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Fix add_sequence_neighbour_vector
#336
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Thanks @anton-bushuiev, LGTM! Can you please add a short note to the changelog? |
Hi, @a-r-j ! I have updated the changelog but I am not sure how it is currently with versioning. |
Kudos, SonarCloud Quality Gate passed! |
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Reference Issues/PRs
Hi, @a-r-j 👋! Currently,
add_sequence_neighbour_vector
has two bugs:vec
from the previous iteration (pair of adjacent residues) is being used. So, the errors propagate silently. I fixed it to put zeros when conditions fail.I have also removed a redundant check for chain identity when iterating through the nodes of the same chain, and added a test.
What does this implement/fix? Explain your changes
What testing did you do to verify the changes in this PR?
Pull Request Checklist
./CHANGELOG.md
file (if applicable)./graphein/tests/*
directories (if applicable)./notebooks/
(if applicable)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
)black .
andisort .