.export_population_to_csv
+   PyMieSimX.api.estimate_result_size
+   PyMieSimX.api.estimate_sweep_size
+
+API module
+----------
+
+.. automodule:: PyMieSimX.api
+   :no-members:
+   :show-inheritance:

pymiesimx-0.4.4/docs/source/conf.py

@@ -0,0 +1,59 @@
+"""Sphinx configuration for PyMieSimX."""
+
+import subprocess
+import sys
+from pathlib import Path
+
+from martinpdes_docs import configure
+
+
+# API autodoc imports the calculation services, which resolve named PyOptik
+# materials. Populate the catalogue on a fresh documentation runner.
+try:
+    from PyOptik.directories import user_data_path
+except ImportError:
+    user_data_path = None
+else:
+    catalog_path = Path(user_data_path) / "rii" / "catalog-nk.yml"
+    if not catalog_path.is_file():
+        subprocess.run(
+            [sys.executable, "-m", "PyOptik", "setup", "--no-progress"],
+            check=True,
+        )
+
+
+project = "PyMieSimX"
+package = "PyMieSimX"
+repository = "MartinPdeS/PyMieSimX"
+author = "Martin Poinsinet de Sivry-Houle"
+
+# PyMieSimX documents a stable Python API and its Dash application; it does
+# not currently have executable gallery examples.
+globals().update(
+    configure(
+        project=project,
+        package=package,
+        author=author,
+        repository=repository,
+        logo="_static/logo.svg",
+        favicon="_static/favicon.svg",
+        extensions=[
+            "sphinx.ext.autodoc",
+            "sphinx.ext.autosummary",
+            "sphinx.ext.intersphinx",
+            "sphinx.ext.napoleon",
+            "sphinx.ext.viewcode",
+            "sphinx.ext.todo",
+            "sphinx_design",
+        ],
+    )
+)
+
+autodoc_default_options.update({"members": True})
+html_context.update({"doc_path": "docs/source", "default_mode": "dark"})
+
+intersphinx_mapping = {
+    "numpy": ("https://numpy.org/devdocs", None),
+    "pandas": ("https://pandas.pydata.org/docs", None),
+    "plotly": ("https://plotly.com/python-api-reference", None),
+}

pymiesimx-0.4.4/docs/source/contributing.rst

@@ -0,0 +1,16 @@
+Contributing
+============
+
+Install the development dependencies in an editable environment::
+
+   python -m pip install -e ".[testing,dev,docs]"
+
+Run the checks locally with::
+
+   make quality
+   make test
+   make docs
+
+The project uses Ruff for formatting and linting, mypy for selected typed
+modules, and pytest for the GUI and API tests. Pull requests run these checks
+through GitHub Actions.

pymiesimx-0.4.4/docs/source/getting_started.rst

@@ -0,0 +1,60 @@
+Getting started
+===============
+
+Installation
+------------
+
+Install the application from PyPI::
+
+   python -m pip install PyMieSimX
+
+PyMieSimX uses PyOptik's material catalogue. Initialize the local catalogue
+explicitly when setting up a new environment::
+
+   python -m PyOptik setup --no-progress
+
+Start the dashboard with::
+
+   pymiesimx
+
+The command accepts ``--host``, ``--port``, ``--no-browser``, and ``--debug``.
+Run ``pymiesimx --help`` for the complete list.
+
+First workflow
+--------------
+
+#. Open **Single scatterer** to configure a wavelength, source, particle, and
+   detector.
+#. Choose a named material from PyOptik or enter a complex refractive index.
+#. Select a measure such as ``Qsca`` or ``Qext`` and press **Run**.
+#. Use the plot controls to inspect the result and export the data as CSV.
+
+For parameter studies, use **Parameter scan** to select the varied quantities
+and their ranges. PyMieSimX validates the sweep size before submitting it to a
+bounded background worker, so the interface remains responsive while a run is
+queued or executing.
+
+Python API
+----------
+
+The calculation layer is available without creating a Dash application::
+
+   from PyMieSimX import run_experiment
+
+   result = run_experiment(
+       source_type="GaussianSet",
+       source_values={
+           "wavelength": "650",
+           "polarization": "0",
+           "optical_power": "1e-3",
+           "numerical_aperture": "0.2",
+       },
+       scatterer_type="SphereSet",
+       scatterer_values={"diameter": "500", "material": "1.4", "medium": "1.0"},
+       detector_type="None",
+       detector_values={},
+       measure="Qsca",
+   )
+
+See :doc:`api` for result-size validation, multiple measures, population
+optics, and CSV export helpers.

pymiesimx-0.4.4/docs/source/gui.rst

@@ -0,0 +1,18 @@
+Graphical interface
+===================
+
+The optional Dash interface is exposed through two helpers:
+
+``create_dash_app``
+   Create the configured Dash application for embedding in another service.
+
+``OpticalSetupGUI``
+   Construct the application wrapper used by the ``pymiesimx`` command.
+
+These objects are imported lazily, so importing :mod:`PyMieSimX` for its
+calculation API does not start a web server. The command-line entry point is
+the recommended way to launch the complete interface.
+
+.. automodule:: PyMieSimX.gui.interface
+   :members: create_dash_app, OpticalSetupGUI
+   :show-inheritance:

pymiesimx-0.4.4/docs/source/how_it_works.rst

@@ -0,0 +1,36 @@
+How it works
+============
+
+PyMieSimX separates the interactive application from the optical calculations.
+The Dash pages collect user input, validate it, and pass normalized values to
+PyMieSim. Results are converted into tables and Plotly figures for the browser.
+
+The main pieces are:
+
+* **Setup and validation** normalize units, material choices, source settings,
+  detector settings, and sweep bounds before a calculation starts.
+* **PyMieSim** constructs the scatterer, source, and detector objects and
+  computes the requested observables.
+* **Background jobs** keep larger parameter scans away from the request thread
+  and report queued, running, completed, and failed states to the UI.
+* **Result guards** estimate dataframe and serialized payload sizes before a
+  run, then check the actual result before it is sent to the browser.
+* **Sharing** stores a validated configuration in a URL. Opening a shared URL
+  restores the inputs and runs the setup again with the installed dependencies.
+
+Material names are resolved by PyOptik and therefore follow the catalogue
+available in the current environment. A direct ``n+ik`` value can be used when
+an entry is not available.
+
+Ensemble optics
+---------------
+
+The ensemble workflow evaluates a population of homogeneous spherical
+particles at one wavelength. It supports monodisperse, truncated Gaussian,
+lognormal, and uniform number-based diameter distributions. Cross sections are
+averaged over the sampled population; effective anisotropy is weighted by
+scattering cross section, and population albedo is the ratio of mean scattering
+to mean extinction cross section.
+
+Use dilute-population assumptions: particle interactions, multiple scattering,
+and host-medium absorption are outside this model.

pymiesimx-0.4.4/docs/source/index.rst

@@ -0,0 +1,35 @@
+PyMieSimX
+=========
+
+.. image:: _static/logo.svg
+   :alt: PyMieSimX
+   :align: center
+   :width: 520px
+
+PyMieSimX is a Dash interface for configuring and exploring
+`PyMieSim <https://martinpdes.github.io/PyMieSim/>`_ scattering simulations.
+Use the web interface for interactive work, or call the lightweight Python API
+from scripts and notebooks.
+
+.. toctree::
+   :maxdepth: 2
+   :caption: User guide
+
+   getting_started
+   how_it_works
+   sharing
+   Reference <reference>
+   Project <project>
+
+Key features
+------------
+
+* Configure single scatterer, parameter-scan, and ensemble optics studies.
+* Explore scattering, absorption, extinction, efficiencies, and angular plots.
+* Share a complete simulation setup with a URL and export computed results as
+  CSV files.
+* Use the same calculations without starting Dash through the Python API.
+
+The scientific solver and material catalogue are provided by PyMieSim and
+PyOptik. PyMieSimX focuses on the user interface, validation, plotting, and
+export workflows around them.

pymiesimx-0.4.4/docs/source/project.rst

@@ -0,0 +1,9 @@
+Project
+=======
+
+Find guidance for sharing simulations and contributing to PyMieSimX.
+
+.. toctree::
+   :maxdepth: 2
+
+   contributing

pymiesimx-0.4.4/docs/source/reference.rst

@@ -0,0 +1,10 @@
+Reference
+=========
+
+The reference section covers the Python API and the graphical interface.
+
+.. toctree::
+   :maxdepth: 2
+
+   api
+   gui

pymiesimx-0.4.4/docs/source/sharing.rst

@@ -0,0 +1,12 @@
+Sharing simulations
+===================
+
+Use **Copy simulation link** in Single scatterer, Parameter scan, or Ensemble
+optics to share the current setup. A link contains the configuration, sweep
+ranges, selected measures, and plot settings; it does not contain a snapshot of
+the computed result.
+
+When a link is opened, PyMieSimX restores the inputs and recalculates the
+simulation with the installed PyMieSim and PyOptik versions. Results can change
+when those dependencies or material data are updated. Use **Run** after editing
+any restored value.

{pymiesimx-0.4.0 → pymiesimx-0.4.4}/makefile

@@ -1,7 +1,7 @@
 PYTHON ?= python3
 BUILD_DIR ?= build
 
-.PHONY: quality test build install editable run docker-build docker-run clean release tag patch minor major
+.PHONY: quality test docs build install editable run docker-build docker-run clean release tag patch minor major
 
 quality:
 	$(PYTHON) -m ruff check PyMieSimX tests
@@ -10,6 +10,9 @@ quality:
 test:
 	$(PYTHON) -m pytest
 
+docs:
+	$(PYTHON) -m sphinx -M html docs/source docs/_build
+
 build:
 	$(PYTHON) -m build --outdir $(BUILD_DIR)
 

{pymiesimx-0.4.0 → pymiesimx-0.4.4}/pyproject.toml

@@ -20,6 +20,7 @@ dependencies = [
     "gunicorn>=23.0.0,<24",
     "numpy>=2.0,<3",
     "pandas>=2.2,<3",
+    "pint>=0.24,<0.26",
     "plotly>=5.24,<7",
     "psycopg[binary]>=3.2.9,<4",
 ]
@@ -51,6 +52,12 @@ dev = [
     "mypy==1.15.0",
     "ruff==0.11.2",
 ]
+docs = [
+    "MartinPdeS-docs>=0.2.1,<0.3",
+]
+documentation = [
+    "MartinPdeS-docs>=0.2.1,<0.3",
+]
 
 [tool.setuptools.packages.find]
 include = ["PyMieSimX*"]

pymiesimx-0.4.0/.github/workflows/deploy_PyPi.yml

@@ -1,17 +0,0 @@
-name: Publish to PyPI
-
-on:
-  push:
-    tags: ["v*"]
-
-permissions:
-  contents: read
-
-jobs:
-  publish:
-    uses: MartinPdeS/MPSActions/.github/workflows/publish_pure_package_to_PyPi.yml@v5
-    with:
-      python-version: "3.11"
-      test-command: python -c 'import PyMieSimX'
-    secrets:
-      PYPI_API_TOKEN: ${{ secrets.PYPI_API_TOKEN }}

pymiesimx-0.4.0/.github/workflows/deploy_anaconda.yml

@@ -1,29 +0,0 @@
-name: Publish Conda package
-
-on:
-  workflow_dispatch:
-  push:
-    tags: ["v*"]
-
-permissions:
-  contents: read
-
-jobs:
-  publish:
-    uses: MartinPdeS/MPSActions/.github/workflows/publish_compiled_package_to_anaconda.yml@v6
-    with:
-      python_versions: '["3.11", "3.12", "3.13", "3.14"]'
-      os_list: '["ubuntu-latest", "macos-latest", "windows-latest"]'
-      package_name: pymiesimx
-      recipe_path: conda.recipe
-      test_import: PyMieSimX
-      # Shell startup in the reusable workflow reactivates base, even through
-      # conda run. Invoke the installed environment's interpreter directly.
-      test_command: >-
-        if [ -f '${test_prefix}/python.exe' ]; then
-        '${test_prefix}/python.exe' '${GITHUB_WORKSPACE}/tools/verify_conda_artifact.py';
-        else
-        '${test_prefix}/bin/python' '${GITHUB_WORKSPACE}/tools/verify_conda_artifact.py';
-        fi
-    secrets:
-      ANACONDA_API_TOKEN: ${{ secrets.ANACONDA_API_TOKEN }}

pymiesimx-0.4.0/PyMieSimX.egg-info/scm_version.json

@@ -1,8 +0,0 @@
-{
-  "tag": "0.4.0",
-  "distance": 0,
-  "node": "g6131b4aa6a95ee2656d32918dffe6f87541c13cf",
-  "dirty": false,
-  "branch": "HEAD",
-  "node_date": "2026-10-13"
-}