Metadata-Version: 2.4
Name: kimmdy-reactions
Version: 1.0.0
Summary: Reaction template for KIMMDY
Author: Kai Riedmiller
Author-email: kai.riedmiller@h-its.org
License: MIT
Classifier: Programming Language :: Python :: 3
Classifier: License :: OSI Approved :: MIT License
Classifier: Operating System :: OS Independent
Requires-Python: >=3.9
Description-Content-Type: text/markdown
License-File: LICENSE
Requires-Dist: MDAnalysis
Provides-Extra: dev
Requires-Dist: kimmdy; extra == "dev"
Requires-Dist: pytest; extra == "dev"
Requires-Dist: tox; extra == "dev"
Requires-Dist: black; extra == "dev"
Requires-Dist: hypothesis; extra == "dev"
Requires-Dist: jupyter; extra == "dev"
Requires-Dist: griffe<1.0.0,>=0.33; extra == "dev"
Requires-Dist: quartodoc; extra == "dev"
Dynamic: license-file

# A collection of simple reactions for KIMMDY

[![test latest release](https://github.com/graeter-group/kimmdy-reactions/actions/workflows/tests.yml/badge.svg?branch=release-please--branches--main)](https://github.com/graeter-group/kimmdy-reactions/actions/workflows/tests.yml/?branch=release-please--branches--main)

## Documentation

See [KIMMDY documentation](https://graeter-group.github.io/kimmdy/)
and [documentation for these reactions](https://graeter-group.github.io/kimmdy-reactions/).

## Installation

Together with KIMMDY

```bash
pip installl kimmdy[reactions]
```

To install it separatly:

```bash
pip install kimmdy-reactions
```

## Making your own

- Implement your reaction as a subclass of `kimmdy.reaction.Reaction`
- Register your Reaction class in the **[options.entry_points]** section in the setup.cfg.
  The name you give here must match the entry in the config.yml for Kimmdy!

