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Fix the building reference index when ref_index is None in DISE#264

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FanwangM merged 3 commits intotheochem:mainfrom
FanwangM:fix_ref_DISE2
Sep 9, 2024
Merged

Fix the building reference index when ref_index is None in DISE#264
FanwangM merged 3 commits intotheochem:mainfrom
FanwangM:fix_ref_DISE2

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@FanwangM FanwangM commented Sep 9, 2024

  • Convert np.int64 to int
  • Clean up the redundant checking
  • Add a new test

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codecov bot commented Sep 9, 2024

Codecov Report

All modified and coverable lines are covered by tests ✅

Project coverage is 95.20%. Comparing base (198e004) to head (01b0527).
Report is 1 commits behind head on main.

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@@            Coverage Diff             @@
##             main     #264      +/-   ##
==========================================
+ Coverage   95.01%   95.20%   +0.18%     
==========================================
  Files           9        9              
  Lines        1024     1022       -2     
==========================================
  Hits          973      973              
+ Misses         51       49       -2     
Files with missing lines Coverage Δ
selector/methods/distance.py 96.29% <100.00%> (+1.17%) ⬆️

@FanwangM FanwangM merged commit 19c8cf7 into theochem:main Sep 9, 2024
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