[Utils] Utils.py has unfinished to-do and lacks testing

Question

Closed this issue a year ago · 4 comments

The utils.py has a large to-do block here Is implementation of this is still needed?

Also, mol_loader() needs tests written for it in test_util.py

Answer 1 · 2023-06-10T12:59:49.000Z

I think that @FanwangM may already have code to do this, probably in a different repository for a different project.

Answer 2 · 2023-06-10T13:00:34.000Z

I can also imagine outsourcing this to an external package, and just require the user to handle the input. I think it's a good question for @FanwangM

Answer 3 · 2023-06-12T18:44:08.000Z

This add-on should be demonstrated with a Jupyter Notebook, and not part of the main package I think.

Answer 4 · 2023-06-27T13:27:46.000Z

I think it's safe to move it to Jupyter Notebook, which will be converted into static website pages later. @AWBroscius

Sorry for the late reply.