Lily Wang

@jbarnoud Thanks for having a look! > One thing to be aware of is that some contexts will require maintenance and careful versioning. Yes, this is why I think being...

@richardjgowers as `masses` is a mandatory attribute, parsers would guess it themselves. `guess_TopologyAttr` just overwrites whatever values previously existed. For magical guessing, if we write the mass guesser to also...

> So would it make sense for the context to do the guessing? It could! I left it as a classmethod because I like x.from(y), but it’s probably easier to...

Ok, `groupselections` are selected from target Universe here: https://github.com/MDAnalysis/mdanalysis/blob/31929685389638232b8f22a2ee9cc63bd659f8d5/package/MDAnalysis/analysis/rms.py#L517-L522 But the reference groupselection is selected from the given reference `AtomGroup` here: https://github.com/MDAnalysis/mdanalysis/blob/31929685389638232b8f22a2ee9cc63bd659f8d5/package/MDAnalysis/analysis/rms.py#L592-L596 It seems to me that the below check...

Sure :) There are actually *two* issues here, and people should feel welcome to only fix one in a PR if they want. The important errors are: ``` >>> ref...

Anyone looking to do this could take inspiration from `dist`: https://docs.mdanalysis.org/1.1.0/documentation_pages/analysis/distances.html#MDAnalysis.analysis.distances.dist

> The mission of deciding how an attribute will be guessed will be carried out by the corresponding attribute guesser method related to each class. I think in this way...

+1 on being apprehensive about autoformatters. My main objection is what they do to commit history. It's useful to look at a line of code and see who committed it...

https://github.com/marketplace/pep-8-speaks may be of interest. Edit: instead of adding a check that can fail, it simply comments so contributors and reviewers can decide if they want to follow suggestions or...

The decorator is interesting. I suppose it makes things more consistent, but it does make writing documentation a bit more annoying (having to check what string is actually replaced)... and...