Closed ljwoods2 closed 4 months ago
Hi @ljwoods2! Thanks for making this PR. We linted your code and found the following:
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@ljwoods2 as I think you know, this will have to be held, until the zarrtraj stuff is more mature. Is there a general case though that this PR solves? E.G chainreader cannot handle objects that are not XX or YY?
@hmacdope Yes, Oliver mentioned this issue: https://github.com/MDAnalysis/mdanalysis/issues/2884. I can come up with a better solution which in general allows object-based trajectory formats being passed in to not be caught by the ChainReader _format_hint
Maybe it's as simple as iterating through all _format_hint() methods except for chainreader before checking chainreader
@ljwoods2 instead of "WIP" in the title you can also "convert to draft" to make the state extra clear (and really properly tagged in GH instead using a convention). It also has the advantage that you then only need a click (instead of a title change) when you're ready.
Closing this because zarrtraj accepts filename strings instead of zarr.Group objects now, so no change to format_hint is needed
Changes made in this Pull Request:
This is just one way I am proposing to allow future compatibility with the zarrtraj format (https://github.com/Becksteinlab/zarrtraj) that I'm developing in Oliver's lab (and potentially GSOC). Since the zarrtraj format is still in the prototyping phase, there is no urgency to merge this or an alternate solution and I'm open to different ways of approaching it.
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📚 Documentation preview 📚: https://mdanalysis--4557.org.readthedocs.build/en/4557/