Skip to content

Add number of hydrogen bonds widget - #61

Merged
PardhavMaradani merged 1 commit into
MDAnalysis:mainfrom
PardhavMaradani:add-hydrogen-bonds-widget
Aug 9, 2026
Merged

Add number of hydrogen bonds widget#61
PardhavMaradani merged 1 commit into
MDAnalysis:mainfrom
PardhavMaradani:add-hydrogen-bonds-widget

Conversation

@PardhavMaradani

@PardhavMaradani PardhavMaradani commented Aug 9, 2026

Copy link
Copy Markdown
Member

Changes made in this Pull Request:

  • Added number of hydrogen bonds widget

PR Checklist

  • Tests?
  • Docs?
  • CHANGELOG updated?
  • Issue raised/referenced?

Hi @orbeckst, @jeremyleung521, @amruthesht, @HeydenLabASU,

This PR adds a widget to display the number of hydrogen bonds using MDAnalysis.analysis.hydrogenbonds.hbond_analysis.HydrogenBondAnalysis. It follows the MDAnalysis Calculating hydrogen bonds example.

It supports batching and parallelization as well. Here is an example:

hydrogen-bonds

Thanks

@codecov

codecov Bot commented Aug 9, 2026

Copy link
Copy Markdown

Codecov Report

✅ All modified and coverable lines are covered by tests.
✅ Project coverage is 100.00%. Comparing base (c9af408) to head (fd1ade7).

Additional details and impacted files
Components Coverage Δ
frontend 100.00% <ø> (ø)
backend 100.00% <100.00%> (ø)
🚀 New features to boost your workflow:
  • ❄️ Test Analytics: Detect flaky tests, report on failures, and find test suite problems.
  • 📦 JS Bundle Analysis: Save yourself from yourself by tracking and limiting bundle sizes in JS merges.

@read-the-docs-community

Copy link
Copy Markdown

@PardhavMaradani
PardhavMaradani marked this pull request as ready for review August 9, 2026 12:37
@PardhavMaradani
PardhavMaradani merged commit 52f6e7b into MDAnalysis:main Aug 9, 2026
20 checks passed
@PardhavMaradani
PardhavMaradani deleted the add-hydrogen-bonds-widget branch August 9, 2026 12:37
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.

1 participant