Merge pull request #2 from AdvancedPhotonSource/hf_ui

Add inference UI

Author: Linked-Liszt

.gitignore

@@ -7,6 +7,7 @@ __pycache__
 /data
 /original
 og
+.vscode
 
 # Non-Docker Training Outputs
 /src/trainer/outputs

compose.yaml

@@ -25,3 +25,17 @@ services:
     user: "${UID}:${GID}"
     command: python -m simulator.diffraction_generator --config /app/configs/simulator.yaml
     restart: "no"
+
+  ui:
+    build:
+      context: .
+      dockerfile: docker/ui.Dockerfile
+    ports:
+      - "7860:7860"
+    volumes:
+      - ./data/:/data/:ro
+      - ./src/ui/models/:/app/models/:ro
+    environment:
+      - PYTHONUNBUFFERED=1
+      - PORT=7860
+    restart: unless-stopped

docker/ui.Dockerfile

@@ -0,0 +1,42 @@
+# Multi-stage Dockerfile for XRD Analysis Tool
+# Stage 1: Build React frontend with Node.js
+FROM node:18-alpine AS frontend-builder
+
+WORKDIR /app/frontend
+
+COPY src/ui/frontend/package*.json ./
+
+RUN npm install
+
+COPY src/ui/frontend/ ./
+
+RUN npm run build
+
+# Stage 2: Python runtime with FastAPI
+FROM python:3.9-slim
+
+WORKDIR /app
+
+RUN apt-get update && apt-get install -y \
+    && rm -rf /var/lib/apt/lists/*
+
+COPY src/ui/requirements.txt ./
+
+RUN pip install --no-cache-dir -r requirements.txt
+
+COPY src/ui/app/ ./app/
+
+COPY --from=frontend-builder /app/frontend/dist ./frontend/dist
+
+# Create non-root user for security (HF Spaces requirement)
+RUN useradd -m -u 1000 user
+RUN chown -R user:user /app
+USER user
+
+# Expose port 7860 (Hugging Face Spaces default)
+EXPOSE 7860
+
+ENV PYTHONUNBUFFERED=1
+ENV PORT=7860
+
+CMD ["uvicorn", "app.main:app", "--host", "0.0.0.0", "--port", "7860"]

src/ui/.gitignore

@@ -0,0 +1,73 @@
+# Frontend build output
+dist/
+dist-ssr/
+*.local
+
+# Dependencies
+node_modules/
+.pnp
+.pnp.js
+
+# Python
+__pycache__/
+*.py[cod]
+*$py.class
+*.so
+.Python
+env/
+venv/
+ENV/
+build/
+develop-eggs/
+downloads/
+eggs/
+.eggs/
+lib/
+lib64/
+parts/
+sdist/
+var/
+wheels/
+*.egg-info/
+.installed.cfg
+*.egg
+
+# Models
+models
+
+# IDEs
+.vscode/
+.idea/
+*.swp
+*.swo
+*~
+.DS_Store
+
+# Environment
+.env
+.env.local
+.env.development.local
+.env.test.local
+.env.production.local
+
+# Logs
+npm-debug.log*
+yarn-debug.log*
+yarn-error.log*
+pnpm-debug.log*
+lerna-debug.log*
+*.log
+
+# Testing
+coverage/
+.nyc_output/
+
+# Editor directories and files
+.vscode/*
+!.vscode/extensions.json
+.idea
+*.suo
+*.ntvs*
+*.njsproj
+*.sln
+*.sw?

src/ui/app/__init__.py

@@ -0,0 +1,4 @@
+"""XRD Analysis API application"""
+from .main import app
+
+__all__ = ["app"]

src/ui/app/main.py

@@ -0,0 +1,133 @@
+"""
+FastAPI main application for XRD Analysis Tool.
+Serves both the API endpoints and the static React frontend.
+"""
+from fastapi import FastAPI, UploadFile, File
+from fastapi.staticfiles import StaticFiles
+from fastapi.responses import FileResponse, JSONResponse
+from fastapi.middleware.cors import CORSMiddleware
+from pathlib import Path
+from typing import Dict, List
+import torch
+import numpy as np
+
+from .model_inference import XRDModelInference
+
+# Initialize FastAPI app
+app = FastAPI(
+    title="XRD Analysis API",
+    description="API for analyzing Powder XRD data",
+    version="1.0.0"
+)
+
+# Configure CORS for local development
+app.add_middleware(
+    CORSMiddleware,
+    allow_origins=["http://localhost:5173", "http://localhost:3000"],  # Vite dev server
+    allow_credentials=True,
+    allow_methods=["*"],
+    allow_headers=["*"],
+)
+
+# Initialize model inference
+model_inference = XRDModelInference()
+
+
+@app.on_event("startup")
+async def startup_event():
+    """Load model on startup"""
+    model_inference.load_model()
+
+
+@app.get("/api/health")
+async def health_check():
+    """Health check endpoint"""
+    return {"status": "healthy", "model_loaded": model_inference.is_loaded()}
+
+
+@app.post("/api/predict")
+async def predict(data: dict):
+    """
+    Predict XRD analysis from preprocessed data.
+    
+    Expects JSON payload: {"x": [2theta values], "y": [intensity values], "metadata": {...}}
+    Returns: {"predictions": [...], "confidence": float}
+    """
+    import time
+    request_start = time.time()
+    
+    try:
+        # Extract metadata if present
+        metadata = data.get("metadata", {})
+        request_id = metadata.get("timestamp", "unknown")
+        filename = metadata.get("filename", "unknown")
+        analysis_count = metadata.get("analysisCount", "unknown")
+        
+        x = data.get("x", [])
+        y = data.get("y", [])
+        
+        if not x or not y:
+            return JSONResponse(
+                status_code=400,
+                content={"error": "Missing x or y data"}
+            )
+        
+        if len(x) != len(y):
+            return JSONResponse(
+                status_code=400,
+                content={"error": "x and y arrays must have the same length"}
+            )
+        
+        # Run inference
+        results = model_inference.predict(x, y)
+        
+        request_time = (time.time() - request_start) * 1000  # Convert to ms
+        
+        # Add request tracking to response
+        if isinstance(results, dict):
+            results['request_metadata'] = {
+                'request_id': request_id,
+                'filename': filename,
+                'analysis_count': analysis_count,
+                'processing_time_ms': request_time
+            }
+        
+        # Return with anti-caching headers
+        return JSONResponse(
+            content=results,
+            headers={
+                'Cache-Control': 'no-cache, no-store, must-revalidate, private',
+                'Pragma': 'no-cache',
+                'Expires': '0',
+                'X-Request-ID': str(request_id),
+            }
+        )
+        
+    except Exception as e:
+        return JSONResponse(
+            status_code=500,
+            content={"error": f"Prediction failed: {str(e)}"}
+        )
+
+
+# Static files and SPA support
+frontend_dist = Path(__file__).parent.parent / "frontend" / "dist"
+
+if frontend_dist.exists():
+    # Mount static assets
+    app.mount("/assets", StaticFiles(directory=str(frontend_dist / "assets")), name="assets")
+    
+    # Catch-all route for React Router (SPA)
+    @app.get("/{path:path}")
+    async def serve_spa(path: str):
+        """Serve React SPA"""
+        # Check if file exists in dist
+        file_path = frontend_dist / path
+        if file_path.is_file():
+            return FileResponse(file_path)
+        # Otherwise serve index.html for client-side routing
+        return FileResponse(frontend_dist / "index.html")
+else:
+    @app.get("/")
+    async def root():
+        return {"message": "Frontend not built. Run 'npm run build' in frontend/"}