search

OpenChemistry / chemicaljson

Development of the Chemical JSON data representation
63 stars 15 forks source link

Add Pydantic schema model for documentation and feedback #16

Closed ghutchis closed 1 year ago

ghutchis commented 2 years ago

Signed-off-by: Geoff Hutchison geoff.hutchison@gmail.com

ghutchis commented 2 years ago

Yes, this is a superset of what's currently supported in avogadrolibs .. mostly in the spectra.

I also haven't spent enough time to make sure properties roundtrip.

ghutchis commented 1 year ago

For now, I'm going to leave the case formatting. I used some tools to help build this up from examples.

If you'd like to fix the code to camelCase or snake_case, that would be great.