AlignTraj Writer kwargs fix
Fixes #4564
Changes made in this Pull Request:
- Updated AlignTraj's writer constructor to take kwargs
- Wrote test in test_align.py using xtc writer with "precision" kwarg
PR Checklist
- [x] Tests?
- [x] Docs?
- [x] CHANGELOG updated?
- [x] Issue raised/referenced?
Developers certificate of origin
- [x] I certify that this contribution is covered by the LGPLv2.1+ license as defined in our LICENSE and adheres to the Developer Certificate of Origin.
📚 Documentation preview 📚: https://mdanalysis--4565.org.readthedocs.build/en/4565/
Hello @ljwoods2! Thanks for updating this PR. We checked the lines you've touched for PEP 8 issues, and found:
- In the file
package/MDAnalysis/analysis/align.py:
Line 1672:20: W292 no newline at end of file
Comment last updated at 2024-05-26 22:47:41 UTC
Linter Bot Results:
Hi @ljwoods2! Thanks for making this PR. We linted your code and found the following:
Some issues were found with the formatting of your code.
| Code Location | Outcome |
|---|---|
| main package | ⚠️ Possible failure |
| testsuite | ⚠️ Possible failure |
Please have a look at the darker-main-code and darker-test-code steps here for more details: https://github.com/MDAnalysis/mdanalysis/actions/runs/9246734685/job/25434607268
Please note: The black linter is purely informational, you can safely ignore these outcomes if there are no flake8 failures!
Codecov Report
All modified and coverable lines are covered by tests :white_check_mark:
Project coverage is 93.41%. Comparing base (
2c6e21f) to head (52aaedb). Report is 18 commits behind head on develop.
Additional details and impacted files
@@ Coverage Diff @@
## develop #4565 +/- ##
===========================================
- Coverage 93.64% 93.41% -0.24%
===========================================
Files 168 180 +12
Lines 21254 22167 +913
Branches 3918 3919 +1
===========================================
+ Hits 19904 20707 +803
- Misses 892 1000 +108
- Partials 458 460 +2
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My apologies, I forgot to turn off my autoformatter