test_variation_selection.py

#!/usr/bin/env python3
"""
Test script to debug variation selection issue
"""

import sys
import os
sys.path.append(os.path.join(os.path.dirname(__file__), 'src'))

from src.molecules.variations import generate_chemical_series_variations
from src.ui.handlers import VariationHandlers

def test_variation_selection():
    """Test the variation selection functionality"""
    print("Testing variation selection...")
    
    # Test SMILES
    test_smiles = "C[C@H](N)C(=O)O"
    
    # Generate variations
    print(f"Generating variations for SMILES: {test_smiles}")
    variations = generate_chemical_series_variations(test_smiles)
    print(f"Generated {len(variations)} variations")
    
    if variations:
        print(f"First variation structure: {variations[0].keys()}")
        print(f"First variation image type: {type(variations[0]['image'])}")
        print(f"First variation SMILES: {variations[0]['smiles']}")
        print(f"First variation style: {variations[0]['style']}")
    
    # Test handler
    handler = VariationHandlers()
    handler.current_variations = variations
    
    # Test selection
    print("\nTesting selection...")
    result = handler.select_variation(0)  # Select first variation
    print(f"Selection result: {result}")
    print(f"Result image type: {type(result[0]) if result[0] else 'None'}")
    print(f"Result SMILES: {result[1]}")
    print(f"Result style: {result[2]}")

if __name__ == "__main__":
    test_variation_selection()