PyMieSimX 0.1.1__tar.gz → 0.1.4__tar.gz

{pymiesimx-0.1.1 → pymiesimx-0.1.4}/.coveragerc

@@ -8,6 +8,7 @@ omit =
     PyMieSimX/**/__main__.py
 
 [report]
+fail_under = 52
 skip_covered = True
 show_missing = True
 precision = 2

{pymiesimx-0.1.1 → pymiesimx-0.1.4}/.github/workflows/deploy_PyPi.yml

@@ -1,19 +1,17 @@
-name: Deploy to PyPI
+name: Publish to PyPI
 
 on:
   push:
-    branches: ["master"]
-    tags: ["*"]
-  pull_request:
-    branches: ["master"]
+    tags: ["v*"]
 
 permissions:
   contents: read
 
 jobs:
-  PyPI:
-    uses: MartinPdeS/MPSActions/.github/workflows/publish_pure_package_to_PyPi.yml@master
+  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-0.1.1 → pymiesimx-0.1.4}/.github/workflows/deploy_anaconda.yml

@@ -1,21 +1,20 @@
-name: Deploy Conda Packages
+name: Publish Conda package
 
 on:
   push:
-    branches: [ "master" ]
-    tags: '*'
-  pull_request:
-    branches: [ "master" ]
+    tags: ["v*"]
 
 permissions:
-    contents: write
+  contents: read
 
 jobs:
-  linux:
-    uses: MartinPdeS/MPSActions/.github/workflows/publish_compiled_package_to_anaconda.yml@master
+  publish:
+    uses: MartinPdeS/MPSActions/.github/workflows/publish_compiled_package_to_anaconda.yml@v5
     with:
       python_versions: '["3.11", "3.12", "3.13"]'
-      apt_package: ""
       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-0.1.1 → pymiesimx-0.1.4}/.github/workflows/deploy_coverage.yml

@@ -16,11 +16,11 @@ jobs:
     name: Run GUI tests and publish coverage
     runs-on: ubuntu-latest
     steps:
-      - uses: actions/checkout@v4
+      - uses: actions/checkout@fbc6f3992d24b796d5a048ff273f7fcc4a7b6c09
         with:
           fetch-depth: 0
 
-      - uses: actions/setup-python@v5
+      - uses: actions/setup-python@ece7cb06caefa5fff74198d8649806c4678c61a1
         with:
           python-version: "3.11"
 
@@ -29,6 +29,9 @@ jobs:
           python -m pip install --upgrade pip wheel build
           python -m pip install -e ".[testing]"
 
+      - name: Initialize material catalog
+        run: python -m PyOptik setup --no-progress
+
       - name: Run GUI tests with coverage
         run: |
           coverage erase

pymiesimx-0.1.4/.github/workflows/quality.yml

@@ -0,0 +1,47 @@
+name: Quality and GUI tests
+
+on:
+  push:
+    branches: ["master"]
+  pull_request:
+    branches: ["master"]
+
+permissions:
+  contents: read
+
+jobs:
+  python-quality:
+    runs-on: ubuntu-latest
+    strategy:
+      matrix:
+        python-version: ["3.11", "3.13"]
+    steps:
+      - uses: actions/checkout@fbc6f3992d24b796d5a048ff273f7fcc4a7b6c09
+      - uses: actions/setup-python@ece7cb06caefa5fff74198d8649806c4678c61a1
+        with:
+          python-version: ${{ matrix.python-version }}
+      - name: Install package and quality tools
+        run: python -m pip install --upgrade pip && python -m pip install -e ".[testing,dev]"
+      - name: Initialize material catalog
+        run: python -m PyOptik setup --no-progress
+      - name: Ruff
+        run: python -m ruff check PyMieSimX tests
+      - name: Mypy
+        run: python -m mypy PyMieSimX/gui/parsing.py PyMieSimX/gui/schemas.py PyMieSimX/gui/models.py PyMieSimX/gui/jobs.py PyMieSimX/gui/callback_helpers.py PyMieSimX/gui/admin.py
+      - name: GUI tests
+        run: python -m pytest
+
+  browser-tests:
+    runs-on: ubuntu-latest
+    steps:
+      - uses: actions/checkout@fbc6f3992d24b796d5a048ff273f7fcc4a7b6c09
+      - uses: actions/setup-python@ece7cb06caefa5fff74198d8649806c4678c61a1
+        with:
+          python-version: "3.11"
+      - name: Install package and browser test tools
+        run: python -m pip install --upgrade pip && python -m pip install -e ".[testing,browser]"
+      - name: Initialize material catalog
+        run: python -m PyOptik setup --no-progress
+      - name: Browser workflow tests
+        # The full GUI suite enforces the repository-wide coverage threshold.
+        run: python -m pytest tests/browser --config-file=pytest.ini --headless --cov=PyMieSimX --cov-report=term --cov-fail-under=0

pymiesimx-0.1.4/.github/workflows/tests.yml

@@ -0,0 +1,22 @@
+name: Tests
+
+on:
+  push:
+    branches: [master]
+  pull_request:
+    branches: [master]
+
+permissions:
+  contents: read
+
+jobs:
+  tests:
+    runs-on: ubuntu-latest
+    steps:
+      - uses: actions/checkout@fbc6f3992d24b796d5a048ff273f7fcc4a7b6c09
+      - uses: actions/setup-python@ece7cb06caefa5fff74198d8649806c4678c61a1
+        with:
+          python-version: "3.11"
+      - run: python -m pip install --upgrade pip && python -m pip install -e ".[testing]"
+      - run: python -m PyOptik setup --no-progress
+      - run: python -m pytest -q

{pymiesimx-0.1.1 → pymiesimx-0.1.4}/.gitignore

@@ -10,3 +10,10 @@ dist/
 .coverage
 htmlcov/
 .DS_Store
+!conda.recipe/
+!conda.recipe/meta.yaml
+!CONTRIBUTING.md
+!makefile
+!Makefile
+!tools/
+!tools/*.py

pymiesimx-0.1.4/CONTRIBUTING.md

@@ -0,0 +1,7 @@
+# Contributing to PyMieSimX
+
+Use Python 3.10 or newer. Install development dependencies with `python -m pip install -e ".[testing,dev]"`, then run `make quality` and `make test`.
+
+Releases use semantic version tags. Run `make patch`, `make minor`, or `make major` from a clean `master` checkout; the command creates the release commit, tags it, and pushes both. Publishing workflows run only for `v*` tags.
+
+The Conda recipe is at `conda.recipe/meta.yaml`. Do not commit build artefacts, virtual environments, or caches.

{pymiesimx-0.1.1 → pymiesimx-0.1.4}/Dockerfile

@@ -7,6 +7,7 @@ WORKDIR /app
 COPY . .
 
 RUN python -m pip install --upgrade pip \
-    && python -m pip install --no-cache-dir .
+    && python -m pip install --no-cache-dir . \
+    && python -m PyOptik setup --no-progress
 
 CMD ["sh", "-c", "exec gunicorn PyMieSimX.gui.interface:app --bind 0.0.0.0:${PORT:-8050} --workers 1 --threads 2 --timeout 3600"]

{pymiesimx-0.1.1 → pymiesimx-0.1.4}/PKG-INFO

@@ -1,14 +1,15 @@
 Metadata-Version: 2.4
 Name: PyMieSimX
-Version: 0.1.1
+Version: 0.1.4
 Summary: Graphical Dash interface for PyMieSim.
 Author-email: Martin Poinsinet de Sivry-Houle <martin.poinsinet.de.sivry@gmail.com>
 License-Expression: MIT
 Project-URL: Repository, https://github.com/MartinPdeS/PyMieSimX
-Requires-Python: >=3.10
+Requires-Python: >=3.11
 Description-Content-Type: text/x-rst
 License-File: LICENSE
-Requires-Dist: PyMieSim<6,>=5.1.2
+Requires-Dist: PyMieSim<6,>=5.6.4
+Requires-Dist: PyOptik<4,>=3.2.1
 Requires-Dist: dash<5,>=4.1.0
 Requires-Dist: gunicorn<24,>=23.0.0
 Requires-Dist: numpy<3,>=2.0
@@ -19,6 +20,8 @@ Provides-Extra: testing
 Requires-Dist: pytest>=8.0; extra == "testing"
 Requires-Dist: pytest-cov>=5.0; extra == "testing"
 Requires-Dist: coverage>=7.0; extra == "testing"
+Provides-Extra: browser
+Requires-Dist: dash[testing]<5,>=4.1; extra == "browser"
 Provides-Extra: dev
 Requires-Dist: build>=1.2; extra == "dev"
 Requires-Dist: mypy==1.15.0; extra == "dev"
@@ -46,10 +49,15 @@ solver.
 Installation
 ------------
 
-Install the GUI and its PyMieSim dependency with::
+Install the GUI with PyMieSim and PyOptik with::
 
     pip install PyMieSimX
 
+The first ``pymiesimx`` launch downloads PyOptik's complete
+RefractiveIndex.INFO snapshot. It can also be initialized explicitly with::
+
+    python -m PyOptik setup --no-progress
+
 Launch the dashboard with::
 
     pymiesimx
@@ -104,14 +112,30 @@ The computational API can be used without constructing the Dash application::
 ``PyMieSimX.create_dash_app`` and ``PyMieSimX.OpticalSetupGUI`` remain
 available for applications that need the graphical interface.
 
+Multiple measures
+-----------------
+
+The Parameter Sweep Measures selector accepts several quantities in one run.
+For example, select ``Qsca``, ``Qabs``, and ``Qext`` to compare scattering,
+absorption, and extinction efficiencies. Measures with the same units share a
+plot; different units use separate panels with a shared X axis. CSV exports
+contain a column for each computed measure.
+
+The Python API accepts either a single name or a list, for example
+``run_experiment(..., measure=["Qsca", "Qabs", "Qext"])``. Results include
+``measures`` with every computed name; ``measure`` retains the first name for
+compatibility with existing single-measure callers. Size validation accounts
+for the additional result columns.
+
 Background calculations and limits
 -----------------------------------
 
 Parameter sweeps are submitted to a bounded background worker and reported to
-the dashboard through a polling status indicator. Results are guarded by both
-an in-memory dataframe limit and a serialized Dash-payload limit. Large-result
-warnings are logged before execution; oversized results are rejected with an
-actionable message asking you to reduce the sweep.
+the dashboard with visible queued, running, completed, and error messages beside
+Run. The completed-run card shows the number of result rows. Oversized sweeps are
+rejected with guidance when you click Run. Results are guarded by both an
+in-memory dataframe limit and a serialized Dash-payload limit, with estimated
+size validation before execution and actual size checks after computation.
 
 Run the command-line launcher with ``--debug`` to enable detailed logs. Log
 messages use the format ``timestamp | level | logger | message`` and include
@@ -129,5 +153,17 @@ the Render service with::
 
 PyMieSimX writes namespaced counters to the shared ``metrics_counters`` table:
 ``pymiesimx_home_page_visit_count``, ``pymiesimx_experiment_run_count``, and
-``pymiesimx_single_run_count``. If PostgreSQL is unavailable, local development
-falls back to a JSON file under the platform's application-data directory.
+``pymiesimx_single_run_count``. Metrics are collected only when the PostgreSQL
+backend is explicitly configured and available. Local installations do not
+persist usage counters.
+
+Administration page
+-------------------
+
+Usage counters are shown only on the hidden, token-protected administration
+page. Configure a server-side token with::
+
+    PYMIESIMX_ADMIN_TOKEN=<a long random value>
+
+Then open ``/admin?token=<the same value>``. The page is intentionally absent
+from the public sidebar and refreshes its counters every 30 seconds.

{pymiesimx-0.1.1 → pymiesimx-0.1.4}/PyMieSimX/__main__.py

@@ -5,6 +5,9 @@ import logging
 import sys
 
 
+LOGGER = logging.getLogger(__name__)
+
+
 def _build_argument_parser() -> argparse.ArgumentParser:
     """Create the CLI parser for the dashboard launcher."""
     parser = argparse.ArgumentParser(description="Launch the PyMieSimX dashboard.")

pymiesimx-0.1.4/PyMieSimX/gui/admin.py

@@ -0,0 +1,122 @@
+"""Token-gated administration dashboard for server-side usage counters."""
+
+import hmac
+import os
+from dataclasses import dataclass, field
+from datetime import datetime, timezone
+from typing import Any
+
+from dash import dcc, html
+
+from PyMieSimX.gui import usage_metrics
+from PyMieSimX.gui.components import Card
+
+
+ADMIN_TOKEN_ENV_VAR = "PYMIESIMX_ADMIN_TOKEN"
+REFRESH_INTERVAL_MILLISECONDS = 30_000
+
+
+@dataclass(frozen=True)
+class AdminDashboardData:
+    """Snapshot displayed by the administration dashboard."""
+
+    metrics: usage_metrics.UsageMetrics = field(default_factory=usage_metrics.UsageMetrics)
+    generated_at: str = ""
+
+
+def is_admin_access_granted(provided_token: Any) -> bool:
+    """Return whether the provided token exactly matches server configuration."""
+    configured_token = os.getenv(ADMIN_TOKEN_ENV_VAR, "").strip()
+    candidate_token = str(provided_token or "").strip()
+    return bool(configured_token and candidate_token and hmac.compare_digest(configured_token, candidate_token))
+
+
+def collect_admin_dashboard_data() -> AdminDashboardData:
+    """Load the current server-side usage counters."""
+    return AdminDashboardData(
+        metrics=usage_metrics.load_usage_metrics(),
+        generated_at=f"{datetime.now(timezone.utc).strftime('%Y-%m-%d %H:%M:%S')} UTC",
+    )
+
+
+def metric_text(value: object) -> str:
+    """Format a metric for display, including unavailable local values."""
+    if isinstance(value, float) and value != value:
+        return "NaN"
+    return str(value)
+
+
+def dashboard_values(data: AdminDashboardData) -> tuple[str, str, str, str]:
+    """Return callback-ready metric values and update timestamp."""
+    metrics = data.metrics
+    return (
+        metric_text(metrics.home_page_visit_count),
+        metric_text(metrics.experiment_run_count),
+        metric_text(metrics.single_run_count),
+        f"Last updated: {data.generated_at}",
+    )
+
+
+def build_admin_page(token: str | None) -> html.Div:
+    """Build the hidden dashboard or an intentionally generic denial page."""
+    if not is_admin_access_granted(token):
+        return html.Div(
+            html.Section(
+                className=Card.classes(color="blue", extra="admin-access-card"),
+                children=[
+                    html.H2("Page not available"),
+                    html.P("The requested page is not available on this server."),
+                ],
+            ),
+            className="page-content-stack admin-page",
+        )
+
+    values = dashboard_values(collect_admin_dashboard_data())
+    tiles = (
+        ("admin-home-page-visits", values[0], "Home page visits"),
+        ("admin-experiment-runs", values[1], "Parameter sweeps"),
+        ("admin-single-runs", values[2], "Particle explorations"),
+    )
+    return html.Div(
+        className="page-content-stack admin-page",
+        children=[
+            dcc.Interval(id="admin-refresh-interval", interval=REFRESH_INTERVAL_MILLISECONDS, n_intervals=0),
+            html.Section(
+                className="page-hero",
+                children=[
+                    html.H1("Administration"),
+                    html.P("Server-side PyMieSimX usage metrics.", className="hero-text"),
+                    html.Div(
+                        [
+                            html.Span(values[3], id="admin-last-updated"),
+                            html.Button("Refresh", id="admin-refresh-button", n_clicks=0, className="run-button"),
+                        ],
+                        className="admin-toolbar",
+                    ),
+                ],
+            ),
+            html.Div(
+                [
+                    html.Section(
+                        className=Card.classes(color="blue", extra="admin-metric-card"),
+                        children=[
+                            html.Div(value, id=value_id, className="admin-metric-value"),
+                            html.Div(label, className="admin-metric-label"),
+                        ],
+                    )
+                    for value_id, value, label in tiles
+                ],
+                className="admin-metric-grid",
+            ),
+        ],
+    )
+
+
+__all__ = [
+    "ADMIN_TOKEN_ENV_VAR",
+    "AdminDashboardData",
+    "build_admin_page",
+    "collect_admin_dashboard_data",
+    "dashboard_values",
+    "is_admin_access_granted",
+]