Metadata-Version: 2.4
Name: InitDecaytor
Version: 0.4.3
Summary: Simulation of the thermal decomposition of free-radical initiators
Author-email: Kevin De Bruycker and Stijn D'hollander <kevindebruycker@gmail.com>
License-Expression: MIT
Classifier: Development Status :: 4 - Beta
Classifier: Operating System :: OS Independent
Classifier: Programming Language :: Python :: 3
Classifier: Programming Language :: Python :: 3.13
Requires-Python: >=3.8
Description-Content-Type: text/markdown
License-File: LICENSE
Requires-Dist: dash>=3.0.4
Requires-Dist: matplotlib
Requires-Dist: numba
Requires-Dist: numpy
Requires-Dist: pandas
Requires-Dist: plotly
Requires-Dist: scipy
Dynamic: license-file

# InitDecaytor
##### _Thermal decomposition of free-radical initiators_

The purpose of this program is to simulate the thermal decomposition of 
free radical initiators based on literature kinetic data and a set of (virtual)
experimental parameters, such as the concentration and temperature.  

Currently, multiple charges of a variety of radical initiators are supported 
at a constant temperature. The end-time of the experiment can be visually represented
based on a desired threshold of initiator relative to its maximum concentration.

Developed on a fresh python install (v3.13) with the most recent package versions in June 2025. 
In case of issues, please consider updating your packages. 

##### How to get started?
Install InitDecaytor:

```bash
pip install InitDecaytor
```

or upgrade if you've installed a previous version before:

```bash
pip install --upgrade InitDecaytor
```

Create a python script, for example `GUI.py`, containing the following code: 

```python
import InitDecaytor

if __name__ == '__main__':
    app = InitDecaytor.GUI()
    app.run(debug=True)
```

Finally, run the script: 
```bash
python GUI.py
```

This  will generate a link to open the user interface in your browser. (Ctrl+)Click the link or copy-paste it manually. Tested with Microsoft Edge.

##### License

InitDecaytor is available free of charge under an MIT License. 
See the LICENCE file for more details.


##### Changelog

###### 0.4
* All important basic functions are now included in the GUI 
  * Some invalid combinations of input elements are now captured
  * Everything seems to work fine, but no thorough checks for bugs performed yet

###### 0.3
* Initial GUI

###### 0.2
* Temperature profiles supported
  * CSV file from the Huber SpyControl software be imported
  * Should be readily expandable to other CSV formats/layouts

###### 0.1
* Initial release



