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lines changed Original file line number Diff line number Diff line change @@ -202,16 +202,14 @@ def test_invalid_smiles(filter: MixedReactionFilter) -> None:
202202def test_invalid_smiles_from_unexpected_error (filter : MixedReactionFilter ) -> None :
203203 # This does NOT raise InvalidReactionSmiles,
204204 # but on tokenization TokenizationError / SmilesJoinedTokensMismatch
205- bad_reaction = ReactionEquation .from_string (
205+ reaction_with_invalid_smiles = ReactionEquation .from_string (
206206 "CCC.C[Ni]1<-Cl[Ni](C)<-Cl1>>C[Ni]1Cl[Ni](C)Cl1"
207207 )
208208
209- assert not filter .is_valid (bad_reaction )
209+ assert not filter .is_valid (reaction_with_invalid_smiles )
210210
211- valid , reasons = filter .validate_reasons (bad_reaction )
211+ valid , reasons = filter .validate_reasons (reaction_with_invalid_smiles )
212212 assert not valid
213- # breakpoint()
214- print (reasons )
215213 assert reasons [0 ].startswith (filter .unexpected_error_prefix )
216214
217215
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