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Contributing

This repository is a Python study port of Michael Honeychurch's Simulating Electrochemical Reactions in Mathematica. Contributions — fixes, clearer explanations, tighter validations, new worked examples — are welcome.

Ground rules

  • Every notebook must execute cleanly, end to end. CI runs all notebooks on each push and pull request (.github/workflows/ci.yml) and fails on any error or failed assert. A pull request needs to keep CI green.
  • Keep the validation honest. Each chapter checks itself with asserts against a closed-form or independently-computed reference. If you change the science, keep (or add) such a check — don't loosen a validation just to make it pass.
  • Reuse the package. Shared code lives in the serp/ package (solvers, waveforms, filters, plotting, and the echem library of analytic references). Import from it rather than re-implementing.

Setup

git clone https://github.com/NGeorgescu/simulating-electrochemical-reactions-in-python.git
cd simulating-electrochemical-reactions-in-python

python3 -m venv .venv
.venv/bin/pip install -r requirements.txt
.venv/bin/jupyter lab

Running the checks locally

Reproduce what CI does:

for nb in notebooks/*.ipynb; do
  .venv/bin/jupyter nbconvert --to notebook --execute --inplace "$nb"
done

A clean run means every chapter's asserts held.

Reporting issues

Open a GitHub issue with the chapter/notebook, what you expected, and the error or the failing assert. The notebooks render directly on GitHub, so feel free to link the specific cell.