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biology
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protein-protein-interaction
gene-essentiality
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6d1bbc7 | 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50 51 52 53 54 55 56 57 58 59 60 61 62 63 64 65 66 67 68 69 70 71 72 73 74 75 76 77 78 79 80 81 82 83 84 85 86 87 88 89 90 91 92 93 94 95 96 97 98 99 100 101 102 103 104 105 106 107 108 109 110 111 112 113 114 115 116 117 118 119 120 121 122 123 124 125 126 127 128 129 130 131 132 133 134 135 136 137 138 139 140 141 142 143 144 145 146 147 148 149 150 151 152 153 154 155 156 157 158 159 160 161 162 163 164 165 166 167 168 169 170 171 172 173 174 175 176 177 178 179 180 181 182 183 184 185 186 187 188 189 190 191 192 193 194 195 196 197 198 199 200 201 202 203 204 205 206 207 208 209 210 211 212 213 214 215 216 217 218 219 220 221 222 223 224 225 226 227 228 229 230 231 232 233 234 235 236 237 238 239 240 241 242 243 244 245 | """Tests for PPI LLM dataset utilities (src/negbiodb_ppi/llm_dataset.py)."""
import json
from pathlib import Path
import numpy as np
import pandas as pd
import pytest
from negbiodb_ppi.llm_dataset import (
DETECTION_METHOD_DESCRIPTIONS,
JSONL_SCHEMA_FIELDS,
MAX_PER_PROTEIN,
SOURCE_TO_L1_CATEGORY,
apply_max_per_protein,
assign_splits,
construct_evidence_description,
construct_l3_context,
construct_l4_context,
read_jsonl,
write_jsonl,
)
# ── SOURCE_TO_L1_CATEGORY Tests ──────────────────────────────────────────
class TestSourceToL1Category:
def test_intact_maps_to_a(self):
assert SOURCE_TO_L1_CATEGORY["intact_gold"] == "A"
assert SOURCE_TO_L1_CATEGORY["intact_silver"] == "A"
def test_huri_maps_to_b(self):
assert SOURCE_TO_L1_CATEGORY["huri"] == "B"
def test_humap_maps_to_c(self):
assert SOURCE_TO_L1_CATEGORY["humap"] == "C"
def test_string_maps_to_d(self):
assert SOURCE_TO_L1_CATEGORY["string"] == "D"
def test_four_categories(self):
assert set(SOURCE_TO_L1_CATEGORY.values()) == {"A", "B", "C", "D"}
# ── construct_evidence_description Tests ─────────────────────────────────
class TestConstructEvidenceDescription:
def test_intact_easy(self):
rec = {"source_db": "intact", "detection_method": "co-immunoprecipitation",
"gene_symbol_1": "TP53", "gene_symbol_2": "CDK2"}
desc = construct_evidence_description(rec, "easy")
assert "co-immunoprecipitation" in desc
assert "TP53" in desc
assert "CDK2" in desc
assert "No physical interaction" in desc
def test_huri_easy(self):
rec = {"source_db": "huri", "gene_symbol_1": "TP53", "gene_symbol_2": "CDK2"}
desc = construct_evidence_description(rec, "easy")
assert "yeast two-hybrid" in desc.lower() or "Y2H" in desc
def test_humap_easy(self):
rec = {"source_db": "humap", "gene_symbol_1": "X", "gene_symbol_2": "Y"}
desc = construct_evidence_description(rec, "easy")
assert "machine learning" in desc.lower() or "co-fractionation" in desc.lower()
def test_string_easy(self):
rec = {"source_db": "string", "gene_symbol_1": "X", "gene_symbol_2": "Y"}
desc = construct_evidence_description(rec, "easy")
assert "evidence channels" in desc.lower() or "score" in desc.lower()
def test_difficulty_changes_wording(self):
rec = {"source_db": "intact", "detection_method": "co-immunoprecipitation",
"gene_symbol_1": "X", "gene_symbol_2": "Y"}
easy = construct_evidence_description(rec, "easy")
hard = construct_evidence_description(rec, "hard")
assert easy != hard # Different wording for different difficulties
# ── construct_l3_context Tests ───────────────────────────────────────────
class TestConstructL3Context:
def test_includes_both_proteins(self):
rec = {
"gene_symbol_1": "TP53", "uniprot_1": "P04637", "seq_len_1": 393,
"function_1": "Tumor suppressor", "location_1": "Nucleus",
"domains_1": "p53 domain",
"gene_symbol_2": "INS", "uniprot_2": "P01308", "seq_len_2": 110,
"function_2": "Insulin", "location_2": "Extracellular",
"domains_2": "Insulin domain",
"detection_method": "co-immunoprecipitation",
}
ctx = construct_l3_context(rec)
assert "TP53" in ctx
assert "INS" in ctx
assert "P04637" in ctx
assert "393" in ctx
assert "Tumor suppressor" in ctx
assert "Insulin" in ctx
assert "co-immunoprecipitation" in ctx
def test_handles_missing_fields(self):
rec = {"gene_symbol_1": "X", "gene_symbol_2": "Y"}
ctx = construct_l3_context(rec)
assert "X" in ctx
assert "Y" in ctx
# ── construct_l4_context Tests ───────────────────────────────────────────
class TestConstructL4Context:
def test_minimal_context(self):
rec = {"gene_symbol_1": "TP53", "gene_symbol_2": "BRCA1"}
ctx = construct_l4_context(rec)
assert "TP53" in ctx
assert "BRCA1" in ctx
assert "Homo sapiens" in ctx
assert "tested" in ctx.lower()
# ── apply_max_per_protein Tests ──────────────────────────────────────────
class TestApplyMaxPerProtein:
def test_caps_at_max(self):
df = pd.DataFrame({
"protein_id_1": [1] * 20 + [2] * 5,
"protein_id_2": [3] * 25,
"value": range(25),
})
result = apply_max_per_protein(df, max_per_protein=10)
# Protein 1 appears 20 times in column 1 → capped
counts_p1 = (result["protein_id_1"] == 1).sum()
assert counts_p1 <= 10
def test_no_op_under_limit(self):
df = pd.DataFrame({
"protein_id_1": [1, 1, 2, 2, 3],
"protein_id_2": [4, 5, 6, 7, 8],
"value": range(5),
})
result = apply_max_per_protein(df, max_per_protein=10)
assert len(result) == 5
def test_reproducibility(self):
df = pd.DataFrame({
"protein_id_1": [1] * 50,
"protein_id_2": [2] * 50,
"value": range(50),
})
r1 = apply_max_per_protein(df, max_per_protein=10, rng=np.random.RandomState(42))
r2 = apply_max_per_protein(df, max_per_protein=10, rng=np.random.RandomState(42))
pd.testing.assert_frame_equal(r1, r2)
def test_default_max(self):
assert MAX_PER_PROTEIN == 10
# ── assign_splits Tests ──────────────────────────────────────────────────
class TestAssignSplits:
def test_correct_split_sizes(self):
df = pd.DataFrame({"x": range(100)})
result = assign_splits(df, fewshot_size=10, val_size=20, test_size=70, seed=42)
assert (result["split"] == "fewshot").sum() == 10
assert (result["split"] == "val").sum() == 20
assert (result["split"] == "test").sum() == 70
assert len(result) == 100
def test_reproducibility(self):
df = pd.DataFrame({"x": range(50)})
r1 = assign_splits(df, 5, 10, 35, seed=42)
r2 = assign_splits(df, 5, 10, 35, seed=42)
pd.testing.assert_frame_equal(r1, r2)
def test_undersized_dataset(self):
df = pd.DataFrame({"x": range(20)})
result = assign_splits(df, fewshot_size=10, val_size=5, test_size=100, seed=42)
assert len(result) == 20
assert (result["split"] == "fewshot").sum() == 10
assert (result["split"] == "val").sum() == 5
assert (result["split"] == "test").sum() == 5
# ── JSONL I/O Tests ──────────────────────────────────────────────────────
class TestJSONLIO:
def test_write_read_roundtrip(self, tmp_path):
records = [
{"question_id": "PPIL1-001", "task": "ppi-l1", "gold_answer": "A"},
{"question_id": "PPIL1-002", "task": "ppi-l1", "gold_answer": "B"},
]
path = tmp_path / "test.jsonl"
write_jsonl(records, path)
loaded = read_jsonl(path)
assert loaded == records
def test_empty_write(self, tmp_path):
path = tmp_path / "empty.jsonl"
write_jsonl([], path)
loaded = read_jsonl(path)
assert loaded == []
def test_unicode_handling(self, tmp_path):
records = [{"name": "α-synuclein", "function": "Sjögren's protein"}]
path = tmp_path / "unicode.jsonl"
write_jsonl(records, path)
loaded = read_jsonl(path)
assert loaded[0]["name"] == "α-synuclein"
assert loaded[0]["function"] == "Sjögren's protein"
# ── Schema Field Tests ───────────────────────────────────────────────────
class TestSchemaFields:
def test_required_fields_present(self):
for field in ["question_id", "task", "split", "gold_answer", "context_text"]:
assert field in JSONL_SCHEMA_FIELDS
def test_gold_answer_not_correct_answer(self):
"""PPI uses gold_answer (consistent with CT domain)."""
assert "gold_answer" in JSONL_SCHEMA_FIELDS
assert "correct_answer" not in JSONL_SCHEMA_FIELDS
# ── Detection Method Descriptions Tests ──────────────────────────────────
class TestDetectionMethodDescriptions:
def test_has_common_methods(self):
assert "co-immunoprecipitation" in DETECTION_METHOD_DESCRIPTIONS
assert "pull down" in DETECTION_METHOD_DESCRIPTIONS
assert "two hybrid" in DETECTION_METHOD_DESCRIPTIONS
def test_descriptions_are_readable(self):
for method, desc in DETECTION_METHOD_DESCRIPTIONS.items():
assert len(desc) > 5, f"Description for {method} too short"
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