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Add more similarity measurements, fixes #124

Open FanwangM opened this issue 2 years ago • 1 comments

This PR addresses https://github.com/theochem/Selector/issues/124. The SimilarityIndex class was moved to similarity module to make things consistent, which is mainly for calculating similarity matrix. The smilarity.py in method module was renamed to sim.py because we have two similarity.py files, which can be very confusing. Actually I would perfer to use nsim.py, but to keep things consistent with other files name, I chose sim.py.

FanwangM avatar Dec 01 '23 03:12 FanwangM

Codecov Report

Attention: Patch coverage is 97.62846% with 6 lines in your changes missing coverage. Please review.

Project coverage is 96.96%. Comparing base (0de2c9b) to head (d5cc58d). Report is 37 commits behind head on main.

Additional details and impacted files

Impacted file tree graph

@@            Coverage Diff             @@
##             main     #188      +/-   ##
==========================================
- Coverage   97.57%   96.96%   -0.61%     
==========================================
  Files           9        9              
  Lines         907      924      +17     
==========================================
+ Hits          885      896      +11     
- Misses         22       28       +6     
Files Coverage Δ
selector/methods/__init__.py 100.00% <100.00%> (ø)
selector/methods/sim.py 96.05% <96.05%> (ø)
selector/similarity.py 98.61% <98.29%> (-1.39%) :arrow_down:

... and 1 file with indirect coverage changes

codecov[bot] avatar Dec 01 '23 03:12 codecov[bot]

I am going to close this PR as this has been addressed by

  • https://github.com/theochem/Selector/pull/189
  • https://github.com/theochem/Selector/pull/219

FanwangM avatar Jun 25 '24 21:06 FanwangM