search

nlesc-nano / CAT

A collection of tools designed for the automatic construction, and subsequent analysis, of chemical compounds.
Other
16 stars 2 forks source link

BUG: Ensure that the ligand is properly aligned after PLAMS optimizations #235

Closed BvB93 closed 2 years ago

codecov[bot] commented 2 years ago

Codecov Report

Merging #235 (a133851) into master (33a02bd) will decrease coverage by 0.01%. The diff coverage is 0.00%.

Impacted file tree graph

@@            Coverage Diff             @@
##           master     #235      +/-   ##
==========================================
- Coverage   67.96%   67.94%   -0.02%     
==========================================
  Files          50       50              
  Lines        4086     4087       +1     
  Branches      764      764              
==========================================
  Hits         2777     2777              
- Misses       1148     1149       +1     
  Partials      161      161
Impacted Files Coverage Δ
CAT/attachment/ligand_opt.py 81.16% <0.00%> (-0.27%) :arrow_down:

Continue to review full report at Codecov.

Legend - Click here to learn more Δ = absolute <relative> (impact), ø = not affected, ? = missing data Powered by Codecov. Last update 33a02bd...a133851. Read the comment docs.