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

NativeEOS: ensure equilibrate does not change solvent mass #118

Merged
merged 3 commits into from
Mar 13, 2024
Merged

Conversation

rkingsbury
Copy link
Member

This PR fixes an issue in which repeated calls to equilibrate when using NativeEOS or PHREEQCEOS would
change the mass of the Solution slightly. This was attributed to the fact that pyEQL and PHREEQC use slightly
different molecular weights for water.

@rkingsbury rkingsbury added fix Bug Fixes release:minor will issue a minor release labels Mar 13, 2024
Copy link

codecov bot commented Mar 13, 2024

Codecov Report

Attention: Patch coverage is 81.81818% with 2 lines in your changes are missing coverage. Please review.

Project coverage is 82.19%. Comparing base (934db1f) to head (f275c06).
Report is 1 commits behind head on main.

Files Patch % Lines
src/pyEQL/engines.py 81.81% 1 Missing and 1 partial ⚠️
Additional details and impacted files
@@            Coverage Diff             @@
##             main     #118      +/-   ##
==========================================
- Coverage   82.28%   82.19%   -0.09%     
==========================================
  Files          10       10              
  Lines        1456     1460       +4     
  Branches      293      294       +1     
==========================================
+ Hits         1198     1200       +2     
- Misses        220      221       +1     
- Partials       38       39       +1     

☔ View full report in Codecov by Sentry.
📢 Have feedback on the report? Share it here.

@rkingsbury rkingsbury merged commit 8a807ec into main Mar 13, 2024
11 of 13 checks passed
Sign up for free to join this conversation on GitHub. Already have an account? Sign in to comment
Labels
fix Bug Fixes release:minor will issue a minor release
Projects
None yet
Development

Successfully merging this pull request may close these issues.

1 participant