Metadata-Version: 2.4
Name: smoldynutils
Version: 0.1.0
Summary: A small collection of utility tools to process the output of Smoldyn simulations.
License: MIT
License-File: LICENSE.md
Keywords: smoldyn,simulation,modeling
Author: Fabian Ormersbach
Author-email: fabian.ormersbach@maastrichtuniversity.nl
Requires-Python: >=3.12
Classifier: License :: OSI Approved :: MIT License
Classifier: Programming Language :: Python :: 3
Requires-Dist: matplotlib (>=3.10.8,<4.0.0)
Requires-Dist: numpy (>=2.4.2,<3.0.0)
Requires-Dist: pandas (>=3.0.0,<4.0.0)
Requires-Dist: scipy (>=1.17.0,<2.0.0)
Requires-Dist: seaborn (>=0.13.2,<0.14.0)
Project-URL: Homepage, https://github.com/rgrosseholz/smoldynutils
Project-URL: Issues, https://github.com/rgrosseholz/smoldynutils/issues
Project-URL: Repository, https://github.com/rgrosseholz/smoldynutils
Description-Content-Type: text/markdown

# smoldynutils
Utilities for parsing, analyzing, and visualizing Smoldyn simulation outputs.

## Installation
From GitHub with poetry:
```bash
git clone https://github.com/rgrosseholz/smoldynutils.git
cd smoldynutils
poetry install
poetry shell
```

Or via pip:
```bash
pip install smoldynutils
```

## Quickstart
```python
from smoldynutils.parser import SmoldynParser

parser = SmoldynParser(delimiter=",")
trajectories = parser.parse_fixed_grid("molpos_output.txt")

for traj in trajectories:
    print(traj.positions)
```

## Authors
Fabian Ormersbach, Maastricht Centre for Systems Biology and Bioinformatics, Maastricht University  
Ruth Grosseholz, Maastricht Centre for Systems Biology and Bioinformatics, Maastricht University

## License
This project is licensed under the MIT License. See `LICENSE.md` for details.

