#!/usr/bin/env python3
"""
Test script for SMILES Visualizer MCP Server
"""
import asyncio
import json
import requests
import time
from typing import Dict, Any
class SMILESVisualizerTester:
"""Test client for SMILES Visualizer MCP Server"""
def __init__(self, base_url: str = "http://127.0.0.1:8080"):
self.base_url = base_url
self.session = requests.Session()
def test_tool(self, tool_name: str, arguments: Dict[str, Any]) -> Dict[str, Any]:
"""Test a specific tool"""
url = f"{self.base_url}/tools/{tool_name}/call"
try:
response = self.session.post(
url,
json={"arguments": arguments},
headers={"Content-Type": "application/json"},
timeout=30
)
response.raise_for_status()
return response.json()
except requests.exceptions.RequestException as e:
return {"error": f"Request failed: {str(e)}"}
def test_validate_smiles(self):
"""Test SMILES validation"""
print("Testing SMILES validation...")
test_cases = [
("CCO", "Valid ethanol"),
("CC(C)CC1=CC=C(C=C1)C(C)C(=O)O", "Valid ibuprofen"),
("INVALID_SMILES", "Invalid SMILES"),
("", "Empty SMILES")
]
for smiles, description in test_cases:
print(f" Testing {description}: {smiles}")
result = self.test_tool("validate_smiles", {"smiles": smiles})
print(f" Result: {json.dumps(result, indent=2)}")
print()
def test_get_molecular_info(self):
"""Test molecular information retrieval"""
print("Testing molecular information retrieval...")
test_smiles = "CCO" # Ethanol
print(f" Testing molecular info for: {test_smiles}")
result = self.test_tool("get_molecular_info", {"smiles": test_smiles})
print(f" Result: {json.dumps(result, indent=2)}")
print()
def test_visualize_rdkit(self):
"""Test RDKit visualization"""
print("Testing RDKit visualization...")
test_smiles = "CCO" # Ethanol
print(f" Testing RDKit visualization for: {test_smiles}")
result = self.test_tool("visualize_rdkit", {
"smiles": test_smiles,
"size": "400,300"
})
if "content" in result and len(result["content"]) > 0:
content = result["content"][0]
if "text" in content:
try:
data = json.loads(content["text"])
if "success" in data and data["success"]:
print(f" Success: Generated {data['format']} image ({data['size']})")
print(f" Base64 length: {len(data['image_base64'])} characters")
else:
print(f" Error: {data.get('error', 'Unknown error')}")
except json.JSONDecodeError:
print(f" Error: Invalid JSON response")
else:
print(f" Error: No text content in response")
else:
print(f" Error: No content in response")
print()
def test_visualize_network(self):
"""Test network visualization"""
print("Testing network visualization...")
test_smiles = "CCO" # Ethanol
print(f" Testing network visualization for: {test_smiles}")
result = self.test_tool("visualize_network", {
"smiles": test_smiles,
"layout": "spring"
})
if "content" in result and len(result["content"]) > 0:
content = result["content"][0]
if "text" in content:
try:
data = json.loads(content["text"])
if "success" in data and data["success"]:
print(f" Success: Generated {data['format']} image")
print(f" Layout: {data['layout']}")
print(f" Nodes: {data['num_nodes']}, Edges: {data['num_edges']}")
print(f" Base64 length: {len(data['image_base64'])} characters")
else:
print(f" Error: {data.get('error', 'Unknown error')}")
except json.JSONDecodeError:
print(f" Error: Invalid JSON response")
else:
print(f" Error: No text content in response")
else:
print(f" Error: No content in response")
print()
def test_visualize_plotly(self):
"""Test Plotly visualization"""
print("Testing Plotly visualization...")
test_smiles = "CCO" # Ethanol
print(f" Testing Plotly visualization for: {test_smiles}")
result = self.test_tool("visualize_plotly", {"smiles": test_smiles})
if "content" in result and len(result["content"]) > 0:
content = result["content"][0]
if "text" in content:
try:
data = json.loads(content["text"])
if "success" in data and data["success"]:
print(f" Success: Generated {data['format']} visualization")
print(f" HTML length: {len(data['html_content'])} characters")
else:
print(f" Error: {data.get('error', 'Unknown error')}")
except json.JSONDecodeError:
print(f" Error: Invalid JSON response")
else:
print(f" Error: No text content in response")
else:
print(f" Error: No content in response")
print()
def test_compare_visualizations(self):
"""Test comparison of all visualization types"""
print("Testing comparison of all visualization types...")
test_smiles = "CCO" # Ethanol
print(f" Testing all visualizations for: {test_smiles}")
result = self.test_tool("compare_visualizations", {"smiles": test_smiles})
if "content" in result and len(result["content"]) > 0:
content = result["content"][0]
if "text" in content:
try:
data = json.loads(content["text"])
if "error" not in data:
print(f" Success: Generated all visualization types")
print(f" Available types: {list(data.keys())}")
for viz_type, viz_data in data.items():
if viz_type == "molecular_info":
print(f" {viz_type}: Molecular information available")
elif "success" in viz_data and viz_data["success"]:
print(f" {viz_type}: Success")
else:
print(f" {viz_type}: Error - {viz_data.get('error', 'Unknown error')}")
else:
print(f" Error: {data.get('error', 'Unknown error')}")
except json.JSONDecodeError:
print(f" Error: Invalid JSON response")
else:
print(f" Error: No text content in response")
else:
print(f" Error: No content in response")
print()
def test_batch_visualize(self):
"""Test batch visualization"""
print("Testing batch visualization...")
test_smiles_list = ["CCO", "CC(C)CC1=CC=C(C=C1)C(C)C(=O)O", "CN1C=NC2=C1C(=O)N(C(=O)N2C)C"]
print(f" Testing batch visualization for {len(test_smiles_list)} molecules")
result = self.test_tool("batch_visualize", {
"smiles_list": test_smiles_list,
"visualization_type": "rdkit"
})
if "content" in result and len(result["content"]) > 0:
content = result["content"][0]
if "text" in content:
try:
data = json.loads(content["text"])
if "error" not in data:
print(f" Success: Processed {len(data)} molecules")
for mol_name, mol_data in data.items():
if "error" in mol_data:
print(f" {mol_name}: Error - {mol_data['error']}")
else:
print(f" {mol_name}: Success")
else:
print(f" Error: {data.get('error', 'Unknown error')}")
except json.JSONDecodeError:
print(f" Error: Invalid JSON response")
else:
print(f" Error: No text content in response")
else:
print(f" Error: No content in response")
print()
def run_all_tests(self):
"""Run all tests"""
print("=" * 60)
print("SMILES Visualizer MCP Server Test Suite")
print("=" * 60)
print()
# Check if server is running
try:
response = self.session.get(f"{self.base_url}/tools", timeout=5)
if response.status_code == 200:
print("✓ Server is running and responding")
print()
else:
print("✗ Server is not responding correctly")
return
except requests.exceptions.RequestException:
print("✗ Cannot connect to server. Make sure it's running on", self.base_url)
print(" Start the server with: python server.py")
return
# Run tests
self.test_validate_smiles()
self.test_get_molecular_info()
self.test_visualize_rdkit()
self.test_visualize_network()
self.test_visualize_plotly()
self.test_compare_visualizations()
self.test_batch_visualize()
print("=" * 60)
print("Test suite completed!")
print("=" * 60)
def main():
"""Main function"""
import argparse
parser = argparse.ArgumentParser(description="Test SMILES Visualizer MCP Server")
parser.add_argument(
"--url", "-u",
default="http://127.0.0.1:8001",
help="Server URL (default: http://127.0.0.1:8001)"
)
args = parser.parse_args()
tester = SMILESVisualizerTester(args.url)
tester.run_all_tests()
if __name__ == "__main__":
main()
