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Handle edge case of computing chi angles for PYL #356 #357

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merged 6 commits into from
Nov 6, 2023
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@a-r-j a-r-j commented Nov 6, 2023

Reference Issues/PRs

#356

What does this implement/fix? Explain your changes

Handles KeyError exceptions in looking up chi angle groups for non-standard residues. Logs a warning and sets these angles to 0.

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

Added a test to tests/protein/tensor/test_angles/

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 .

@a-r-j a-r-j merged commit f979aa0 into master Nov 6, 2023
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sonarcloud bot commented Nov 6, 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

@a-r-j a-r-j deleted the pyl_sc_fix branch July 15, 2024 07:14
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