"""
Tests for the PubChem MCP server implementation.
"""
import pytest
from pubchem_mcp_server import (
search_compound_by_name,
search_compound_by_smiles,
search_compound_by_inchi,
get_compound_details,
get_compound_sdf,
get_compound_smiles,
get_compound_inchi
)
# Test compounds
TEST_COMPOUND_NAME = "aspirin"
TEST_SMILES = "CC(=O)OC1=CC=CC=C1C(=O)O" # Aspirin SMILES
TEST_INCHI = "InChI=1S/C9H8O4/c1-6(10)13-8-5-3-2-4-7(8)9(11)12/h2-5H,1H3,(H,11,12)" # Aspirin InChI
TEST_CID = "2244" # Aspirin CID
@pytest.mark.asyncio
async def test_search_compound_by_name():
"""Test compound search by name functionality."""
result = await search_compound_by_name(TEST_COMPOUND_NAME)
assert "Compound" in result
assert "PubChem CID" in result
assert "Formula" in result
assert "Weight" in result
@pytest.mark.asyncio
async def test_search_compound_by_smiles():
"""Test compound search by SMILES functionality."""
result = await search_compound_by_smiles(TEST_SMILES)
assert "Compound Details" in result
assert "CID" in result
assert "Name" in result
@pytest.mark.asyncio
async def test_search_compound_by_inchi():
"""Test compound search by InChI functionality."""
result = await search_compound_by_inchi(TEST_INCHI)
assert "Compound Details" in result
assert "CID" in result
assert "Name" in result
@pytest.mark.asyncio
async def test_get_compound_details():
"""Test getting compound details."""
result = await get_compound_details(TEST_CID)
assert "Compound Details" in result
assert "Name" in result
assert "Formula" in result
assert "Weight" in result
assert "LogP" in result
@pytest.mark.asyncio
async def test_get_compound_sdf():
"""Test getting compound SDF format."""
result = await get_compound_sdf(TEST_CID)
assert "V3000" in result or "V2000" in result # SDF format markers
assert "M END" in result # SDF end marker
@pytest.mark.asyncio
async def test_get_compound_smiles():
"""Test getting compound SMILES."""
result = await get_compound_smiles(TEST_CID)
assert "SMILES" in result
assert TEST_CID in result
assert TEST_SMILES in result
@pytest.mark.asyncio
async def test_get_compound_inchi():
"""Test getting compound InChI."""
result = await get_compound_inchi(TEST_CID)
assert "InChI" in result
assert TEST_CID in result
assert TEST_INCHI in result
@pytest.mark.asyncio
async def test_error_handling():
"""Test error handling for invalid inputs."""
# Test invalid compound name
result = await search_compound_by_name("invalid_compound_name_xyz")
assert "No compounds found" in result
# Test invalid SMILES
result = await search_compound_by_smiles("invalid_smiles")
assert "No compounds found" in result
# Test invalid InChI
result = await search_compound_by_inchi("invalid_inchi")
assert "No compounds found" in result
# Test invalid CID
result = await get_compound_details("999999999")
assert "Error" in result
