Test: Check for missing coordinates in LAMMPS DumpReader #5206
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Codecov Report✅ All modified and coverable lines are covered by tests. Additional details and impacted files@@ Coverage Diff @@
## develop #5206 +/- ##
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Coverage 92.72% 92.72%
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Files 180 180
Lines 22475 22475
Branches 3190 3190
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Hits 20841 20841
Misses 1177 1177
Partials 457 457 ☔ View full report in Codecov by Sentry. 🚀 New features to boost your workflow:
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This seems OK - can you please run Black formatting to get the linting test to pass? |
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Thanks! @BradyAJohnston I've downgraded Black to the required version (v24) and applied the formatting fixes. Everything should be clean now. |
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Fixes #5127
Changes made in this Pull Request:
test_missing_coords_errorintest_lammps.py.LAMMPS.DumpReadercorrectly raises aValueErrorwhen the input file lacks coordinate columns (x, y, z).tmpdirto generate a temporary dummy file for the test execution.LLM / AI generated code disclosure
LLMs or other AI-powered tools (beyond simple IDE use cases) were used in this contribution: no
PR Checklist
package/CHANGELOGfile updated?package/AUTHORS? (If it is not, add it!)Developers Certificate of Origin
I certify that I can submit this code contribution as described in the Developer Certificate of Origin, under the MDAnalysis LICENSE.
📚 Documentation preview 📚: https://mdanalysis--5206.org.readthedocs.build/en/5206/