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An user told me he was getting a "TclError: out of stack space (infinite loop?)" after pressing the "calculate" button in the GUI. I don't know what kind of system he used and I have received no answer from him.

If anyone happens to come across this, please add some information, for I have been unable to reproduce it.

Running with Matplotlib version 3.2.0.

Get the following error when trying to launch xpecgen gui.

(base) C:\Users\easyXAFS>xpecgen
Traceback (most recent call last):
  File "c:\tools\anaconda3\lib\runpy.py", line 194, in _run_module_as_main
    return _run_code(code, main_globals, None,
  File "c:\tools\anaconda3\lib\runpy.py", line 87, in _run_code
    exec(code, run_globals)
  File "C:\tools\Anaconda3\Scripts\xpecgen.exe\__main__.py", line 4, in <module>
  File "c:\tools\anaconda3\lib\site-packages\xpecgen\xpecgenGUI.py", line 13, in <module>
    from matplotlib.backends.backend_tkagg import FigureCanvasTkAgg, NavigationToolbar2TkAgg
ImportError: cannot import name 'NavigationToolbar2TkAgg' from 'matplotlib.backends.backend_tkagg' (c:\tools\anaconda3\lib\site-packages\matplotlib\backends\backend_tkagg.py)

Seems to be a name change on the part of matplotlib: NavigationToolbar2TkAgg -> NavigationToolbar2Tk
https://stackoverflow.com/questions/50330320/what-to-use-instead-of-navigationtoolbar2tkagg

I can submit a PR changing the names if that would be helpful.

• Add docstrings for all public methods
• Host generated documentation online

openjournals/joss-reviews#62

It seems that the NavigationToolbar2TkAgg protected attributes that were recklessly used in the code have changed. This results in the plot not being able to be updated in the GUI in recent versions of matplotlib (I guess).

I believe the screenshot of the interpreter usage example (img/DemoConsole.png) is out of date. Following it throws the following error:
module 'xpecgen' has no attribute 'calculate_spectrum'
I believe this is the correct way to load it in:
from xpecgen import xpecgen as xg

I would fix it myself and submit a PR but on a mac and the UI would contrast with your GUI example screenshot.

• Improve the statement of need, identify the target audience.
• Mention the URL in the paper.

openjournals/joss-reviews#62

Make the code python 2-3 compatible.

• Describe how to reproduce the screenshots.
• Extend the community guidelines.

openjournals/joss-reviews#62

Include an automated set of tests.

openjournals/joss-reviews#62

Here from the JOSS review thread:

This project is not organized in the canonical ways a distributable piece of code should be in the standard Python universe. I recommend reviewing https://packaging.python.org/ and adding a setup.py. Consider distributing commandline behaviors as entry_points console scripts.
Organizing and distributing your code in standard ways makes it more likely that other OSS users can take advantage of your brilliance.

Making the package pip / conda installable would make it much easier to get going as a user.

openjournals/joss-reviews#62