from __future__ import annotations from pathlib import Path import pytest @pytest.fixture def small_dataset(tmp_path: Path) -> Path: path = tmp_path / "molecules.tsv" path.write_text( "chembl_id\tcanonical_smiles\n" "QUERY\tCCO\n" "ALCOHOL\tCCCO\n" "AMINE\tCCN\n" "BENZENE\tc1ccccc1\n" "BROKEN\tnot-a-smiles\n" "DUPLICATE\tCCO\n", encoding="utf-8", ) return path