Skip to content
New issue

Have a question about this project? Sign up for a free GitHub account to open an issue and contact its maintainers and the community.

By clicking “Sign up for GitHub”, you agree to our terms of service and privacy statement. We’ll occasionally send you account related emails.

Already on GitHub? Sign in to your account

MAINT: Skip the pKa computation instead of raising for non-negative systems #121

Merged
merged 1 commit into from
Mar 11, 2022

Conversation

BvB93
Copy link
Member

@BvB93 BvB93 commented Mar 11, 2022

No description provided.

@BvB93 BvB93 added the Maintenance Improvements to pre-existing features label Mar 11, 2022
@BvB93 BvB93 self-assigned this Mar 11, 2022
@codecov
Copy link

codecov bot commented Mar 11, 2022

Codecov Report

Merging #121 (a0621e8) into master (dbf0811) will decrease coverage by 0.03%.
The diff coverage is 33.33%.

Impacted file tree graph

@@            Coverage Diff             @@
##           master     #121      +/-   ##
==========================================
- Coverage   53.80%   53.77%   -0.04%     
==========================================
  Files          36       36              
  Lines        2888     2890       +2     
==========================================
  Hits         1554     1554              
- Misses       1334     1336       +2     
Impacted Files Coverage Δ
nanoCAT/ligand_solvation.py 17.80% <33.33%> (+0.24%) ⬆️
nanoCAT/cone_angle.py 94.11% <0.00%> (-0.09%) ⬇️

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 dbf0811...a0621e8. Read the comment docs.

@BvB93 BvB93 merged commit 69c0149 into master Mar 11, 2022
@BvB93 BvB93 deleted the solv branch March 11, 2022 15:31
Sign up for free to join this conversation on GitHub. Already have an account? Sign in to comment
Labels
Maintenance Improvements to pre-existing features
Projects
None yet
Development

Successfully merging this pull request may close these issues.

1 participant