fix: fix Structure loading with close-duplicate atom#183
fix: fix Structure loading with close-duplicate atom#183stevenhua0320 wants to merge 1 commit intodiffpy:v3.4.0from
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Codecov Report✅ All modified and coverable lines are covered by tests. Additional details and impacted files@@ Coverage Diff @@
## v3.4.0 #183 +/- ##
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+ Coverage 99.17% 99.19% +0.01%
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Files 15 15
Lines 2439 2489 +50
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+ Hits 2419 2469 +50
Misses 20 20 🚀 New features to boost your workflow:
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sbillinge
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I think we need good tests for this. @stevenhua0320 we may want to work with Tieqiong to get a cif file that is not working currently so we can test that it works correctly after the fix.
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@stevenhua0320 I am moving this to the 3.5.0 release as I want this to be fixed carefully and with excellent tests. Actually, it is an important fix, so it would be good if you were interested in working with @cadenmyers13 to write good tests and then to put in a fix, but we don't need to hold up 3.4.0 for this. |
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@stevenhua0320 Im happy to help with writing a test for this. LMK when you want to |
@sbillinge ready to review. This is the potential solution proposed by @Tieqiong last summer diffpy/diffpy.pdfgui#291. We change the order of the source that we trust most as the priority. After this is merged and released, we could ask whether this fix would solve this by asking people to test it.