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

Updates to remove hydrogens #44

Merged
merged 11 commits into from
Sep 14, 2023
Merged

Updates to remove hydrogens #44

merged 11 commits into from
Sep 14, 2023

Conversation

chrisjonesBSU
Copy link
Member

This PR updates how we remove hydrogen using the new API in GMSO to remove sites.

@review-notebook-app
Copy link

Check out this pull request on  ReviewNB

See visual diffs & provide feedback on Jupyter Notebooks.


Powered by ReviewNB

@chrisjonesBSU chrisjonesBSU changed the title Updates to new GMSO API Updates to remove hydrogens Sep 13, 2023
@codecov
Copy link

codecov bot commented Sep 13, 2023

Codecov Report

Merging #44 (a70f095) into main (d91f1a9) will increase coverage by 0.18%.
Report is 2 commits behind head on main.
The diff coverage is 100.00%.

Additional details and impacted files

Impacted file tree graph

@@            Coverage Diff             @@
##             main      #44      +/-   ##
==========================================
+ Coverage   92.24%   92.42%   +0.18%     
==========================================
  Files          18       18              
  Lines        1328     1321       -7     
==========================================
- Hits         1225     1221       -4     
+ Misses        103      100       -3     
Files Changed Coverage Δ
hoomd_organics/base/system.py 89.79% <100.00%> (+1.13%) ⬆️
hoomd_organics/modules/welding.py 94.25% <100.00%> (-0.32%) ⬇️

Copy link
Collaborator

@marjanalbooyeh marjanalbooyeh left a comment

Choose a reason for hiding this comment

The reason will be displayed to describe this comment to others. Learn more.

LGTM! Thank you

@marjanalbooyeh marjanalbooyeh merged commit 4a626f9 into cmelab:main Sep 14, 2023
3 checks passed
@chrisjonesBSU chrisjonesBSU deleted the remove-hydrogens branch September 14, 2023 21:40
Sign up for free to join this conversation on GitHub. Already have an account? Sign in to comment
Labels
None yet
Projects
None yet
Development

Successfully merging this pull request may close these issues.

2 participants