app.py

import gradio as gr
from ultralytics import YOLO
from huggingface_hub import hf_hub_download
from PIL import Image
import torch
import torch.serialization
import os
import hashlib
import warnings
from typing import Optional

# ===== IMPORT ALL ULTRALYTICS MODULES =====
from torch.nn import Sequential, Conv2d, BatchNorm2d, SiLU, ReLU, LeakyReLU, MaxPool2d, Upsample, ModuleList
from ultralytics.nn.modules import (
    Conv, Concat, 
    Bottleneck, C2f, SPPF, 
    Detect, DFL,  # Added DFL
    C2fAttn, ImagePoolingAttn,  # Common attention modules
    HGStem, HGBlock,  # Additional blocks
    AIFI,  # Additional modules
    Segment, Pose, Classify, RTDETRDecoder  # Task-specific heads
)
from ultralytics.nn.tasks import DetectionModel, SegmentationModel, PoseModel, ClassificationModel

# ===== SAFE GLOBALS CONFIGURATION =====
# Add all components to safe globals
torch.serialization.add_safe_globals([
    # Torch modules
    Sequential, Conv2d, BatchNorm2d, SiLU, ReLU, LeakyReLU, 
    MaxPool2d, Upsample, ModuleList,
    
    # Ultralytics modules
    DetectionModel, SegmentationModel, PoseModel, ClassificationModel,
    Conv, Concat,
    Bottleneck, C2f, SPPF,
    Detect, DFL,  # Added DFL
    C2fAttn, ImagePoolingAttn,
    HGStem, HGBlock,
    AIFI,
    Segment, Pose, Classify, RTDETRDecoder
])

# ===== MODEL CONFIG =====
MODEL_REPO = "Safi029/ABD-model"
MODEL_FILE = "ABD.pt"
EXPECTED_SHA256 = "c3335b0cc6c504c4ac74b62bf2bc9aa06ecf402fa71184ec88f40a1f37979859"

# ===== HELPER FUNCTIONS =====
def verify_model(file_path: str) -> bool:
    """Verify model integrity using SHA256 hash"""
    sha256 = hashlib.sha256()
    with open(file_path, "rb") as f:
        while chunk := f.read(8192):
            sha256.update(chunk)
    actual_hash = sha256.hexdigest()
    print(f"🔍 Model SHA256: {actual_hash}")
    return actual_hash == EXPECTED_SHA256.lower()

def download_model() -> str:
    """Download and verify model"""
    os.makedirs("models", exist_ok=True)
    model_path = os.path.join("models", MODEL_FILE)
    
    if not os.path.exists(model_path) or not verify_model(model_path):
        print("⬇️ Downloading model...")
        hf_hub_download(
            repo_id=MODEL_REPO,
            filename=MODEL_FILE,
            local_dir="models",
            force_download=True
        )
        
        if not verify_model(model_path):
            raise ValueError("❌ Downloaded model failed verification!")
    
    return model_path

def load_model(model_path: str) -> YOLO:
    """Safely load YOLO model with error handling"""
    print("🔧 Loading model...")
    try:
        # Temporary monkey patch for PyTorch 2.6+ weights_only restriction
        # ONLY USE IF YOU TRUST THE MODEL SOURCE!
        original_load = torch.load
        torch.load = lambda *args, **kwargs: original_load(*args, **kwargs, weights_only=False)
        
        model = YOLO(model_path, task='detect')
        
        # Restore original torch.load
        torch.load = original_load
        
        # Test with small dummy input
        with torch.no_grad():
            dummy = torch.zeros(1, 3, 640, 640)
            model(dummy)
        print("✅ Model loaded and verified!")
        return model
    except Exception as e:
        # Ensure original torch.load is restored even if error occurs
        if 'original_load' in locals():
            torch.load = original_load
        raise RuntimeError(f"Model loading failed: {str(e)}")

# ===== GRADIO INTERFACE =====
def create_interface(model):
    def detect_structure(image: Image.Image) -> Image.Image:
        """Run detection on input image"""
        try:
            results = model(image)
            return Image.fromarray(results[0].plot())
        except Exception as e:
            print(f"❌ Inference error: {e}")
            error_img = Image.new("RGB", (300, 100), color="red")
            return error_img

    return gr.Interface(
        fn=detect_structure,
        inputs=gr.Image(type="pil", label="Input Image"),
        outputs=gr.Image(type="pil", label="Detection Results"),
        title="YOLOv8 Molecular Structure Detector",
        description="🔬 Detect atoms and bonds in molecular structures",
        examples=[["example.jpg"]] if os.path.exists("example.jpg") else None
    )

# ===== MAIN APPLICATION =====
def main():
    try:
        print(f"PyTorch: {torch.__version__}")
        print(f"CUDA: {torch.cuda.is_available()}")
        
        # Download and load model
        model_path = download_model()
        model = load_model(model_path)
        
        # Create and launch interface
        demo = create_interface(model)
        print("🚀 Starting Gradio interface...")
        demo.launch(
            server_name="0.0.0.0",
            share=False,
            server_port=7860
        )

    except Exception as e:
        print(f"❌ Fatal error: {str(e)}")
        raise

if __name__ == "__main__":
    # Suppress torch.load warnings
    warnings.filterwarnings("ignore", category=UserWarning, message="torch.load")
    main()