Resolve bug in bar_model.delta_f_ creation #397
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Codecov ReportAll modified and coverable lines are covered by tests ✅
Additional details and impacted files@@ Coverage Diff @@
## master #397 +/- ##
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- Coverage 98.78% 98.78% -0.01%
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Files 28 28
Lines 1981 1980 -1
Branches 435 435
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- Hits 1957 1956 -1
Misses 2 2
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orbeckst
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Sep 17, 2024
jaclark5
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Sep 19, 2024
* fix bug introduced in PR alchemistry#381: there was a change to creating the delta_f_ matrix, which resulted in the columns and indices being tuples that were in the wrong order for single lambda computations. * ensure that columns are in the correct order by explicitly sorting * add a test for the delta_f_ columns
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In the recent PR #381, there was a change to creating the delta_f_ matrix creation which resulted in the columns and indices being tuples that were in the wrong order for single lambda computations.
This PR resolves that issue, ensures that columns are in the correct order, and adds a test for the delta_f_ columns in the future.