theochem / Selector

Methods for selecting diverse (molecular) database.
https://selector.qcdevs.org
GNU General Public License v3.0
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Add 2D symmetric array checking for `converter` module #178

Closed FanwangM closed 8 months ago

FanwangM commented 8 months ago

Also fixed the failing tests because of non-symmetric matrix used. This PR is the final attempt to address #123.

codecov[bot] commented 8 months ago

Codecov Report

Merging #178 (6acba2e) into main (9c74867) will increase coverage by 0.08%. The diff coverage is 100.00%.

Impacted file tree graph

@@            Coverage Diff             @@
##             main     #178      +/-   ##
==========================================
+ Coverage   85.49%   85.57%   +0.08%     
==========================================
  Files          13       13              
  Lines        1020     1026       +6     
==========================================
+ Hits          872      878       +6     
  Misses        148      148              
Files Coverage Δ
DiverseSelector/converter.py 98.87% <100.00%> (+0.03%) :arrow_up:
DiverseSelector/tests/test_converter.py 100.00% <100.00%> (ø)