pyflowbatt 0.2.0rc1__tar.gz

pyflowbatt-0.2.0rc1/.github/workflows/CI.yml

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+name: CI
+
+on:
+  push:
+    branches: [ "main" ]
+    tags:
+      - v[0-9]+.[0-9]+.[0-9]+*
+  pull_request:
+    branches: [ "*" ]
+
+permissions:
+  contents: read
+
+jobs:
+  test:
+    name: Test with Pytest
+    runs-on: ubuntu-latest
+    strategy:
+      matrix:
+        python-version: ["3.10","3.11","3.12","3.13","3.14"]
+
+    steps:
+      - uses: actions/checkout@v4
+
+      - name: Install uv and set the Python version
+        uses: astral-sh/setup-uv@v5
+        with:
+          enable-cache: true
+          python-version: ${{ matrix.python-version }}
+
+      - name: Install dependencies
+        run: |
+          uv pip install ruff pytest pytest-cov
+          uv pip install -e .
+
+      - name: Lint with ruff
+        run: ruff check --select=F,E9,B
+
+      - name: Run tests with pytest
+        run: pytest --cov=pyflowbatt --cov-report=term
+
+  publish:
+    name: Publish to PyPI
+    needs: test
+    if: startsWith(github.ref, 'refs/tags/v') && github.repository == 'EmpaEconversion/PyFlowBatt'
+    runs-on: ubuntu-latest
+    permissions:
+      id-token: write
+      contents: write
+    steps:
+      - name: Checkout code
+        uses: actions/checkout@v6
+      - name: Set up Python
+        uses: actions/setup-python@v6
+        with:
+          python-version: '3.12'
+      - name: Install build
+        run: pip install build
+      - name: Build package
+        run: python -m build
+      - name: Publish to PyPI
+        uses: pypa/gh-action-pypi-publish@release/v1
+      - name: Create GitHub release
+        uses: softprops/action-gh-release@v2
+        with:
+          generate_release_notes: true

pyflowbatt-0.2.0rc1/.gitignore

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+# Byte-compiled / optimized / DLL files
+__pycache__/
+*.py[codz]
+*$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
+
+# UV
+#   Similar to Pipfile.lock, it is generally recommended to include uv.lock in version control.
+#   This is especially recommended for binary packages to ensure reproducibility, and is more
+#   commonly ignored for libraries.
+# uv.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
+# poetry.toml
+
+# pdm
+#   Similar to Pipfile.lock, it is generally recommended to include pdm.lock in version control.
+#   pdm recommends including project-wide configuration in pdm.toml, but excluding .pdm-python.
+#   https://pdm-project.org/en/latest/usage/project/#working-with-version-control
+# pdm.lock
+# pdm.toml
+.pdm-python
+.pdm-build/
+
+# pixi
+#   Similar to Pipfile.lock, it is generally recommended to include pixi.lock in version control.
+# pixi.lock
+#   Pixi creates a virtual environment in the .pixi directory, just like venv module creates one
+#   in the .venv directory. It is recommended not to include this directory in version control.
+.pixi
+
+# PEP 582; used by e.g. github.com/David-OConnor/pyflow and github.com/pdm-project/pdm
+__pypackages__/
+
+# Celery stuff
+celerybeat-schedule
+celerybeat.pid
+
+# Redis
+*.rdb
+*.aof
+*.pid
+
+# RabbitMQ
+mnesia/
+rabbitmq/
+rabbitmq-data/
+
+# ActiveMQ
+activemq-data/
+
+# SageMath parsed files
+*.sage.py
+
+# Environments
+.env
+.envrc
+.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/
+
+# Abstra
+#   Abstra is an AI-powered process automation framework.
+#   Ignore directories containing user credentials, local state, and settings.
+#   Learn more at https://abstra.io/docs
+.abstra/
+
+# Visual Studio Code
+#   Visual Studio Code specific template is maintained in a separate VisualStudioCode.gitignore 
+#   that can be found at https://github.com/github/gitignore/blob/main/Global/VisualStudioCode.gitignore
+#   and can be added to the global gitignore or merged into this file. However, if you prefer, 
+#   you could uncomment the following to ignore the entire vscode folder
+.vscode/
+
+# Ruff stuff:
+.ruff_cache/
+
+# PyPI configuration file
+.pypirc
+
+# Marimo
+marimo/_static/
+marimo/_lsp/
+__marimo__/
+
+# Streamlit
+.streamlit/secrets.toml

pyflowbatt-0.2.0rc1/.pre-commit-config.yaml

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+repos:
+  - repo: https://github.com/astral-sh/ruff-pre-commit
+    rev: v0.15.20
+    hooks:
+      - id: ruff-check
+        args: ["--fix", "--select=F,E9,B"]
+      - id: ruff-format
+
+  - repo: https://github.com/astral-sh/uv-pre-commit
+    rev: 0.11.28
+    hooks:
+      - id: uv-lock

pyflowbatt-0.2.0rc1/PKG-INFO

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+Metadata-Version: 2.4
+Name: pyflowbatt
+Version: 0.2.0rc1
+Summary: Tools for analysing data from the flow battery lab at Empa
+Requires-Python: >=3.10
+Requires-Dist: batterydf<0.2.0,>=0.1.0
+Requires-Dist: battinfoconverter-backend>=3.2.0
+Requires-Dist: impedance>=1.7.1
+Requires-Dist: matplotlib>=3.10.6
+Requires-Dist: pandas>=2.3.2
+Requires-Dist: pyarrow>=21.0.0
+Requires-Dist: rocrate>=0.9
+Requires-Dist: tomli>=2.0.0; python_version < '3.11'
+Requires-Dist: xlsxwriter>=3.2.9
+Requires-Dist: yadg<7.0.0,>=6.2.2
+Provides-Extra: dev
+Requires-Dist: bumpver>=2025.1131; extra == 'dev'
+Requires-Dist: pre-commit>=4.2.0; extra == 'dev'
+Requires-Dist: pytest>=8.4.2; extra == 'dev'
+Requires-Dist: ruff>=0.13.2; extra == 'dev'
+Description-Content-Type: text/markdown
+
+# 🌊 PyFlowBatt
+
+This Python package contains functions and a CLI for analysing data from the flow battery lab at Empa.
+
+
+## Installation
+
+Use Python >3.10, and install with pip:
+```
+pip install git+https://github.com/empaeconversion/pyflowbatt.git
+```
+
+## Usage
+
+Use in a terminal (e.g. Command Prompt or PowerShell).
+
+To analyse data and get a full summary and ro-crate, use `pyflowbatt --folder="path/to/your/folder"`.
+
+To zip everything at the end (e.g. to upload to Zenodo), use `pyflowbatt --folder="path/to/your/folder" --zip`.
+
+You can also navigate to a folder e.g.
+```
+cd path/to/your/folder
+pyflowbatt
+```
+PyFlowBatt will automatically scan for files like GCPL, EIS, LSV, CV, as well as BattInfo Converter .xlsx files, process the data, convert to battery data format, produce summary graphs and excel reports, create a BattInfo JSON-LD metadata file, and a top level ro-crate metadata file.
+
+A full analysis can take a while. You can do a 'dry run' to check what files *would* be analysed:
+```
+pyflowbatt --dry
+```
+
+```
+pyflowbatt --dry --folder="path/to/your/folder" --zip
+```
+This is useful for checking everything is in order before running a long analysis.
+
+You can override some settings by adding a `pyflowbatt.toml` file to a sample folder, parent folder, or your home folder. Use `pyflowbatt init` to create a template file and see what can be modified.
+
+## Using in Python
+
+You can also use the functions in Python, e.g.
+
+```python
+# Use individual functions
+from pyflowbatt import gcpl, lsv, cv
+from pyflowbatt.read import read_to_bdf
+
+df = read_to_bdf("path/to/my/gcpl-file")
+df, cycle_df = gcpl.analyse(df)
+
+cv_df = read_to_bdf("path/to/my/cv-file")
+cv_df, cv_cycle_df, capacitance_mF = cv.analyse(cv_df)
+
+lsv_df = read_to_bdf("path/to/my/lsv-file")
+lsv_result_dict = lsv.analyse(lsv_df)
+
+# Or run the full analysis on folders
+from pyflowbatt.analysis import analyse_sample, analyse_all_samples
+analyse_sample("path/to/sample/folder")
+analyse_all_samples("path/to/parent/folder/of/many/samples")
+```
+
+## For contributors
+
+If you find bugs, or want new features, open an *issue* on the GitHub page.
+
+If you want to directly contribute to the project, first clone the repo and install it as editable with developer dependencies:
+```
+git clone https://github.com/empaeconversion/pyflowbatt.git
+
+cd pyflowbatt
+
+pip install -e .[dev]
+```
+Then open this folder in an editor like VSCode.
+
+You should always create a new branch before making edits, `main` is only for tested, working code that everyone can use.
+
+E.g. make and switch to a new branch with
+```
+git checkout -b new-feature
+```
+
+You have now branched off the `main` PyFlowBatt into your own branch called e.g. `new-feature`. Now you can do whatever you like and it won't affect the `main` branch.
+
+When you have made and committed some changes that add a feature or fix a problem, and you want to put them into `main`, open a *pull request* on GitHub.

pyflowbatt-0.2.0rc1/README.md

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+# 🌊 PyFlowBatt
+
+This Python package contains functions and a CLI for analysing data from the flow battery lab at Empa.
+
+
+## Installation
+
+Use Python >3.10, and install with pip:
+```
+pip install git+https://github.com/empaeconversion/pyflowbatt.git
+```
+
+## Usage
+
+Use in a terminal (e.g. Command Prompt or PowerShell).
+
+To analyse data and get a full summary and ro-crate, use `pyflowbatt --folder="path/to/your/folder"`.
+
+To zip everything at the end (e.g. to upload to Zenodo), use `pyflowbatt --folder="path/to/your/folder" --zip`.
+
+You can also navigate to a folder e.g.
+```
+cd path/to/your/folder
+pyflowbatt
+```
+PyFlowBatt will automatically scan for files like GCPL, EIS, LSV, CV, as well as BattInfo Converter .xlsx files, process the data, convert to battery data format, produce summary graphs and excel reports, create a BattInfo JSON-LD metadata file, and a top level ro-crate metadata file.
+
+A full analysis can take a while. You can do a 'dry run' to check what files *would* be analysed:
+```
+pyflowbatt --dry
+```
+
+```
+pyflowbatt --dry --folder="path/to/your/folder" --zip
+```
+This is useful for checking everything is in order before running a long analysis.
+
+You can override some settings by adding a `pyflowbatt.toml` file to a sample folder, parent folder, or your home folder. Use `pyflowbatt init` to create a template file and see what can be modified.
+
+## Using in Python
+
+You can also use the functions in Python, e.g.
+
+```python
+# Use individual functions
+from pyflowbatt import gcpl, lsv, cv
+from pyflowbatt.read import read_to_bdf
+
+df = read_to_bdf("path/to/my/gcpl-file")
+df, cycle_df = gcpl.analyse(df)
+
+cv_df = read_to_bdf("path/to/my/cv-file")
+cv_df, cv_cycle_df, capacitance_mF = cv.analyse(cv_df)
+
+lsv_df = read_to_bdf("path/to/my/lsv-file")
+lsv_result_dict = lsv.analyse(lsv_df)
+
+# Or run the full analysis on folders
+from pyflowbatt.analysis import analyse_sample, analyse_all_samples
+analyse_sample("path/to/sample/folder")
+analyse_all_samples("path/to/parent/folder/of/many/samples")
+```
+
+## For contributors
+
+If you find bugs, or want new features, open an *issue* on the GitHub page.
+
+If you want to directly contribute to the project, first clone the repo and install it as editable with developer dependencies:
+```
+git clone https://github.com/empaeconversion/pyflowbatt.git
+
+cd pyflowbatt
+
+pip install -e .[dev]
+```
+Then open this folder in an editor like VSCode.
+
+You should always create a new branch before making edits, `main` is only for tested, working code that everyone can use.
+
+E.g. make and switch to a new branch with
+```
+git checkout -b new-feature
+```
+
+You have now branched off the `main` PyFlowBatt into your own branch called e.g. `new-feature`. Now you can do whatever you like and it won't affect the `main` branch.
+
+When you have made and committed some changes that add a feature or fix a problem, and you want to put them into `main`, open a *pull request* on GitHub.

pyflowbatt-0.2.0rc1/pyflowbatt/__init__.py

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+"""PyFlowBatt."""