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Add ".extxyz" file suffix #84
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great I wanted to ask this feature.
is it possible to add a test for this?
even just change the name of one of the dataset we use to .extxyz
I you think is not necessary for me it also fine |
Yes I can do a symbolic link and test this. |
I think that should be enough for testing this. |
Not a comment for this PR, but long term it might make sense to invert the control flow here. Instead of guessing the reader from the file extension, do something like structures:
read_from: file.xyz
reader: ase or structures:
read_from: ase://file.xyz this way we don't try to use ASE on CP2K xyz files, which are not quite compatible |
Hmm yes, even though I like the second API I think we should go for the first one. Also this comes with less string manioulation if the user leaves the |
I like the first API more, I think it is easier to read. |
Okay I do an issue for this. Then we can keep track. |
As requested by @frostedoyster.
.extxyz
and.xyz
are usually the same and can use the same readers for them.📚 Documentation preview 📚: https://metatensor-models--84.org.readthedocs.build/en/84/