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fix peptide bonds for all atom graphs #254

Merged
merged 3 commits into from Jan 26, 2023
Merged

fix peptide bonds for all atom graphs #254

merged 3 commits into from Jan 26, 2023

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a-r-j
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@a-r-j a-r-j commented Jan 26, 2023

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

  • Added a note about the modification or contribution to the ./CHANGELOG.md file (if applicable)
  • Added appropriate unit test functions in the ./graphein/tests/* directories (if applicable)
  • Modify documentation in the corresponding Jupyter Notebook under ./notebooks/ (if applicable)
  • Ran python -m py.test tests/ and make sure that all unit tests pass (for small modifications, it might be sufficient to only run the specific test file, e.g., python -m py.test tests/protein/test_graphs.py)
  • Checked for style issues by running black . and isort .

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sonarcloud bot commented Jan 26, 2023

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

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lgtm

@a-r-j a-r-j merged commit 4634887 into master Jan 26, 2023
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