07-29-2021 Thompson-Mitchell check-in

Status of OpenFF theme unification?

• Kinda in a holding pattern until somebody pulls the trigger

• Josh will gather requirements and input from Simon, once those are satisfied then we will pull the trigger on merging it into Interchange and the toolkit (order unclear)

• Isn’t blocked or blocked by the doc refresh(es) or setting up auto-api

  • Actually might be better to hold off while changes to docs happen

Plan

Do these things (in this order)

1. Fix/complete docstrings

   1. including module-level docstrings (one-sentence)

   2. make sure all modules that shouldn’t be public aren’t public (or at least make sure functions and classes that aren’t intened to be part of the public API are prefixed with an underscore)

   3. Make sure all modules have __init__.py files

   4. Matt will write, Josh will review

2. Set up auto-api docs (merged #255)

   1. @Josh Mitchell will look into cleaner representations of classes based on Pydantic models, i.e. how openff-qcsubmit does it (sphinx-pydantic or something)

3. Write more user guide/FAQ type docs

4. Merge OpenFF theme (can be anywhere between 3 and 4)