Metadata-Version: 2.1
Name: sierras
Version: 0.2.5
Summary: A tool for empirical Arrhenius equation fitting for thermally-induced physicochemical processes.
Author-email: Francisco Fernandez <ffernandev@gmail.com>
License: MIT License
        
        Copyright (c) 2021-2023 Francisco Fernandez
        
        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.
        
Project-URL: Homepage, https://github.com/fernandezfran/sierras
Keywords: arrhenius-process,arrhenius-equation,arrhenius-fitting,arrhenius-plot
Classifier: Development Status :: 4 - Beta
Classifier: Intended Audience :: Science/Research
Classifier: Operating System :: OS Independent
Classifier: Programming Language :: Python
Classifier: Programming Language :: Python :: 3.8
Classifier: Programming Language :: Python :: 3.9
Classifier: Programming Language :: Python :: 3.10
Classifier: Programming Language :: Python :: 3.11
Classifier: Topic :: Scientific/Engineering
Description-Content-Type: text/markdown
License-File: LICENSE

# sierras

[![Github Actions CI](https://github.com/fernandezfran/sierras/actions/workflows/sierras_ci.yml/badge.svg)](https://github.com/fernandezfran/sierras/actions/workflows/sierras_ci.yml)
[![Coverage Status](https://coveralls.io/repos/github/fernandezfran/sierras/badge.svg)](https://coveralls.io/github/fernandezfran/sierras)
[![Documentation Status](https://readthedocs.org/projects/sierras/badge/?version=latest)](https://sierras.readthedocs.io/en/latest/?badge=latest)
[![PyPI](https://img.shields.io/pypi/v/sierras)](https://pypi.org/project/sierras/)
[![python version](https://img.shields.io/badge/python-3.8%2B-4584b6)](https://www.python.org/)
[![mit license](https://img.shields.io/badge/License-MIT-ffde57)](https://github.com/fernandezfran/sierras/blob/main/LICENSE)
[![downloads](https://static.pepy.tech/badge/sierras)](https://pepy.tech/project/sierras)
[![diseno_sci_sfw](https://img.shields.io/badge/DiSoftCompCi-FAMAF-ffda00)](https://github.com/leliel12/diseno_sci_sfw)

**sierras** is a tool for empirical Arrhenius equation fitting for 
thermally-induced physicochemical processes.


## Requirements

You need Python 3.8+ to run sierras.


## Installation

You can install the most recent stable release of sierras with 
[pip](https://pip.pypa.io/en/latest/)

```
python -m pip install -U pip
python -m pip install -U sierras
```


## Usage

A simple example of use:

```python
from sierras import ArrheniusRegressor

# default constant is Boltzmann in eV/K
areg = ArrheniusRegressor()

# temperatures and target_process arrays-like as usually used in scikit-learn 
areg.fit(Temperatures, target_process)

# print the activation energy ([eV] in the default case) and the extrapolated 
# process at room temperatures values (in the same units as target_process is)
print(areg.activation_energy_, areg.extrapolated_process_)

# plot the fitting
fig, ax = plt.subplots()
areg.plot(ax=ax)
```


For a more detailed explanation you can read the 
[tutorial](https://sierras.readthedocs.io/en/latest/tutorial.html) 
and the [API](https://sierras.readthedocs.io/en/latest/api.html).


## License

[MIT License](https://github.com/fernandezfran/sierras/blob/master/LICENSE)


## Contact info

You can contact me at <ffernandev@gmail.com>
