duartegroup / autodE

automated reaction profile generation
https://duartegroup.github.io/autodE/
MIT License
173 stars 52 forks source link

V1.4.1 #308

Closed t-young31 closed 1 year ago

codecov[bot] commented 1 year ago

Codecov Report

Merging #308 (dafe17f) into master (4d66675) will increase coverage by 0.04%. The diff coverage is 98.44%.

@@            Coverage Diff             @@
##           master     #308      +/-   ##
==========================================
+ Coverage   97.33%   97.37%   +0.04%     
==========================================
  Files         203      206       +3     
  Lines       22438    23048     +610     
==========================================
+ Hits        21839    22443     +604     
- Misses        599      605       +6     
Flag Coverage Δ
unittests 97.37% <98.44%> (+0.04%) :arrow_up:

Flags with carried forward coverage won't be shown. Click here to find out more.

Files Coverage Δ
autode/__init__.py 100.00% <100.00%> (ø)
autode/atoms.py 100.00% <ø> (ø)
autode/bond_rearrangement.py 96.28% <ø> (ø)
autode/bracket/base.py 96.00% <100.00%> (ø)
autode/bracket/dhs.py 98.40% <100.00%> (+<0.01%) :arrow_up:
autode/bracket/imagepair.py 98.81% <100.00%> (ø)
autode/calculations/executors.py 97.62% <ø> (ø)
autode/calculations/output.py 100.00% <ø> (ø)
autode/config.py 100.00% <ø> (ø)
autode/conformers/conf_gen.py 94.83% <100.00%> (ø)
... and 140 more