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[pre-commit.ci] auto fixes from pre-commit.com hooks
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pre-commit-ci[bot] committed Apr 21, 2024
1 parent 8f0a730 commit 257d917
Showing 1 changed file with 2 additions and 2 deletions.
4 changes: 2 additions & 2 deletions graphein/protein/tensor/io.py
Original file line number Diff line number Diff line change
Expand Up @@ -163,7 +163,7 @@ def protein_to_pyg(
:param store_bfactor: Whether or not to store bfactors in the ``Data``
object. Default is ``False.
:type store_bfactor: bool
:param fill_value_coords: Fill value to use for positions in atom37
:param fill_value_coords: Fill value to use for positions in atom37
representation that are not filled. Defaults to 1e-5
:type fill_value_coords: float
:returns: ``Data`` object with attributes: ``x`` (AtomTensor), ``residues``
Expand Down Expand Up @@ -261,7 +261,7 @@ def protein_to_pyg(
)
if store_het:
out.hetatms = [het_coords]

if store_bfactor:
# group by residue_id and average b_factor per residue
residue_bfactors = df.groupby("residue_id")["b_factor"].mean()
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