"""Tests for scripts_ppi/fetch_sequences.py — UniProt sequence fetching.""" import json import sqlite3 import sys from pathlib import Path from unittest.mock import MagicMock, patch import pytest sys.path.insert(0, str(Path(__file__).resolve().parent.parent / "scripts_ppi")) sys.path.insert(0, str(Path(__file__).resolve().parent.parent / "src")) from fetch_sequences import fetch_uniprot_batch, update_protein_sequences @pytest.fixture def ppi_db(tmp_path): """Create a minimal PPI database with 3 proteins (no sequences).""" db_path = tmp_path / "test_ppi.db" conn = sqlite3.connect(str(db_path)) conn.execute( """CREATE TABLE proteins ( protein_id INTEGER PRIMARY KEY AUTOINCREMENT, uniprot_accession TEXT NOT NULL UNIQUE, uniprot_entry_name TEXT, gene_symbol TEXT, amino_acid_sequence TEXT, sequence_length INTEGER, organism TEXT DEFAULT 'Homo sapiens', taxonomy_id INTEGER DEFAULT 9606, subcellular_location TEXT, created_at TEXT DEFAULT (strftime('%Y-%m-%dT%H:%M:%SZ', 'now')), updated_at TEXT DEFAULT (strftime('%Y-%m-%dT%H:%M:%SZ', 'now')) )""" ) conn.executemany( "INSERT INTO proteins (uniprot_accession) VALUES (?)", [("P12345",), ("Q9UHC1",), ("P99999",)], ) conn.commit() conn.close() return db_path def _mock_uniprot_response(): """Build a mock UniProt JSON response.""" return { "results": [ { "primaryAccession": "P12345", "sequence": {"value": "MKTAYIAKQRQISFVKSHFSRQ"}, "genes": [{"geneName": {"value": "BRCA1"}}], "comments": [ { "commentType": "SUBCELLULAR LOCATION", "subcellularLocations": [ {"location": {"value": "Nucleus"}} ], } ], }, { "primaryAccession": "Q9UHC1", "sequence": {"value": "MAAPWRRGARL"}, "genes": [{"geneName": {"value": "MLH1"}}], "comments": [], }, # P99999 deliberately missing — simulates 404/obsolete ] } class TestFetchUniprotBatch: @patch("fetch_sequences.requests.get") def test_basic_fetch(self, mock_get): mock_resp = MagicMock() mock_resp.status_code = 200 mock_resp.json.return_value = _mock_uniprot_response() mock_resp.raise_for_status = MagicMock() mock_get.return_value = mock_resp result = fetch_uniprot_batch(["P12345", "Q9UHC1", "P99999"]) assert "P12345" in result assert result["P12345"]["sequence"] == "MKTAYIAKQRQISFVKSHFSRQ" assert result["P12345"]["gene_symbol"] == "BRCA1" assert result["P12345"]["subcellular_location"] == "Nucleus" assert "Q9UHC1" in result assert result["Q9UHC1"]["gene_symbol"] == "MLH1" assert result["Q9UHC1"]["subcellular_location"] is None # P99999 not in response → not in result assert "P99999" not in result def test_empty_list(self): result = fetch_uniprot_batch([]) assert result == {} @patch("fetch_sequences.requests.get") def test_retry_on_failure(self, mock_get): import requests as req mock_fail = MagicMock() mock_fail.raise_for_status.side_effect = req.HTTPError("503") mock_ok = MagicMock() mock_ok.json.return_value = {"results": []} mock_ok.raise_for_status = MagicMock() mock_get.side_effect = [mock_fail, mock_ok] with patch("fetch_sequences.RETRY_BACKOFF", 0.01): result = fetch_uniprot_batch(["P12345"]) assert result == {} assert mock_get.call_count == 2 class TestUpdateProteinSequences: @patch("fetch_sequences.fetch_uniprot_batch") def test_update_sequences(self, mock_fetch, ppi_db): mock_fetch.return_value = { "P12345": { "sequence": "MKTAYIAKQRQISFVKSHFSRQ", "gene_symbol": "BRCA1", "subcellular_location": "Nucleus", }, "Q9UHC1": { "sequence": "MAAPWRRGARL", "gene_symbol": "MLH1", "subcellular_location": None, }, # P99999 missing → fails } summary = update_protein_sequences(ppi_db, batch_size=500, delay=0) assert summary["total"] == 3 assert summary["fetched"] == 2 assert summary["failed"] == 1 conn = sqlite3.connect(str(ppi_db)) rows = conn.execute( "SELECT uniprot_accession, amino_acid_sequence, sequence_length, gene_symbol " "FROM proteins ORDER BY uniprot_accession" ).fetchall() conn.close() # P12345 assert rows[0][1] == "MKTAYIAKQRQISFVKSHFSRQ" assert rows[0][2] == 22 assert rows[0][3] == "BRCA1" # P99999 still NULL assert rows[1][1] is None # Q9UHC1 assert rows[2][1] == "MAAPWRRGARL" assert rows[2][2] == 11 @patch("fetch_sequences.fetch_uniprot_batch") def test_checkpoint_resume(self, mock_fetch, ppi_db, tmp_path): checkpoint = tmp_path / "checkpoint.json" # First run: fetch P12345 only (batch_size=1, limit 1 batch) mock_fetch.return_value = { "P12345": { "sequence": "MKTA", "gene_symbol": None, "subcellular_location": None, }, } update_protein_sequences( ppi_db, batch_size=1, delay=0, checkpoint_path=checkpoint ) assert checkpoint.exists() with open(checkpoint) as f: ckpt = json.load(f) # At least P12345 should be in completed assert "P12345" in ckpt["completed"] @patch("fetch_sequences.fetch_uniprot_batch") def test_preserves_existing_gene_symbol(self, mock_fetch, ppi_db): """COALESCE should not overwrite existing gene_symbol.""" conn = sqlite3.connect(str(ppi_db)) conn.execute( "UPDATE proteins SET gene_symbol = 'EXISTING' WHERE uniprot_accession = 'P12345'" ) conn.commit() conn.close() mock_fetch.return_value = { "P12345": { "sequence": "MKTA", "gene_symbol": "NEW_GENE", "subcellular_location": None, }, "Q9UHC1": { "sequence": "MAAP", "gene_symbol": "MLH1", "subcellular_location": None, }, "P99999": { "sequence": "ABCD", "gene_symbol": None, "subcellular_location": None, }, } update_protein_sequences(ppi_db, batch_size=500, delay=0) conn = sqlite3.connect(str(ppi_db)) row = conn.execute( "SELECT gene_symbol FROM proteins WHERE uniprot_accession = 'P12345'" ).fetchone() conn.close() # COALESCE keeps existing value assert row[0] == "EXISTING"