ms-components 0.1.0__tar.gz

ms_components-0.1.0/.github/workflows/docs.yml

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+name: Documentation
+on:
+  push:
+    branches:
+      - main
+    tags:
+      - "v*"
+  workflow_dispatch:
+
+concurrency:
+  group: documentation
+  cancel-in-progress: false
+
+permissions:
+  contents: write
+  pages: write
+  id-token: write
+
+jobs:
+  deploy:
+    environment:
+      name: github-pages
+      url: ${{ steps.deployment.outputs.page_url }}
+    runs-on: ubuntu-latest
+    steps:
+      - uses: actions/checkout@v6
+        with:
+          fetch-depth: 0
+      - uses: actions/configure-pages@v6
+      - uses: actions/setup-python@v6
+        with:
+          python-version: 3.x
+      - run: pip install zensical "mkdocstrings[python]" "mike @ git+https://github.com/squidfunk/mike.git"
+      - name: Configure Git author
+        run: |
+          git config user.name "github-actions[bot]"
+          git config user.email "41898282+github-actions[bot]@users.noreply.github.com"
+      - name: Deploy development documentation
+        if: github.ref == 'refs/heads/main'
+        run: |
+          mike deploy --push dev
+          if ! mike list latest >/dev/null 2>&1; then
+            mike set-default --push dev
+          fi
+      - name: Deploy release documentation
+        if: startsWith(github.ref, 'refs/tags/v')
+        run: |
+          mike deploy --push --update-aliases --alias-type redirect "$GITHUB_REF_NAME" latest
+          mike set-default --push latest
+      - name: Export versioned site
+        run: |
+          mkdir -p site
+          git archive gh-pages | tar -x -C site
+      - uses: actions/upload-pages-artifact@v5
+        with:
+          path: site
+      - uses: actions/deploy-pages@v5
+        id: deployment

ms_components-0.1.0/.github/workflows/publish.yml

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+# Publish to PyPI on a GitHub release.
+#
+# No secrets: the job authenticates to PyPI over OIDC (Trusted Publishing).
+# It has to be enabled on the PyPI side *before* the first upload -- for a
+# project that does not exist yet, that is a "pending publisher" under
+# Your projects > Publishing, and it must name this repo, `publish.yml`
+# and the `pypi` environment below.
+name: publish
+
+on:
+  release:
+    types: [published]
+
+jobs:
+  pypi:
+    runs-on: ubuntu-latest
+    environment: pypi
+    permissions:
+      # A permissions block sets every scope it does not name to none, so
+      # checkout needs contents spelled out or it cannot read a private repo.
+      contents: read
+      id-token: write  # mint the OIDC token PyPI checks; no secret involved
+    steps:
+      - uses: actions/checkout@v7
+        with:
+          fetch-depth: 0  # setuptools-scm reads the version off the tag
+      - uses: actions/setup-python@v7
+        with:
+          python-version: "3.12"
+      - run: pipx run build
+      - uses: pypa/gh-action-pypi-publish@release/v1

ms_components-0.1.0/.gitignore

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+### JetBrains template
+# Covers JetBrains IDEs: IntelliJ, RubyMine, PhpStorm, AppCode, PyCharm, CLion, Android Studio, WebStorm and Rider
+# Reference: https://intellij-support.jetbrains.com/hc/en-us/articles/206544839
+
+# User-specific stuff
+.idea/**/workspace.xml
+.idea/**/tasks.xml
+.idea/**/usage.statistics.xml
+.idea/**/dictionaries
+.idea/**/shelf
+
+# AWS User-specific
+.idea/**/aws.xml
+
+# Generated files
+.idea/**/contentModel.xml
+
+# Sensitive or high-churn files
+.idea/**/dataSources/
+.idea/**/dataSources.ids
+.idea/**/dataSources.local.xml
+.idea/**/sqlDataSources.xml
+.idea/**/dynamic.xml
+.idea/**/uiDesigner.xml
+.idea/**/dbnavigator.xml
+
+# Gradle
+.idea/**/gradle.xml
+.idea/**/libraries
+
+# Gradle and Maven with auto-import
+# When using Gradle or Maven with auto-import, you should exclude module files,
+# since they will be recreated, and may cause churn.  Uncomment if using
+# auto-import.
+# .idea/artifacts
+# .idea/compiler.xml
+# .idea/jarRepositories.xml
+# .idea/modules.xml
+# .idea/*.iml
+# .idea/modules
+# *.iml
+# *.ipr
+
+# CMake
+cmake-build-*/
+
+# Mongo Explorer plugin
+.idea/**/mongoSettings.xml
+
+# File-based project format
+*.iws
+
+# IntelliJ
+out/
+
+# mpeltonen/sbt-idea plugin
+.idea_modules/
+
+# JIRA plugin
+atlassian-ide-plugin.xml
+
+# Cursive Clojure plugin
+.idea/replstate.xml
+
+# SonarLint plugin
+.idea/sonarlint/
+
+# Crashlytics plugin (for Android Studio and IntelliJ)
+com_crashlytics_export_strings.xml
+crashlytics.properties
+crashlytics-build.properties
+fabric.properties
+
+# Editor-based Rest Client
+.idea/httpRequests
+
+# Android studio 3.1+ serialized cache file
+.idea/caches/build_file_checksums.ser
+
+### Python template
+# Byte-compiled / optimized / DLL files
+__pycache__/
+*.py[cod]
+*$py.class
+
+# C extensions
+*.so
+
+# Distribution / packaging
+.Python
+build/
+develop-eggs/
+dist/
+downloads/
+eggs/
+.eggs/
+lib/
+lib64/
+parts/
+sdist/
+var/
+wheels/
+share/python-wheels/
+*.egg-info/
+.installed.cfg
+*.egg
+MANIFEST
+
+# PyInstaller
+#  Usually these files are written by a python script from a template
+#  before PyInstaller builds the exe, so as to inject date/other infos into it.
+*.manifest
+*.spec
+
+# Installer logs
+pip-log.txt
+pip-delete-this-directory.txt
+
+# Unit test / coverage reports
+htmlcov/
+.tox/
+.nox/
+.coverage
+.coverage.*
+.cache
+nosetests.xml
+coverage.xml
+*.cover
+*.py,cover
+.hypothesis/
+.pytest_cache/
+cover/
+
+# Translations
+*.mo
+*.pot
+
+# Django stuff:
+*.log
+local_settings.py
+db.sqlite3
+db.sqlite3-journal
+
+# Flask stuff:
+instance/
+.webassets-cache
+
+# Scrapy stuff:
+.scrapy
+
+# Sphinx documentation
+docs/_build/
+
+# PyBuilder
+.pybuilder/
+target/
+
+# Jupyter Notebook
+.ipynb_checkpoints
+
+# IPython
+profile_default/
+ipython_config.py
+
+# pyenv
+#   For a library or package, you might want to ignore these files since the code is
+#   intended to run in multiple environments; otherwise, check them in:
+# .python-version
+
+# pipenv
+#   According to pypa/pipenv#598, it is recommended to include Pipfile.lock in version control.
+#   However, in case of collaboration, if having platform-specific dependencies or dependencies
+#   having no cross-platform support, pipenv may install dependencies that don't work, or not
+#   install all needed dependencies.
+#Pipfile.lock
+
+# poetry
+#   Similar to Pipfile.lock, it is generally recommended to include poetry.lock in version control.
+#   This is especially recommended for binary packages to ensure reproducibility, and is more
+#   commonly ignored for libraries.
+#   https://python-poetry.org/docs/basic-usage/#commit-your-poetrylock-file-to-version-control
+#poetry.lock
+
+# pdm
+#   Similar to Pipfile.lock, it is generally recommended to include pdm.lock in version control.
+#pdm.lock
+#   pdm stores project-wide configurations in .pdm.toml, but it is recommended to not include it
+#   in version control.
+#   https://pdm.fming.dev/latest/usage/project/#working-with-version-control
+.pdm.toml
+.pdm-python
+.pdm-build/
+
+# PEP 582; used by e.g. github.com/David-OConnor/pyflow and github.com/pdm-project/pdm
+__pypackages__/
+
+# Celery stuff
+celerybeat-schedule
+celerybeat.pid
+
+# SageMath parsed files
+*.sage.py
+
+# Environments
+.env
+.venv
+env/
+venv/
+ENV/
+env.bak/
+venv.bak/
+
+# Spyder project settings
+.spyderproject
+.spyproject
+
+# Rope project settings
+.ropeproject
+
+# mkdocs documentation
+/site
+
+# mypy
+.mypy_cache/
+.dmypy.json
+dmypy.json
+
+# Pyre type checker
+.pyre/
+
+# pytype static type analyzer
+.pytype/
+
+# Cython debug symbols
+cython_debug/
+
+# PyCharm
+#  JetBrains specific template is maintained in a separate JetBrains.gitignore that can
+#  be found at https://github.com/github/gitignore/blob/main/Global/JetBrains.gitignore
+#  and can be added to the global gitignore or merged into this file.  For a more nuclear
+#  option (not recommended) you can uncomment the following to ignore the entire idea folder.
+#.idea/
+
+
+.idea/

ms_components-0.1.0/LICENSE

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+MIT License
+
+Copyright (c) 2026 Mario S. Valdés-Tresanco, Mario E. Valdés-Tresanco, Ernesto Moreno, Pedro A. Valiente
+
+Permission is hereby granted, free of charge, to any person obtaining a copy
+of this software and associated documentation files (the "Software"), to deal
+in the Software without restriction, including without limitation the rights
+to use, copy, modify, merge, publish, distribute, sublicense, and/or sell
+copies of the Software, and to permit persons to whom the Software is
+furnished to do so, subject to the following conditions:
+
+The above copyright notice and this permission notice shall be included in all
+copies or substantial portions of the Software.
+
+THE SOFTWARE IS PROVIDED "AS IS", WITHOUT WARRANTY OF ANY KIND, EXPRESS OR
+IMPLIED, INCLUDING BUT NOT LIMITED TO THE WARRANTIES OF MERCHANTABILITY,
+FITNESS FOR A PARTICULAR PURPOSE AND NONINFRINGEMENT. IN NO EVENT SHALL THE
+AUTHORS OR COPYRIGHT HOLDERS BE LIABLE FOR ANY CLAIM, DAMAGES OR OTHER
+LIABILITY, WHETHER IN AN ACTION OF CONTRACT, TORT OR OTHERWISE, ARISING FROM,
+OUT OF OR IN CONNECTION WITH THE SOFTWARE OR THE USE OR OTHER DEALINGS IN THE
+SOFTWARE.

ms_components-0.1.0/PKG-INFO

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+Metadata-Version: 2.4
+Name: ms_components
+Version: 0.1.0
+Summary: PySide6 UI components for MolSuite: smart table, project browser, job monitor, PyMOL dock, steppers.
+Author: Mario S. Valdés-Tresanco, Mario E. Valdés-Tresanco
+License-Expression: MIT
+Project-URL: Homepage, https://github.com/MolSuite/ms_components
+Project-URL: Issues, https://github.com/MolSuite/ms_components/issues
+Keywords: pyside6,qt,widgets,molsuite,table,monitor
+Classifier: Development Status :: 4 - Beta
+Classifier: Intended Audience :: Science/Research
+Classifier: Programming Language :: Python :: 3 :: Only
+Classifier: Operating System :: OS Independent
+Classifier: Topic :: Scientific/Engineering
+Classifier: Environment :: X11 Applications :: Qt
+Requires-Python: >=3.12
+Description-Content-Type: text/markdown
+License-File: LICENSE
+Requires-Dist: ms_flow
+Requires-Dist: PySide6>=6.5
+Requires-Dist: pymol-open-source>=3.2.0a0
+Requires-Dist: sqlmodel>=0.0.14
+Provides-Extra: dev
+Requires-Dist: pytest>=7.0; extra == "dev"
+Dynamic: license-file
+
+# ms_components
+
+PySide6 UI components for MolSuite: smart table, project browser, job monitor,
+PyMOL dock, steppers and the shared theming (`themes/` + `base.qss`).
+
+Part of the [MolSuite](https://molsuite.github.io/) stack. Built on top of
+[`ms_flow`](https://github.com/MolSuite/ms_flow).
+
+## Install
+
+PyMOL is installed automatically from the `pymol-open-source` alpha wheels on
+PyPI (`>=3.2.0a0`):
+
+```bash
+pip install git+https://github.com/MolSuite/ms_flow
+pip install git+https://github.com/MolSuite/ms_components
+```
+
+## License
+
+MIT — see [LICENSE](LICENSE). Third-party icon/asset licenses live in `licenses/`.

ms_components-0.1.0/README.md

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+# ms_components
+
+PySide6 UI components for MolSuite: smart table, project browser, job monitor,
+PyMOL dock, steppers and the shared theming (`themes/` + `base.qss`).
+
+Part of the [MolSuite](https://molsuite.github.io/) stack. Built on top of
+[`ms_flow`](https://github.com/MolSuite/ms_flow).
+
+## Install
+
+PyMOL is installed automatically from the `pymol-open-source` alpha wheels on
+PyPI (`>=3.2.0a0`):
+
+```bash
+pip install git+https://github.com/MolSuite/ms_flow
+pip install git+https://github.com/MolSuite/ms_components
+```
+
+## License
+
+MIT — see [LICENSE](LICENSE). Third-party icon/asset licenses live in `licenses/`.

ms_components-0.1.0/docs/api_reference.md

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+# API reference
+
+The reference below is generated directly from the current Python sources.
+Names beginning with an underscore are implementation details.
+
+## Smart table
+
+::: ms_components.ms_table
+
+## Monitor
+
+::: ms_components.ms_monitor
+
+## Projects
+
+::: ms_components.ms_projects
+
+## Settings
+
+::: ms_components.ms_settings
+
+## PyMOL
+
+::: ms_components.ms_pymol
+
+## Stepper
+
+::: ms_components.ms_stepper
+
+## Tool panel
+
+::: ms_components.tool_panel
+
+## Step dialog
+
+::: ms_components.step_dialog
+
+## Theme
+
+::: ms_components.theme

ms_components-0.1.0/docs/examples.md

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+# Examples
+
+## Tool panel with a simulated run
+
+A themed tool panel whose action bar reports the progress of a fake run driven
+by a timer. In an application, the same calls are driven by job events.
+
+```python
+from PySide6.QtCore import QTimer
+from PySide6.QtWidgets import QApplication, QComboBox, QPushButton, QSpinBox
+
+from ms_components.theme import apply_theme
+from ms_components.tool_panel import ToolPanel
+
+app = QApplication([])
+apply_theme("auto", app)
+
+panel = ToolPanel()
+options = panel.add_section("Options")
+engine = QComboBox()
+engine.addItems(["vina", "vinardo"])
+options.add_row("Scoring function", engine)
+options.add_row("Exhaustiveness", QSpinBox(value=8))
+panel.advanced.add_row("Seed", QSpinBox())
+
+total = 50
+state = {"done": 0}
+bar = panel.action_bar
+bar.set_summary(f"{total} ligands selected")
+run_button = QPushButton("Run")
+bar.add_action(run_button)
+
+timer = QTimer(interval=50)
+
+
+def tick():
+    state["done"] += 1
+    bar.set_progress(state["done"], total, unit="ligands")
+    if state["done"] == total:
+        timer.stop()
+        bar.finish("Done", f"{total} ligands docked")
+
+
+def start():
+    state["done"] = 0
+    bar.start("Docking…")
+    timer.start()
+
+
+timer.timeout.connect(tick)
+run_button.clicked.connect(start)
+
+panel.resize(420, 360)
+panel.show()
+app.exec()
+```
+
+## Three-step wizard
+
+```python
+from PySide6.QtWidgets import QApplication, QLabel, QLineEdit
+
+from ms_components.ms_stepper import QStepper
+from ms_components.theme import apply_theme
+
+app = QApplication([])
+apply_theme("auto", app)
+
+stepper = QStepper()
+
+name_step = stepper.add_step("Project", "Name the project")
+name = QLineEdit()
+name_step.add_widget(name)
+
+files_step = stepper.add_step("Input", "Choose the files")
+files_step.add_widget(QLabel("Ligands: ligands.sdf\nReceptor: receptor.pdb"))
+
+review_step = stepper.add_step("Review", "Check and finish")
+review_step.add_widget(QLabel("Press Finish to create the project."))
+
+stepper.finished.connect(lambda: print("create project", name.text()))
+stepper.finished.connect(app.quit)
+
+stepper.resize(640, 320)
+stepper.show()
+app.exec()
+```
+
+## Job monitor for a running job
+
+Attach the monitor to a `MolSuite` runtime and watch a job advance. The worker
+must live in an importable module:
+
+```python
+# workers.py
+import time
+
+
+def slow_square(payload: dict) -> dict:
+    time.sleep(0.1)
+    value = int(payload["value"])
+    return {"value": value, "square": value * value}
+```
+
+```python
+from PySide6.QtWidgets import QApplication
+
+from ms_components.ms_monitor import MolSuiteMonitorBridge, MolSuiteMonitorWidget
+from ms_components.theme import apply_theme
+from ms_flow.api import MolSuite
+from workers import slow_square
+
+app = QApplication([])
+apply_theme("auto", app)
+
+ms = MolSuite(app_id="monitor-demo")
+ms.create_or_open_project(name="monitor-demo", folder="./monitor-demo", activate=True)
+
+bridge = MolSuiteMonitorBridge(molsuite=ms, poll_ms=500)
+monitor = MolSuiteMonitorWidget(bridge=bridge)
+bridge.start()
+app.aboutToQuit.connect(bridge.stop)   # stop polling before the runtime shuts down
+
+ms.run(
+    name="slow-squares",
+    input=[{"value": value} for value in range(100)],
+    process=slow_square,
+    executor="thread",
+)
+
+monitor.resize(1100, 650)
+monitor.show()
+try:
+    app.exec()
+finally:
+    ms.shutdown()
+```

ms_components-0.1.0/docs/index.md

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+# ms_components
+
+`ms_components` is a set of reusable PySide6 widgets for MolSuite applications:
+SQLModel tables, a job monitor, a project browser, settings panels, a PyMOL
+dock, steppers, tool panels, and the shared theme.
+
+## Install
+
+`ms_components` requires Python 3.12. PyMOL comes from the
+`pymol-open-source` alpha wheels on PyPI and is installed automatically as a
+dependency; no conda environment is needed. Until the MolSuite packages are
+published on PyPI, install them from Git:
+
+```bash
+pip install "ms_flow @ git+https://github.com/MolSuite/ms_flow"
+pip install "ms_components @ git+https://github.com/MolSuite/ms_components"
+```
+
+## Components
+
+| Module | Responsibility |
+| --- | --- |
+| `ms_components.ms_table` | Declarative, paginated table over SQLModel |
+| `ms_components.ms_monitor` | Job, executor, and event monitor for a MolSuite runtime |
+| `ms_components.ms_projects` | Project browser and project menu |
+| `ms_components.ms_settings` | Typed editor for application settings |
+| `ms_components.ms_pymol` | PyMOL dock and control bar |
+| `ms_components.ms_stepper` | Step-by-step wizard widget |
+| `ms_components.tool_panel` | Configure-then-run frame shared by tools |
+| `ms_components.step_dialog` | Dialog that runs provisioning steps off the GUI thread |
+| `ms_components.theme` | Themes, palette roles, and fonts |
+
+Every component receives its dependencies through the constructor. The package
+keeps no UI singleton and never creates a Qt application implicitly.
+
+## Quick look
+
+```python
+from PySide6.QtWidgets import QApplication, QLineEdit
+
+from ms_components.theme import apply_theme
+from ms_components.tool_panel import ToolPanel
+
+app = QApplication([])
+apply_theme("auto", app)
+
+panel = ToolPanel()
+section = panel.add_section("Input")
+section.add_row("Name", QLineEdit())
+panel.show()
+app.exec()
+```
+
+Continue with the [API guide](usage.md), copy a complete
+[example](examples.md), or browse the generated [API reference](api_reference.md).
+
+## License
+
+`ms_components` is released under the MIT License. Icon and asset licenses are
+listed in the `licenses/` directory of the repository.