Add dtype kwarg to check_box to preserve input precision - #5471
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check_box always cast to float32 internally, which forced any triclinic box to also come out as float32 since it just called triclinic_vectors on the already-cast array. triclinic_vectors already accepted a dtype kwarg, so this just plumbs the same option through check_box, keeping float32 as the default so no existing caller changes behavior. Fixes MDAnalysis#3500
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Codecov Report✅ All modified and coverable lines are covered by tests. Additional details and impacted files@@ Coverage Diff @@
## develop #5471 +/- ##
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- Coverage 93.87% 93.86% -0.02%
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Files 182 182
Lines 22522 22522
Branches 3206 3206
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- Hits 21143 21140 -3
- Misses 917 919 +2
- Partials 462 463 +1 ☔ View full report in Codecov by Harness. 🚀 New features to boost your workflow:
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BradyAJohnston
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Sep 16, 2026
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Fixes #3500
Changes made in this Pull Request:
check_box()accepts a newdtypekeyword (defaultnumpy.float32, so existing behavior/callers are unchanged) and passes it through totriclinic_vectors(), which already supported it.LLM / AI generated code disclosure
LLMs or other AI-powered tools (beyond simple IDE use cases) were used in this contribution: yes
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.