Bug fix of get angle #6820
Bug fix of get angle #6820
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Codecov Report❌ Patch coverage is
Additional details and impacted files@@ Coverage Diff @@
## main #6820 +/- ##
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- Coverage 79.05% 79.02% -0.02%
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Files 566 566
Lines 43649 43660 +11
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- Hits 34501 34499 -2
- Misses 9148 9161 +13 ☔ View full report in Codecov by Sentry. 🚀 New features to boost your workflow:
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@Muhammad-Rebaal Thanks! I am currently on holiday so will do a more detailed review later, but this will need tests, both for the happy path and for the error conditions.
| else: | ||
| dot_product = numpy.vdot(cell[i], cell[j]) | ||
| cos_angle = dot_product / (lengths[i] * lengths[j]) | ||
| # Handle numerical issues where |cos_angle| might slightly exceed 1 |
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Would be good to have a test case for this. Have you encountered this yourself?
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No didn't encountered that , but no worries. I'll write one .
GeigerJ2
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If I have time during the coding days, my plan here is to revert unnecessary changes in this PR (e.g. focus only on the new error handling) and write tests. |
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Hi @danielhollas !
I've implemented the fix for the issue #6375 with
StructureData.cell_anglesas you requested. The solution now:The implementation does exactly what we discussed in the issue conversation. If there's anything else that should be changed or improved, please let me know.
Thank You!