"""Tests for LLM benchmark evaluation functions.""" import json import pytest from negbiodb.llm_eval import ( compute_all_llm_metrics, evaluate_l1, evaluate_l2, evaluate_l3, evaluate_l4, parse_l1_answer, parse_l2_response, parse_l3_judge_scores, parse_l4_answer, ) # ── L1 MCQ Parsing ────────────────────────────────────────────────────────── class TestParseL1Answer: def test_single_letter(self): assert parse_l1_answer("A") == "A" assert parse_l1_answer("b") == "B" assert parse_l1_answer("C") == "C" assert parse_l1_answer("d") == "D" def test_with_text(self): assert parse_l1_answer("A) Active") == "A" assert parse_l1_answer("The answer is B") == "B" def test_lowercase(self): assert parse_l1_answer("a") == "A" def test_invalid(self): assert parse_l1_answer("") is None assert parse_l1_answer("xyz") is None def test_whitespace(self): assert parse_l1_answer(" A ") == "A" # M-5: MCQ-specific patterns def test_answer_colon(self): assert parse_l1_answer("Answer: B") == "B" def test_answer_is(self): assert parse_l1_answer("The answer is C") == "C" def test_parenthesized(self): assert parse_l1_answer("(D)") == "D" def test_letter_dot(self): assert parse_l1_answer("A. This is active") == "A" def test_choice_colon(self): assert parse_l1_answer("Choice: B") == "B" # ── L1 MCQ Evaluation ──────────────────────────────────────────────────────── class TestEvaluateL1: def test_perfect(self): preds = ["A", "B", "C", "D"] gold = ["A", "B", "C", "D"] result = evaluate_l1(preds, gold) assert result["accuracy"] == 1.0 assert result["mcc"] == 1.0 assert result["parse_rate"] == 1.0 def test_all_wrong(self): preds = ["B", "A", "D", "C"] gold = ["A", "B", "C", "D"] result = evaluate_l1(preds, gold) assert result["accuracy"] == 0.0 def test_partial(self): preds = ["A", "B", "A", "D"] gold = ["A", "B", "C", "D"] result = evaluate_l1(preds, gold) assert result["accuracy"] == 0.75 def test_unparseable(self): preds = ["A", "xyz", "C"] gold = ["A", "B", "C"] result = evaluate_l1(preds, gold) assert result["n_valid"] == 2 assert result["parse_rate"] == pytest.approx(2 / 3) def test_empty(self): result = evaluate_l1([], []) assert result["accuracy"] == 0.0 assert result["n_total"] == 0 def test_per_class_accuracy(self): preds = ["A", "A", "B", "B"] gold = ["A", "A", "B", "C"] classes = ["active", "active", "inactive", "inconclusive"] result = evaluate_l1(preds, gold, classes) assert result["per_class_accuracy"]["active"] == 1.0 assert result["per_class_accuracy"]["inactive"] == 1.0 assert result["per_class_accuracy"]["inconclusive"] == 0.0 # ── L2 JSON Parsing ────────────────────────────────────────────────────────── class TestParseL2Response: def test_plain_json(self): r = '{"negative_results": [], "total_inactive_count": 0}' result = parse_l2_response(r) assert result is not None assert result["total_inactive_count"] == 0 def test_code_fenced_json(self): r = '```json\n{"total_inactive_count": 5}\n```' result = parse_l2_response(r) assert result is not None assert result["total_inactive_count"] == 5 def test_json_in_text(self): r = 'Here is the extraction:\n{"total_inactive_count": 3}\nDone.' result = parse_l2_response(r) assert result is not None def test_invalid_json(self): assert parse_l2_response("not json at all") is None def test_empty(self): assert parse_l2_response("") is None def test_code_fenced_python(self): """Code fence with non-json language tag should be stripped.""" r = '```python\n{"total_inactive_count": 7}\n```' result = parse_l2_response(r) assert result is not None assert result["total_inactive_count"] == 7 def test_code_fenced_bare(self): """Code fence with no language tag should be stripped.""" r = '```\n{"total_inactive_count": 2}\n```' result = parse_l2_response(r) assert result is not None assert result["total_inactive_count"] == 2 # ── L2 Evaluation ───────────────────────────────────────────────────────────── class TestEvaluateL2: def test_perfect_extraction(self): pred = json.dumps( { "negative_results": [ {"compound": "aspirin", "target": "EGFR"} ], "total_inactive_count": 1, "positive_results_mentioned": False, } ) gold = { "negative_results": [ {"compound": "aspirin", "target": "EGFR"} ], "total_inactive_count": 1, "positive_results_mentioned": False, } result = evaluate_l2([pred], [gold]) assert result["schema_compliance"] == 1.0 assert result["entity_f1"] == 1.0 def test_missing_entity(self): pred = json.dumps({"negative_results": [], "total_inactive_count": 0}) gold = { "negative_results": [ {"compound": "aspirin", "target": "EGFR"} ], "total_inactive_count": 1, } result = evaluate_l2([pred], [gold]) assert result["entity_f1"] == 0.0 # ── L3 Judge Parsing ────────────────────────────────────────────────────────── class TestParseL3JudgeScores: def test_valid(self): r = '{"accuracy": 4, "reasoning": 3, "completeness": 5, "specificity": 2}' scores = parse_l3_judge_scores(r) assert scores is not None assert scores["accuracy"] == 4.0 assert scores["specificity"] == 2.0 def test_out_of_range(self): r = '{"accuracy": 6, "reasoning": 3, "completeness": 5, "specificity": 2}' scores = parse_l3_judge_scores(r) assert scores is None # accuracy=6 is out of range def test_incomplete(self): r = '{"accuracy": 4, "reasoning": 3}' scores = parse_l3_judge_scores(r) assert scores is None # missing dimensions # ── L3 Evaluation ───────────────────────────────────────────────────────────── class TestEvaluateL3: def test_basic(self): scores = [ {"accuracy": 4, "reasoning": 3, "completeness": 5, "specificity": 2}, {"accuracy": 3, "reasoning": 4, "completeness": 4, "specificity": 3}, ] result = evaluate_l3(scores) assert result["accuracy"]["mean"] == 3.5 assert result["overall"]["mean"] == pytest.approx(3.5) assert result["n_valid"] == 2 def test_empty(self): result = evaluate_l3([]) assert result["accuracy"]["mean"] == 0.0 # L-4: Empty return must have all expected keys assert "overall" in result assert result["overall"]["mean"] == 0.0 assert result["n_valid"] == 0 assert result["n_total"] == 0 def test_with_none(self): scores = [ {"accuracy": 4, "reasoning": 3, "completeness": 5, "specificity": 2}, None, ] result = evaluate_l3(scores) assert result["n_valid"] == 1 # ── L4 Parsing ──────────────────────────────────────────────────────────────── class TestParseL4Answer: def test_tested(self): answer, evidence = parse_l4_answer("tested\nChEMBL CHEMBL25") assert answer == "tested" assert "ChEMBL" in evidence def test_untested(self): answer, evidence = parse_l4_answer("untested") assert answer == "untested" def test_tested_in_sentence(self): answer, _ = parse_l4_answer("This pair has been tested.") assert answer == "tested" def test_empty(self): answer, _ = parse_l4_answer("") assert answer is None # M-4: "not tested" negation patterns def test_not_tested(self): answer, _ = parse_l4_answer("not tested") assert answer == "untested" def test_has_not_been_tested(self): answer, _ = parse_l4_answer("This pair has not been tested.") assert answer == "untested" def test_not_tested_sentence(self): answer, _ = parse_l4_answer("This compound has not been tested against this target.") assert answer == "untested" def test_never_tested(self): answer, _ = parse_l4_answer("This pair has never tested positive.") # "never tested" should match untested answer2, _ = parse_l4_answer("never tested") assert answer2 == "untested" def test_never_been_tested(self): answer, _ = parse_l4_answer("This compound has never been tested against EGFR.") assert answer == "untested" def test_hasnt_been_tested(self): answer, _ = parse_l4_answer("This compound hasn't been tested against EGFR.") assert answer == "untested" def test_no_evidence_of_testing(self): answer, _ = parse_l4_answer("No evidence of testing for this pair.") assert answer == "untested" # ── L4 Evaluation ───────────────────────────────────────────────────────────── class TestEvaluateL4: def test_perfect(self): preds = ["tested", "untested", "tested", "untested"] gold = ["tested", "untested", "tested", "untested"] result = evaluate_l4(preds, gold) assert result["accuracy"] == 1.0 assert result["mcc"] == 1.0 def test_with_evidence(self): preds = [ "tested\nChEMBL CHEMBL25 compound tested with IC50 measurement in biochemical assay", "untested", "tested\nPubChem AID123456 confirmed inactive in dose-response screening", "tested", ] gold = ["tested", "untested", "tested", "tested"] result = evaluate_l4(preds, gold) assert result["accuracy"] == 1.0 assert result["evidence_citation_rate"] == pytest.approx(2 / 3) # M-10: Short filler evidence should not count def test_evidence_short_filler_rejected(self): """Evidence under 50 chars without keywords should not count.""" preds = [ "tested\nyes it was", # short filler, no keywords ] gold = ["tested"] result = evaluate_l4(preds, gold) assert result["evidence_citation_rate"] == 0.0 def test_evidence_keyword_short_rejected(self): """Short evidence WITH a keyword should NOT count (AND logic: >50 AND keyword).""" preds = [ "tested\nChEMBL ID found", # has keyword but too short ] gold = ["tested"] result = evaluate_l4(preds, gold) assert result["evidence_citation_rate"] == 0.0 def test_temporal(self): preds = ["tested", "tested", "untested", "untested"] gold = ["tested", "untested", "tested", "untested"] temporal = ["pre_2023", "pre_2023", "post_2024", "post_2024"] result = evaluate_l4(preds, gold, temporal) assert result["accuracy_pre_2023"] == 0.5 assert result["accuracy_post_2024"] == 0.5 def test_contamination_gap_flagged(self): """Gap > 0.15 should set contamination_flag=True.""" # 4 pre_2023 correct, 0 post_2024 correct → gap = 1.0 preds = ["tested", "untested", "untested", "tested"] gold = ["tested", "untested", "tested", "untested"] temporal = ["pre_2023", "pre_2023", "post_2024", "post_2024"] result = evaluate_l4(preds, gold, temporal) assert result["accuracy_pre_2023"] == 1.0 assert result["accuracy_post_2024"] == 0.0 assert result["contamination_gap"] == 1.0 assert result["contamination_flag"] is True def test_contamination_gap_not_flagged(self): """Gap <= 0.15 should set contamination_flag=False.""" # Equal accuracy across temporal groups → gap = 0.0 preds = ["tested", "untested", "tested", "untested"] gold = ["tested", "untested", "tested", "untested"] temporal = ["pre_2023", "pre_2023", "post_2024", "post_2024"] result = evaluate_l4(preds, gold, temporal) assert result["accuracy_pre_2023"] == 1.0 assert result["accuracy_post_2024"] == 1.0 assert result["contamination_gap"] == 0.0 assert result["contamination_flag"] is False # ── Dispatch ────────────────────────────────────────────────────────────────── class TestComputeAllLLMMetrics: def test_l1_dispatch(self): gold = [ {"correct_answer": "A", "class": "active"}, {"correct_answer": "B", "class": "inactive"}, ] result = compute_all_llm_metrics("l1", ["A", "B"], gold) assert result["accuracy"] == 1.0 def test_l4_dispatch(self): gold = [ {"correct_answer": "tested"}, {"correct_answer": "untested"}, ] result = compute_all_llm_metrics("l4", ["tested", "untested"], gold) assert result["accuracy"] == 1.0 def test_invalid_task(self): with pytest.raises(ValueError, match="Unknown task"): compute_all_llm_metrics("l99", [], [])