run_local.py

#!/usr/bin/env python3
"""
Simple script to run AbMelt pipeline locally for testing
"""

import os
import sys
from pathlib import Path
import json

# Add src to path
sys.path.insert(0, str(Path(__file__).parent / "src"))

def load_example_sequences():
    """Load example antibody sequences"""
    example_file = Path(__file__).parent / "data" / "example_antibodies.json"
    
    if example_file.exists():
        with open(example_file, 'r') as f:
            data = json.load(f)
        return data['test_antibodies']
    else:
        # Fallback sequences
        return [
            {
                "name": "Test Antibody",
                "heavy_chain": "QVQLVQSGAEVKKPGASVKVSCKASGYTFTSYYMHWVRQAPGQGLEWMGIINPSGGSTNYAQKFQGRVTMTRDTSASTAYMELSSLRSEDTAVYYCAR",
                "light_chain": "DIQMTQSPSSLSASVGDRVTITCRASQSISSYLNWYQQKPGKAPKLLIYAASSLQSGVPSRFSGSGSGTDFTLTISSLQPEDFATYYCQQSYST"
            }
        ]

def run_validation():
    """Run pipeline validation"""
    print("🧪 Running AbMelt Pipeline Validation...")
    print("=" * 50)
    
    try:
        import test_pipeline
        success = test_pipeline.run_all_tests()
        
        if success:
            print("🎉 All validation tests passed!")
            print("✅ Pipeline is ready to use")
            return True
        else:
            print("❌ Some validation tests failed")
            print("⚠️  Check logs above for details")
            return False
            
    except Exception as e:
        print(f"❌ Validation failed with error: {e}")
        return False

def run_gradio_app():
    """Run the Gradio application"""
    print("🚀 Starting AbMelt Gradio Interface...")
    print("📱 Open your browser to: http://localhost:7860")
    print("⏹️  Press Ctrl+C to stop")
    print("=" * 50)
    
    try:
        import app
        # The app.py file will handle the launch
        pass
    except KeyboardInterrupt:
        print("\\n👋 Shutting down...")
    except Exception as e:
        print(f"❌ Failed to start Gradio app: {e}")

def show_example_sequences():
    """Display example sequences for testing"""
    print("🧬 Example Antibody Sequences for Testing:")
    print("=" * 50)
    
    examples = load_example_sequences()
    
    for i, antibody in enumerate(examples, 1):
        print(f"\\n{i}. {antibody['name']}")
        print(f"   Target: {antibody.get('target', 'Unknown')}")
        print(f"   Heavy Chain: {antibody['heavy_chain'][:50]}...")
        print(f"   Light Chain: {antibody['light_chain'][:50]}...")
        if 'description' in antibody:
            print(f"   Description: {antibody['description']}")

def main():
    """Main entry point"""
    print("🧬 AbMelt Pipeline - Local Runner")
    print("=" * 50)
    
    if len(sys.argv) > 1:
        command = sys.argv[1].lower()
    else:
        print("Available commands:")
        print("  python run_local.py test     - Run validation tests")
        print("  python run_local.py run      - Start Gradio interface") 
        print("  python run_local.py examples - Show example sequences")
        print("  python run_local.py help     - Show this help")
        return
    
    if command == "test" or command == "validate":
        run_validation()
        
    elif command == "run" or command == "start":
        # First run quick validation
        print("🔍 Quick validation check...")
        if run_validation():
            print("\\n" + "=" * 50)
            run_gradio_app()
        else:
            print("\\n❌ Validation failed. Please fix issues before running the app.")
            
    elif command == "examples":
        show_example_sequences()
        
    elif command == "help" or command == "--help":
        print("AbMelt Pipeline Local Runner")
        print("\\nCommands:")
        print("  test/validate - Run all validation tests")
        print("  run/start     - Start the Gradio web interface") 
        print("  examples      - Show example antibody sequences")
        print("  help          - Show this help message")
        print("\\nUsage:")
        print("  python run_local.py test")
        print("  python run_local.py run")
        
    else:
        print(f"❌ Unknown command: {command}")
        print("Run 'python run_local.py help' for available commands")

if __name__ == "__main__":
    main()