a-r-j / graphein

Protein Graph Library
https://graphein.ai/
MIT License
1.01k stars 126 forks source link

fix peptide bonds for all atom graphs #254

Closed a-r-j closed 1 year ago

a-r-j commented 1 year ago

Reference Issues/PRs

253

What does this implement/fix? Explain your changes

Ensures peptide bond addition behaves correctly on all-atom graphs.

What testing did you do to verify the changes in this PR?

Adds a filtering step in the edge addition to only consider N and C atom nodes in the case of an all-atom graph.

Pull Request Checklist

sonarcloud[bot] commented 1 year ago

Kudos, SonarCloud Quality Gate passed!    Quality Gate passed

Bug A 0 Bugs
Vulnerability A 0 Vulnerabilities
Security Hotspot A 0 Security Hotspots
Code Smell A 0 Code Smells

No Coverage information No Coverage information
0.0% 0.0% Duplication