/Catacycle_Web

A web-based interface to generate visualizations of the rates of various steps in a catalytic cycle, which can be customized by the user. Population of a web form using known data will generate a graphic for annotation by the user to represent their chemistry.

Primary LanguagePythonMIT LicenseMIT

Catacycle

A web-based interface to generate visualizations of the rates of various steps in a catalytic cycle, which can be customized by the user. Population of a web form using known data will generate a graphic for annotation by the user to represent their chemistry. The running Catacycle app can be found at www.Catacycle.com.

Run it Locally

  1. Create a python virtual environment with a python 3.7 interpreter. It may well work on earlier python versions but this is untested.
  2. In the main Catacycle directory, and within the virtual environment, run pip install -r requirements.txt
  3. python flask_app2.py
  4. Visit http://localhost:5000 in your web browser.

The Code

The main python components lie within the app subdirectory.

  • drawing_helpers.py contains the implementation of drawing individual arrows using matplotlib functions.
  • oboros.py strings together the drawing functions to create a cycle using the input from the web form.
  • form.py and routes.py contain the backend of the website using the flask framework.