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Prettier code formatting
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chai_lab/data/dataset/structure/all_atom_structure_context.py

+12-8
Original file line numberDiff line numberDiff line change
@@ -171,10 +171,12 @@ def drop_leaving_atoms(self) -> None:
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bonds_b = [
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candidate
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for candidate in bond_candidates_b.tolist()
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if self._infer_bonds_within_conformer(
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candidate, exclude_polymers=True
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).sum()
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== 1
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if (
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self._infer_bonds_within_conformer(
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candidate, exclude_polymers=True
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).sum()
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== 1
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)
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]
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# If there are multiple such bonds, we can't infer which to drop
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if len(bonds_b) == 1:
@@ -195,10 +197,12 @@ def drop_leaving_atoms(self) -> None:
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bonds_a = [
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candidate
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for candidate in bond_candidates_a.tolist()
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if self._infer_bonds_within_conformer(
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candidate, exclude_polymers=True
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).sum()
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== 1
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if (
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self._infer_bonds_within_conformer(
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candidate, exclude_polymers=True
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).sum()
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== 1
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)
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]
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# If there are multiple such bonds, we can't infer which to drop
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if len(bonds_a) == 1:

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