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BUG: Fix an issue with parsing multiple ligands in generate_psf2 #282

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merged 2 commits into from
Sep 29, 2022
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@BvB93 BvB93 commented Sep 29, 2022

@BvB93 BvB93 added the bug Something isn't working label Sep 29, 2022
@BvB93 BvB93 added this to the 0.10.3 milestone Sep 29, 2022
@BvB93 BvB93 self-assigned this Sep 29, 2022
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codecov bot commented Sep 29, 2022

Codecov Report

Merging #282 (3a8117d) into master (a952a71) will decrease coverage by 3.25%.
The diff coverage is 33.33%.

@@            Coverage Diff             @@
##           master     #282      +/-   ##
==========================================
- Coverage   74.90%   71.64%   -3.26%     
==========================================
  Files          65       65              
  Lines        7096     7093       -3     
  Branches     1367     1368       +1     
==========================================
- Hits         5315     5082     -233     
- Misses       1440     1687     +247     
+ Partials      341      324      -17     
Impacted Files Coverage Δ
FOX/recipes/psf.py 37.50% <0.00%> (-44.47%) ⬇️
FOX/functions/molecule_utils.py 92.51% <50.00%> (-2.59%) ⬇️
FOX/recipes/similarity.py 32.55% <0.00%> (-67.45%) ⬇️
FOX/recipes/param.py 57.73% <0.00%> (-17.53%) ⬇️
FOX/logger.py 73.52% <0.00%> (-10.30%) ⬇️
FOX/armc/package_manager.py 63.51% <0.00%> (-9.02%) ⬇️
FOX/armc/armc_pt.py 78.51% <0.00%> (-6.62%) ⬇️
FOX/armc/monte_carlo.py 75.00% <0.00%> (-4.10%) ⬇️
FOX/properties/base.py 84.00% <0.00%> (-3.00%) ⬇️
... and 5 more

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@BvB93 BvB93 merged commit 1103fab into master Sep 29, 2022
@BvB93 BvB93 deleted the psf branch September 29, 2022 14:49
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