search

a-r-j / graphein

Protein Graph Library
https://graphein.ai/
MIT License
1.03k stars 131 forks source link

Vector bugfix #148 #149

Closed a-r-j closed 2 years ago

a-r-j commented 2 years ago

Reference Issues/PRs

148

What does this implement/fix? Explain your changes

Changes C-beta vector computation to use pre-computed rgroup df for subsetting. Prevents errors where multiple vectors would be computed for residues with altlocs.

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

Add example-based tests for problematic PDBs

sonarcloud[bot] commented 2 years 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