dsimonne / thorondor

Repository of thorondor python package, used for data analysis in X-ray absorption spectroscopy

Repository regarding the thorondor package

This repository is the parent folder of the thorondor package, it contains the main program, meant to be imported via pip install thorondor. There is also an example notebook in the example folder.

How to use from this website:

Download the package

Using the zip file

• Click on code (the green button above)
• Click on download zip
• De-zip the thorondor-main.zip folder
• Open the folder with your terminal
• Move to the folder where the script setup.py is.

Using git

• Open a folder with your terminal
• Type git clone https://github.com/DSimonne/thorondor.git
• Move to the folder where the script setup.py is.

Install the package

• You can type pip install .
• If that does not work you can try python3 setup.py install

Test and Example

A test of the program can be done on google colabs, by using the notebook in https://github.com/DSimonne/thorondor/tree/main/thorondor/Example

If you want to test on your own environment,, this notebook is automatically installed along with the package.

Future work:

• Try to make a better use of voila packagen it works so far but not crazy, maybe just for plotting in big window
• Better import data tool

thorondor's Issues

getting started with THORONDOR

Hello,

I have some XAS data which I am trying to process. I went ahead and installed the package thorondor using pip install thorondor. I am now having a little difficulty in running it on jupyter notebook. I was wondering if you can help me step by step figure out how to get it running (GUI or widgets)?
Thanks a bunch!

Typo on Donaich model causing error

There is a small typo in the gui.py file where it loads in the peak options on line 1544

thorondor/thorondor/gui.py

Line 1544 in 4471472

("Donaich", DoniachModel)

it reads ("Donaich", DoniachModel)
when it should read ("Donaich", DonaichModel)