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Add support for space group information when reading and writing pdb files #707
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Hi, thanks for implementing this functionality! Could you add a test as well to tests/structure/io/test_pdb.py
? I think something analogous to test_conversion()
would work well here: Setting and subsequent retrieving of the space group should return the original space group.
CodSpeed Performance ReportMerging #707 will not alter performanceComparing Summary
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Co-authored-by: Patrick Kunzmann <[email protected]>
Co-authored-by: Patrick Kunzmann <[email protected]>
Co-authored-by: Patrick Kunzmann <[email protected]>
Thanks for the update! I will give the PR a final review on the weekend. |
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Thanks for adding the test. I have some minor requests for it, but otherwise, everything looks good!
Code conciseness updates Co-authored-by: Patrick Kunzmann <[email protected]>
Thanks for the feedback, @padix-key! I've made the changes to the test - let me know if anything is missing. |
Added
get_space_group()
andset_space_group()
methods as discussed in #689 to support space group and Z value reading/writing for (deprecated) PDB files.