cwognum commented 2 years ago

Checklist:

[x] Add tests to cover the fixed bug(s) or the new introduced feature(s) (if appropriate).
[x] Update the API documentation is a new function is added or an existing one is deleted.
[x] Added a news entry.
- copy news/TEMPLATE.rst to news/my-feature-or-branch.rst) and edit it.

Fixes #108

hadim commented 2 years ago

I'll merge once green and release a new version. Thanks!

codecov[bot] commented 2 years ago

Codecov Report

Merging #109 (f6ab4a5) into main (1469aca) will not change coverage. The diff coverage is 100.00%.

@@           Coverage Diff           @@
##             main     #109   +/-   ##
=======================================
  Coverage   83.84%   83.84%           
=======================================
  Files          48       48           
  Lines        3472     3472           
=======================================
  Hits         2911     2911           
  Misses        561      561

Flag	Coverage Δ
unittests	`83.84% <100.00%> (ø)`

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

Impacted Files	Coverage Δ
datamol/conformers/_conformers.py	`92.71% <100.00%> (ø)`

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 1469aca...f6ab4a5. Read the comment docs.

datamol-io / datamol

Prevent errors due to sorting by `Conformer` when there are equal energies #109

Codecov Report