Fix coordinator worker integration

This commit is contained in:
Emil
2026-07-23 21:33:37 +03:00
parent b4a89dd7c2
commit 983c5843ec
25 changed files with 748 additions and 158 deletions
+11 -1
View File
@@ -6,7 +6,11 @@ from rdkit import Chem, DataStructs
from scimesh.chemistry.dataset import DatasetStats, find_molecule_by_id, iter_valid_molecules
from scimesh.chemistry.fingerprints import fingerprint
from scimesh.workloads.similarity_search import SimilarityMatch, search_similar
from scimesh.workloads.similarity_search import (
SimilarityMatch,
search_similar,
write_search_results,
)
def test_search_matches_full_sorting_and_skips_query_and_invalid(
@@ -56,3 +60,9 @@ def test_search_can_rank_and_filter_least_similar_molecules(
assert result.matches == sorted(
result.matches, key=lambda match: match.sort_key("less")
)
def test_search_writer_creates_missing_output_directory(tmp_path: Path) -> None:
output = tmp_path / "nested" / "results.csv"
write_search_results(output, [])
assert output.read_text(encoding="utf-8").startswith("rank,chembl_id")