search

nlesc-nano / auto-FOX

A library for analyzing potential energy surfaces (PESs) and using the resulting PES descriptors for constructing forcefield parameters.
GNU Lesser General Public License v3.0
9 stars 8 forks source link

ENH: Update the type annotations #161

Closed BvB93 closed 3 years ago

codecov[bot] commented 3 years ago

Codecov Report

Merging #161 (8d73f7d) into master (9dcb8e2) will increase coverage by 0.27%. The diff coverage is 76.06%.

Impacted file tree graph

@@            Coverage Diff             @@
##           master     #161      +/-   ##
==========================================
+ Coverage   70.16%   70.43%   +0.27%     
==========================================
  Files          58       58              
  Lines        5711     5747      +36     
  Branches      950      946       -4     
==========================================
+ Hits         4007     4048      +41     
+ Misses       1480     1470      -10     
- Partials      224      229       +5
Impacted Files Coverage Δ
FOX/armc/plotting.py 0.00% <0.00%> (ø)
FOX/armc/schemas.py 100.00% <ø> (ø)
FOX/entry_points.py 0.00% <0.00%> (ø)
FOX/ff/lj_dataframe.py 30.25% <0.00%> (ø)
FOX/ff/lj_uff.py 42.85% <0.00%> (+3.72%) :arrow_up:
FOX/functions/randomize_param.py 0.00% <ø> (ø)
FOX/ff/lj_intra_calculate.py 21.25% <14.28%> (+0.99%) :arrow_up:
FOX/ff/lj_calculate.py 18.48% <25.00%> (ø)
FOX/recipes/psf.py 81.98% <41.66%> (-1.28%) :arrow_down:
FOX/recipes/ligands.py 55.55% <50.00%> (ø)
... and 21 more

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 9dcb8e2...8d73f7d. Read the comment docs.