Mb/pymetised

[sesquideus]

Rewrote the internal structure of the *Impl classes to work with InputSets.

• generic and structured tests
• improved initialization script
• more recipes and associated input sets
• working with new SOFs

[hugobuddel]

Looks good!

I'm not sure whether we agreed upon a process. You didn't assign a reviewer, so I'm not sure what process you have in mind. Shall I/you just merge this?

[sesquideus]

Sorry, I was in a hurry then. Please review, I might have missed something.

[hugobuddel]

Great! Thanks @sesquideus . I couldn't fully review this, but since it is clearly an improvement, let's merge this

[hugobuddel]

Note that there is technically not necessary a one-to-one correspondence between the tag, the category, and the filename. But for now this is fine.

[hugobuddel]

What is our process @sesquideus ? With @teutoburg we usually let the person who created the PR merge it.

I like that process, because usually most of the comments I give are not showstoppers, and this lets the author of the PR decide whether it is worth it to make the changes now or later.

[sesquideus]

What is our process @sesquideus ? With @teutoburg we usually let the person who created the PR merge it.

Gladly. I think all of these are valid points but should be postponed until after the first delivery.