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[FIX] work on all OS
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jcorreia11 committed Jun 28, 2024
1 parent bd5b04b commit e9b38b8
Showing 1 changed file with 3 additions and 3 deletions.
6 changes: 3 additions & 3 deletions src/biocatalyzer/bioreactor.py
Original file line number Diff line number Diff line change
Expand Up @@ -605,9 +605,9 @@ def _react_single(self, smiles: str, smarts: str):
with open(self._new_compounds_path, 'a', newline='', encoding='utf-8') as f:
f.write(f"{smiles_id}\t{smiles}\t{smarts_id}\t{smiles_id}_{uuid.uuid4()}\t"
f"{most_similar_product}\t{result}\t{ecs}\n")
if f"{smiles_id}\t{smiles}\t{smarts_id}\t{smiles_id}_{uuid.uuid4()}\t{most_similar_product}\t{result}\t{ecs}\n".split('\t') != 6:
e = f"{smiles_id}\t{smiles}\t{smarts_id}\t{smiles_id}_{uuid.uuid4()}\t{most_similar_product}\t{result}\t{ecs}\n"
raise ValueError(f"Wrong number of columns. Got {len(e.split('\t'))} columns. {e}")
line = f"{smiles_id}\t{smiles}\t{smarts_id}\t{smiles_id}_{uuid.uuid4()}\t{most_similar_product}\t{result}\t{ecs}\n".split('\t')
if len(line) != 7:
raise ValueError(f"Wrong number of columns. Got {line}")


def react(self):
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