"""Tests for NegBioDB database creation and migration runner.""" import sqlite3 from pathlib import Path import pytest from negbiodb.db import connect, create_database, get_applied_versions, run_migrations MIGRATIONS_DIR = Path(__file__).resolve().parent.parent / "migrations" EXPECTED_TABLES = { "compounds", "targets", "target_variants", "assays", "negative_results", "dti_context", "compound_target_pairs", "split_definitions", "split_assignments", "dataset_versions", "schema_migrations", } @pytest.fixture def db_path(tmp_path): return tmp_path / "test_negbiodb.db" @pytest.fixture def migrated_db(db_path): create_database(db_path, MIGRATIONS_DIR) return db_path class TestMigrationRunner: def test_creates_all_tables(self, migrated_db): with connect(migrated_db) as conn: rows = conn.execute( "SELECT name FROM sqlite_master WHERE type='table' " "AND name NOT LIKE 'sqlite_%'" ).fetchall() tables = {row[0] for row in rows} assert tables == EXPECTED_TABLES def test_idempotent(self, migrated_db): applied = run_migrations(migrated_db, MIGRATIONS_DIR) assert applied == [] with connect(migrated_db) as conn: count = conn.execute( "SELECT COUNT(*) FROM schema_migrations" ).fetchone()[0] assert count == 2 def test_schema_migrations_records_version(self, migrated_db): with connect(migrated_db) as conn: versions = get_applied_versions(conn) assert "001" in versions assert "002" in versions def test_returns_applied_versions(self, db_path): applied = run_migrations(db_path, MIGRATIONS_DIR) assert applied == ["001", "002"] class TestForeignKeys: def test_fk_enforcement(self, migrated_db): with connect(migrated_db) as conn: with pytest.raises(sqlite3.IntegrityError): conn.execute( "INSERT INTO negative_results " "(compound_id, target_id, result_type, confidence_tier, " " source_db, source_record_id, extraction_method) " "VALUES (99999, 99999, 'hard_negative', 'gold', " " 'chembl', 'TEST001', 'database_direct')" ) class TestUniqueConstraints: def _insert_compound(self, conn, smiles="CCO", inchikey="LFQSCWFLJHTTHZ-UHFFFAOYSA-N"): conn.execute( "INSERT INTO compounds (canonical_smiles, inchikey, " "inchikey_connectivity) VALUES (?, ?, ?)", (smiles, inchikey, inchikey[:14]), ) return conn.execute("SELECT last_insert_rowid()").fetchone()[0] def _insert_target(self, conn, accession="P00533"): conn.execute( "INSERT INTO targets (uniprot_accession) VALUES (?)", (accession,), ) return conn.execute("SELECT last_insert_rowid()").fetchone()[0] def test_duplicate_source_record_rejected(self, migrated_db): """NULL assay_id duplicates should be caught by COALESCE index.""" with connect(migrated_db) as conn: cid = self._insert_compound(conn) tid = self._insert_target(conn) conn.commit() conn.execute( "INSERT INTO negative_results " "(compound_id, target_id, assay_id, result_type, confidence_tier, " " source_db, source_record_id, extraction_method) " "VALUES (?, ?, NULL, 'hard_negative', 'gold', " " 'chembl', 'REC001', 'database_direct')", (cid, tid), ) conn.commit() with pytest.raises(sqlite3.IntegrityError): conn.execute( "INSERT INTO negative_results " "(compound_id, target_id, assay_id, result_type, confidence_tier, " " source_db, source_record_id, extraction_method) " "VALUES (?, ?, NULL, 'hard_negative', 'gold', " " 'chembl', 'REC001', 'database_direct')", (cid, tid), ) def test_different_source_records_accepted(self, migrated_db): with connect(migrated_db) as conn: cid = self._insert_compound(conn) tid = self._insert_target(conn) conn.commit() for rec_id in ["REC001", "REC002"]: conn.execute( "INSERT INTO negative_results " "(compound_id, target_id, assay_id, result_type, confidence_tier, " " source_db, source_record_id, extraction_method) " "VALUES (?, ?, NULL, 'hard_negative', 'gold', " " 'chembl', ?, 'database_direct')", (cid, tid, rec_id), ) conn.commit() count = conn.execute( "SELECT COUNT(*) FROM negative_results" ).fetchone()[0] assert count == 2 class TestConnectionPragmas: def test_wal_mode(self, migrated_db): with connect(migrated_db) as conn: mode = conn.execute("PRAGMA journal_mode").fetchone()[0] assert mode == "wal" def test_foreign_keys_on(self, migrated_db): with connect(migrated_db) as conn: fk = conn.execute("PRAGMA foreign_keys").fetchone()[0] assert fk == 1