fix: change logic of iterPars method with same type atoms to have same ADPs#178
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stevenhua0320 wants to merge 1 commit intodiffpy:mainfrom
Open
fix: change logic of iterPars method with same type atoms to have same ADPs#178stevenhua0320 wants to merge 1 commit intodiffpy:mainfrom
stevenhua0320 wants to merge 1 commit intodiffpy:mainfrom
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Codecov Report✅ All modified and coverable lines are covered by tests. Additional details and impacted files@@ Coverage Diff @@
## main #178 +/- ##
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+ Coverage 71.63% 71.91% +0.28%
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Files 25 25
Lines 3437 3472 +35
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+ Hits 2462 2497 +35
Misses 975 975
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@sbillinge ready to review. Originally, we checked at the tree level
par.names, but all the ADP are stored in its parent level, so with the current logic we could only manually change it from its parent to children. With this modification, we could recursively start on the parent level and iteratively set the ADPs to the equal-type atoms. I have local env installed with latestdiffpy.srrealand go through all the tests. I confirmed that with the change that I have here, it will be functioning properly.