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refactor: clean up unit test.
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tests/test_mixed_reaction_filter.py

Lines changed: 3 additions & 5 deletions
Original file line numberDiff line numberDiff line change
@@ -202,16 +202,14 @@ def test_invalid_smiles(filter: MixedReactionFilter) -> None:
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def test_invalid_smiles_from_unexpected_error(filter: MixedReactionFilter) -> None:
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# This does NOT raise InvalidReactionSmiles,
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# but on tokenization TokenizationError / SmilesJoinedTokensMismatch
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bad_reaction = ReactionEquation.from_string(
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reaction_with_invalid_smiles = ReactionEquation.from_string(
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"CCC.C[Ni]1<-Cl[Ni](C)<-Cl1>>C[Ni]1Cl[Ni](C)Cl1"
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)
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assert not filter.is_valid(bad_reaction)
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assert not filter.is_valid(reaction_with_invalid_smiles)
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211-
valid, reasons = filter.validate_reasons(bad_reaction)
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valid, reasons = filter.validate_reasons(reaction_with_invalid_smiles)
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assert not valid
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# breakpoint()
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print(reasons)
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assert reasons[0].startswith(filter.unexpected_error_prefix)
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