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PPeitsch / pkynetics

Pkynetics is a comprehensive library for thermal analysis kinetic methods, including traditional model-fitting and model-free methods, advanced computational techniques, machine learning approaches, and result visualization.
MIT License
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19 fix kissinger module #21

Closed PPeitsch closed 1 month ago

PPeitsch commented 1 month ago

Summary by CodeRabbit

coderabbitai[bot] commented 1 month ago

Walkthrough

The pull request introduces updates to the Pkynetics library, including a version increment from "0.1.0" to "0.2.1". Key changes include the reorganization of imports in __init__.py, the addition of the kissinger_nonlinear_eq function in model_fitting_methods/kissinger.py, and modifications to the kissinger_equation function. Additionally, requirements.txt and setup.py have been updated to reflect new dependencies and version specifications, removing previous dependencies on tensorflow and torch.

Changes

File Path Change Summary
__init__.py Version updated to "0.2.1"; kissinger_method added to __all__; plot_activation_energy removed from __all__.
model_fitting_methods/kissinger.py Added kissinger_nonlinear_eq function; simplified signature of kissinger_equation.
requirements.txt, setup.py Updated dependencies: added numpy, matplotlib, pandas, scipy, statsmodels, scikit-learn, seaborn, pytest, pylint; removed tensorflow and torch.

Possibly related PRs

Poem

In the garden of code, we hop and play,
With kissinger methods brightening the way.
Dependencies shift, like leaves in the breeze,
As we dance through the changes with utmost ease.
A version anew, oh what a delight,
In the world of Pkynetics, everything feels right! 🐇✨

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