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chai_lab/data/dataset/structure
1 file changed +12
-8
lines changed Original file line number Diff line number Diff 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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