What does this implement/fix? Explain your changes
Improves the tensor-PDB writer to support residue-level B-factor annotations. The function will no automatically tile this to populate the atom-level rows in the PDB file.
What testing did you do to verify the changes in this PR?
Local testing.
Pull Request Checklist
[x] Added a note about the modification or contribution to the ./CHANGELOG.md file (if applicable)
[x] Added appropriate unit test functions in the ./graphein/tests/* directories (if applicable)
[x] Modify documentation in the corresponding Jupyter Notebook under ./notebooks/ (if applicable)
[x] 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 .
Reference Issues/PRs
What does this implement/fix? Explain your changes
Improves the tensor-PDB writer to support residue-level B-factor annotations. The function will no automatically tile this to populate the atom-level rows in the PDB file.
What testing did you do to verify the changes in this PR?
Local testing.
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 .