Tutorial

[eimrek]

A jupyter notebook based tutorial, that contains source data, explains it, and start the API.

The jupyter code blocks are only used to demonstrate python-based querying to the running API that needs to be started on the background.

Uses the dir-entry-paths PR to contain a directory of cif files -- easier for users to open it up, and inspect the source files.

Added a note to README as well.

Let me know what you think of this @ml-evs. Happy to adapt as you think makes sense.

[ml-evs]

Thanks for this @eimrek! Again looks great and would be happy to pull the trigger already.

Minor thoughts:

• We could include running optimake convert as a shell command in the notebook as !optimake convert and maybe even !optimake serve & would also work?
• This would let us run this notebook directly in the CI (using nbval) but perhaps this isn't necessary as the example will already be tested.

[eimrek]

thanks @ml-evs! I tried to use !optimake serve & but wasn't able to get it to work in a notebook. I wasn't sure about where to mention optimake convert, as it's not strictly necessary for the use case the tutorial demonstrates. But feel free to add it and also any testing, as you think is best. Happy to review :)

[ml-evs]

I'm happy if you're happy! Have we just reached v1.0???

[eimrek]

Have we just reached v1.0???

We might just have! 🥳