tests: add test for DumpReader ValueError when convention not in timestep - #5306
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…step Closes MDAnalysis#5127. The elif branch in DumpReader._read_next_timestep that raises ValueError when a specific coordinate convention is requested but not present in the file had no test coverage. Add test_missing_convention_in_timestep which uses LAMMPSDUMP (scaled coords only) with lammps_coordinate_convention="unscaled" to trigger the error.
Codecov Report✅ All modified and coverable lines are covered by tests. Additional details and impacted files@@ Coverage Diff @@
## develop #5306 +/- ##
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- Coverage 93.82% 93.81% -0.02%
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Files 182 182
Lines 22487 22487
Branches 3196 3196
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- Hits 21099 21096 -3
- Misses 925 927 +2
- Partials 463 464 +1 ☔ View full report in Codecov by Sentry. 🚀 New features to boost your workflow:
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What this does
Closes #5127.
DumpReader._read_next_timestephas two paths that raiseValueErrorwhen coordinate columns are missing:autoconvention with no coordinate columns at all — tested bytest_no_coordinate_info."unscaled") but the timestep does not contain matching columns — untested.This PR adds
test_missing_convention_in_timestepto cover the second path. It usesLAMMPSDUMP(wat.lammpstrj.bz2), which contains only scaled coordinates (xs ys zs), and requestslammps_coordinate_convention="unscaled". The reader cannot findx y zcolumns and raises:Test plan
test_missing_convention_in_timesteppassestest_lammps.pysuite passes (157 passed, 0 failures)Related issue
Fixes #5127
📚 Documentation preview 📚: https://mdanalysis--5306.org.readthedocs.build/en/5306/