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#!/usr/bin/env python3
"""Test the BioFlow Agent API endpoints."""
import requests
import json
BASE_URL = "http://localhost:8000"
def test_health():
"""Test health endpoint."""
r = requests.get(f"{BASE_URL}/health")
print(f"Health: {r.status_code}")
return r.status_code == 200
def test_generate():
"""Test molecule generation endpoint."""
print("\n[1] Testing /api/agents/generate...")
data = {
"prompt": "Design a kinase inhibitor for EGFR",
"mode": "text",
"num_samples": 3,
}
r = requests.post(f"{BASE_URL}/api/agents/generate", json=data)
print(f" Status: {r.status_code}")
if r.status_code == 200:
result = r.json()
print(f" [OK] Generated: {len(result.get('molecules', []))} molecules")
for mol in result.get("molecules", [])[:2]:
smiles = mol.get("smiles", "")[:40]
print(f" - {smiles}...")
return True
else:
print(f" [ERROR] {r.text}")
return False
def test_validate():
"""Test molecule validation endpoint."""
print("\n[2] Testing /api/agents/validate...")
data = {
"smiles": [
"CC(=O)Oc1ccccc1C(=O)O", # Aspirin
"Cn1cnc2c1c(=O)n(C)c(=O)n2C", # Caffeine
"CC(=O)Nc1ccc(O)cc1", # Paracetamol
],
}
r = requests.post(f"{BASE_URL}/api/agents/validate", json=data)
print(f" Status: {r.status_code}")
if r.status_code == 200:
result = r.json()
summary = result.get("summary", {})
print(f" [OK] Validated: {summary.get('total', 0)} molecules")
print(f" Passed: {summary.get('passed', 0)}")
for val in result.get("validations", [])[:2]:
smiles = val.get("smiles", "")[:25]
score = val.get("score", 0)
status = val.get("status", "?")
print(f" - {smiles}... score={score:.3f} ({status})")
return True
else:
print(f" [ERROR] {r.text}")
return False
def test_rank():
"""Test candidate ranking endpoint."""
print("\n[3] Testing /api/agents/rank...")
data = {
"candidates": [
{"smiles": "CCO", "validation_score": 0.8, "confidence": 0.9},
{"smiles": "CC", "validation_score": 0.9, "confidence": 0.7},
{"smiles": "CCC", "validation_score": 0.7, "confidence": 0.8},
],
"top_k": 2,
}
r = requests.post(f"{BASE_URL}/api/agents/rank", json=data)
print(f" Status: {r.status_code}")
if r.status_code == 200:
result = r.json()
ranked = result.get("ranked", [])
print(f" [OK] Ranked: {len(ranked)} candidates")
for cand in ranked:
print(f" [{cand.get('rank')}] {cand.get('smiles')} score={cand.get('final_score', 0):.3f}")
return True
else:
print(f" [ERROR] {r.text}")
return False
def test_workflow():
"""Test full discovery workflow endpoint."""
print("\n[4] Testing /api/agents/workflow...")
data = {
"query": "Design an EGFR inhibitor with good oral bioavailability",
"num_candidates": 5,
"top_k": 3,
}
r = requests.post(f"{BASE_URL}/api/agents/workflow", json=data)
print(f" Status: {r.status_code}")
if r.status_code == 200:
result = r.json()
print(f" [OK] Workflow status: {result.get('status')}")
print(f" Steps: {result.get('steps_completed')}/{result.get('total_steps')}")
print(f" Time: {result.get('execution_time_ms', 0):.1f}ms")
top = result.get("top_candidates", [])
print(f" Top {len(top)} candidates:")
for cand in top:
smiles = cand.get("smiles", "")[:30]
score = cand.get("final_score", 0)
print(f" - {smiles}... (score={score:.3f})")
return True
else:
print(f" [ERROR] {r.text}")
return False
if __name__ == "__main__":
print("=" * 60)
print("BioFlow Agent API Test")
print("=" * 60)
# Wait for server
import time
for i in range(10):
try:
if test_health():
break
except:
print(f"Waiting for server... ({i+1}/10)")
time.sleep(1)
else:
print("[ERROR] Server not available")
exit(1)
# Run tests
test_generate()
test_validate()
test_rank()
test_workflow()
print("\n" + "=" * 60)
print("[OK] Agent API tests complete!")
print("=" * 60)
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