app.py

#!/usr/bin/env python3
"""
MaTableGPT Gradio Web Interface
================================

A web interface for the MaTableGPT MCP service.
Provides an interactive UI for table data extraction from materials science literature.

For HuggingFace Spaces deployment.
"""

import os
import json
import logging
import gradio as gr
from typing import Optional, Tuple, Dict, Any

# Configure logging
logging.basicConfig(level=logging.INFO)
logger = logging.getLogger("matablgpt-app")

# Import MCP service components
try:
    from mcp_service import (
        table_representer,
        table_to_json,
        table_splitter,
        session_manager,
        get_extractor,
        GPTExtractor
    )
    MCP_AVAILABLE = True
except ImportError as e:
    logger.warning(f"MCP service not available: {e}")
    MCP_AVAILABLE = False

# =============================================================================
# Helper Functions
# =============================================================================

def format_json_output(data: Any) -> str:
    """Format data as pretty JSON string."""
    try:
        return json.dumps(data, indent=2, ensure_ascii=False)
    except:
        return str(data)


def check_openai_config() -> Tuple[bool, str]:
    """Check if API configuration is complete (supports third-party services)."""
    # Check multiple env var names
    key = (
        os.environ.get('LLM_API_KEY', '') or 
        os.environ.get('OPENAI_API_KEY', '')
    )
    base_url = (
        os.environ.get('LLM_API_BASE', '') or 
        os.environ.get('OPENAI_API_BASE', '') or 
        os.environ.get('OPENAI_BASE_URL', '')
    )
    model = (
        os.environ.get('LLM_MODEL', '') or 
        os.environ.get('OPENAI_MODEL', '') or 
        'gpt-4-turbo-preview'
    )
    
    status_parts = []
    
    if key:
        status_parts.append(f"✅ API Key: ***{key[-4:]}")
    else:
        return False, "⚠️ API Key not configured (set LLM_API_KEY or OPENAI_API_KEY). GPT extraction will not work."
    
    if base_url:
        # Show shortened URL
        display_url = base_url if len(base_url) <= 35 else base_url[:32] + "..."
        status_parts.append(f"✅ API URL: {display_url}")
    else:
        return False, "⚠️ API Base URL not configured (set LLM_API_BASE or OPENAI_API_BASE). Required for third-party API services."
    
    status_parts.append(f"✅ Model: {model}")
    
    return True, " | ".join(status_parts)


def check_openai_key() -> Tuple[bool, str]:
    """Legacy function - redirects to check_openai_config."""
    return check_openai_config()


# =============================================================================
# Gradio Interface Functions
# =============================================================================

def convert_html_to_tsv(html_input: str, title: str, caption: str) -> str:
    """Convert HTML table to TSV representation."""
    if not MCP_AVAILABLE:
        return "Error: MCP service not available"
    
    if not html_input.strip():
        return "Error: Please provide HTML table input"
    
    try:
        result = table_representer.html_to_tsv(html_input, title, caption)
        return result
    except Exception as e:
        return f"Error: {str(e)}"


def convert_html_to_json(html_input: str, title: str, caption: str) -> str:
    """Convert HTML table to JSON representation."""
    if not MCP_AVAILABLE:
        return "Error: MCP service not available"
    
    if not html_input.strip():
        return "Error: Please provide HTML table input"
    
    try:
        result = table_to_json.html_to_json(html_input, title, caption)
        return format_json_output(result)
    except Exception as e:
        return f"Error: {str(e)}"


def analyze_table(html_input: str) -> str:
    """Analyze HTML table structure."""
    if not MCP_AVAILABLE:
        return "Error: MCP service not available"
    
    if not html_input.strip():
        return "Error: Please provide HTML table input"
    
    try:
        result = table_splitter.analyze_table_structure(html_input)
        return format_json_output(result)
    except Exception as e:
        return f"Error: {str(e)}"


def split_table(html_input: str, title: str, caption: str) -> str:
    """Split complex table into simpler components."""
    if not MCP_AVAILABLE:
        return "Error: MCP service not available"
    
    if not html_input.strip():
        return "Error: Please provide HTML table input"
    
    try:
        result = table_splitter.split_table(html_input, title, caption)
        return format_json_output({
            "table_count": len(result),
            "tables": result
        })
    except Exception as e:
        return f"Error: {str(e)}"


def extract_zero_shot(table_repr: str) -> str:
    """Extract catalyst data using zero-shot approach."""
    if not MCP_AVAILABLE:
        return "Error: MCP service not available"
    
    if not table_repr.strip():
        return "Error: Please provide table representation"
    
    has_key, key_status = check_openai_key()
    if not has_key:
        return f"Error: {key_status}"
    
    try:
        extractor = get_extractor()
        result = extractor.extract_zero_shot(table_repr)
        return format_json_output(result)
    except Exception as e:
        return f"Error: {str(e)}"


def extract_few_shot(table_repr: str, examples_json: str) -> str:
    """Extract catalyst data using few-shot approach."""
    if not MCP_AVAILABLE:
        return "Error: MCP service not available"
    
    if not table_repr.strip():
        return "Error: Please provide table representation"
    
    has_key, key_status = check_openai_key()
    if not has_key:
        return f"Error: {key_status}"
    
    try:
        examples = json.loads(examples_json) if examples_json.strip() else []
        extractor = get_extractor()
        result = extractor.extract_few_shot(table_repr, examples)
        return format_json_output(result)
    except json.JSONDecodeError:
        return "Error: Invalid examples JSON format"
    except Exception as e:
        return f"Error: {str(e)}"


def validate_extraction(extraction_json: str) -> str:
    """Validate extraction result."""
    if not extraction_json.strip():
        return "Error: Please provide extraction JSON"
    
    try:
        extraction = json.loads(extraction_json)
    except json.JSONDecodeError:
        return "Error: Invalid JSON format"
    
    issues = []
    warnings = []
    
    if not isinstance(extraction, dict):
        return format_json_output({"valid": False, "issues": ["Extraction must be a dictionary"]})
    
    if "error" in extraction:
        issues.append(f"Extraction contains error: {extraction['error']}")
    
    valid_performance_types = set(GPTExtractor.PERFORMANCE_LIST)
    
    for catalyst_name, performances in extraction.items():
        if catalyst_name in ["error", "raw_response", "catalysts"]:
            continue
        
        if not isinstance(performances, dict):
            warnings.append(f"Catalyst '{catalyst_name}' should have dict of performances")
            continue
        
        for perf_name, properties in performances.items():
            if perf_name not in valid_performance_types:
                warnings.append(f"Unknown performance type: {perf_name}")
            
            if isinstance(properties, dict):
                for prop_key in properties.keys():
                    if prop_key not in GPTExtractor.PROPERTY_TEMPLATE:
                        warnings.append(f"Unknown property key: {prop_key}")
    
    return format_json_output({
        "valid": len(issues) == 0,
        "issues": issues,
        "warnings": warnings
    })


def get_performance_types() -> str:
    """Get list of supported performance types."""
    return format_json_output({
        "performance_types": GPTExtractor.PERFORMANCE_LIST,
        "property_template": GPTExtractor.PROPERTY_TEMPLATE
    })


def get_code_template(repr_format: str, model_type: str) -> str:
    """Generate code template for local extraction."""
    code = f'''"""
MaTableGPT Local Extraction Template
Model Type: {model_type}
Representation Format: {repr_format}
"""

from openai import OpenAI
import json

# Initialize client
client = OpenAI(api_key="YOUR_API_KEY")

# Performance types to extract
PERFORMANCE_LIST = [
    'overpotential', 'tafel_slope', 'Rct', 'stability', 'Cdl', 
    'onset_potential', 'current_density', 'potential', 'TOF', 'ECSA',
    'water_splitting_potential', 'mass_activity', 'exchange_current_density',
    'Rs', 'specific_activity', 'onset_overpotential', 'BET', 'surface_area',
    'loading', 'apparent_activation_energy'
]

# Your table representation
table_representation = """
# Paste your {repr_format.upper()} representation here
"""

# System prompt
system_prompt = """I will extract catalyst performance information from the table and create JSON format.
Performance types: """ + str(PERFORMANCE_LIST) + """
The JSON format will have performance within the catalyst, with elements: 
reaction type, value, electrolyte, condition, current density, versus, substrate.
Output must contain only JSON dictionary."""

# Extract
response = client.chat.completions.create(
    model="gpt-4-turbo-preview",
    messages=[
        {{"role": "system", "content": system_prompt}},
        {{"role": "user", "content": table_representation}}
    ],
    temperature=0
)

result = response.choices[0].message.content.strip()
print(json.dumps(json.loads(result), indent=2))
'''
    return code


# =============================================================================
# Gradio UI
# =============================================================================

# Sample HTML table for demo
SAMPLE_HTML = '''<table>
  <thead>
    <tr>
      <th>Catalyst</th>
      <th>Overpotential (mV)</th>
      <th>Tafel Slope (mV/dec)</th>
      <th>Electrolyte</th>
    </tr>
  </thead>
  <tbody>
    <tr>
      <td>Pt/C</td>
      <td>280</td>
      <td>65</td>
      <td>1M KOH</td>
    </tr>
    <tr>
      <td>NiFe-LDH</td>
      <td>230</td>
      <td>45</td>
      <td>1M KOH</td>
    </tr>
    <tr>
      <td>Co3O4</td>
      <td>350</td>
      <td>78</td>
      <td>1M KOH</td>
    </tr>
  </tbody>
</table>'''


def create_ui():
    """Create Gradio interface."""
    
    # Check status
    has_key, key_status = check_openai_key()
    status_color = "green" if has_key else "orange"
    
    with gr.Blocks(
        title="MaTableGPT - Table Data Extractor",
        theme="soft"
    ) as app:
        
        gr.Markdown("""
        # 🔬 MaTableGPT - Table Data Extractor
        
        **Extract structured catalyst performance data from HTML tables in materials science literature**
        
        This tool uses GPT models to convert complex HTML tables into structured JSON data with 
        catalyst names, performance metrics (overpotential, Tafel slope, etc.), and associated properties.
        """)
        
        gr.Markdown(f"**Status:** <span style='color:{status_color}'>{key_status}</span>")
        
        with gr.Tabs():
            # Tab 1: Table Representation
            with gr.TabItem("📋 Table Representation"):
                gr.Markdown("### Convert HTML tables to TSV or JSON format")
                
                with gr.Row():
                    with gr.Column():
                        html_input = gr.Textbox(
                            label="HTML Table Input",
                            placeholder="Paste your HTML table here...",
                            lines=15,
                            value=SAMPLE_HTML
                        )
                        title_input = gr.Textbox(
                            label="Table Title (optional)",
                            placeholder="e.g., Table 1: OER Catalyst Performance"
                        )
                        caption_input = gr.Textbox(
                            label="Table Caption (optional)",
                            placeholder="e.g., Performance measured at 10 mA/cm²"
                        )
                        
                        with gr.Row():
                            tsv_btn = gr.Button("Convert to TSV", variant="primary")
                            json_btn = gr.Button("Convert to JSON", variant="primary")
                    
                    with gr.Column():
                        repr_output = gr.Textbox(
                            label="Representation Output",
                            lines=20,
                            show_copy_button=True
                        )
                
                tsv_btn.click(
                    convert_html_to_tsv,
                    inputs=[html_input, title_input, caption_input],
                    outputs=repr_output
                )
                json_btn.click(
                    convert_html_to_json,
                    inputs=[html_input, title_input, caption_input],
                    outputs=repr_output
                )
            
            # Tab 2: Table Analysis & Splitting
            with gr.TabItem("🔍 Table Analysis"):
                gr.Markdown("### Analyze and split complex tables")
                
                with gr.Row():
                    with gr.Column():
                        html_analyze = gr.Textbox(
                            label="HTML Table Input",
                            placeholder="Paste your HTML table here...",
                            lines=10,
                            value=SAMPLE_HTML
                        )
                        
                        with gr.Row():
                            analyze_btn = gr.Button("Analyze Structure", variant="secondary")
                            split_btn = gr.Button("Split Table", variant="secondary")
                    
                    with gr.Column():
                        analysis_output = gr.Textbox(
                            label="Analysis Result",
                            lines=15,
                            show_copy_button=True
                        )
                
                analyze_btn.click(
                    analyze_table,
                    inputs=html_analyze,
                    outputs=analysis_output
                )
                split_btn.click(
                    split_table,
                    inputs=[html_analyze, title_input, caption_input],
                    outputs=analysis_output
                )
            
            # Tab 3: GPT Extraction
            with gr.TabItem("🤖 GPT Extraction"):
                gr.Markdown("### Extract catalyst data using GPT models")
                
                if not has_key:
                    gr.Markdown("""
                    ⚠️ **OpenAI API Key Required**
                    
                    Set the `OPENAI_API_KEY` environment variable to enable GPT extraction.
                    """)
                
                with gr.Row():
                    with gr.Column():
                        table_repr_input = gr.Textbox(
                            label="Table Representation (TSV or JSON)",
                            placeholder="Paste your table representation here...",
                            lines=10
                        )
                        
                        extraction_method = gr.Radio(
                            ["Zero-shot", "Few-shot"],
                            label="Extraction Method",
                            value="Zero-shot"
                        )
                        
                        examples_input = gr.Textbox(
                            label="Examples (for Few-shot, JSON format)",
                            placeholder='[{"input": "...", "output": "..."}]',
                            lines=5,
                            visible=False
                        )
                        
                        extract_btn = gr.Button("Extract Catalyst Data", variant="primary")
                    
                    with gr.Column():
                        extraction_output = gr.Textbox(
                            label="Extraction Result",
                            lines=20,
                            show_copy_button=True
                        )
                
                def update_examples_visibility(method):
                    return gr.update(visible=(method == "Few-shot"))
                
                extraction_method.change(
                    update_examples_visibility,
                    inputs=extraction_method,
                    outputs=examples_input
                )
                
                def extract_data(table_repr, method, examples):
                    if method == "Zero-shot":
                        return extract_zero_shot(table_repr)
                    else:
                        return extract_few_shot(table_repr, examples)
                
                extract_btn.click(
                    extract_data,
                    inputs=[table_repr_input, extraction_method, examples_input],
                    outputs=extraction_output
                )
            
            # Tab 4: Validation
            with gr.TabItem("✅ Validation"):
                gr.Markdown("### Validate extraction results")
                
                with gr.Row():
                    with gr.Column():
                        validation_input = gr.Textbox(
                            label="Extraction JSON to Validate",
                            placeholder="Paste extraction JSON here...",
                            lines=15
                        )
                        validate_btn = gr.Button("Validate", variant="secondary")
                    
                    with gr.Column():
                        validation_output = gr.Textbox(
                            label="Validation Result",
                            lines=10
                        )
                        
                        gr.Markdown("### Supported Performance Types")
                        perf_types = gr.Textbox(
                            label="",
                            value=get_performance_types(),
                            lines=10,
                            interactive=False
                        )
                
                validate_btn.click(
                    validate_extraction,
                    inputs=validation_input,
                    outputs=validation_output
                )
            
            # Tab 5: Code Template
            with gr.TabItem("💻 Code Template"):
                gr.Markdown("### Generate Python code for local extraction")
                
                with gr.Row():
                    repr_format = gr.Dropdown(
                        ["tsv", "json"],
                        label="Representation Format",
                        value="tsv"
                    )
                    model_type = gr.Dropdown(
                        ["zero-shot", "few-shot", "fine-tuning"],
                        label="Model Type",
                        value="zero-shot"
                    )
                
                generate_btn = gr.Button("Generate Code", variant="secondary")
                
                code_output = gr.Code(
                    label="Python Code Template",
                    language="python",
                    lines=30
                )
                
                generate_btn.click(
                    get_code_template,
                    inputs=[repr_format, model_type],
                    outputs=code_output
                )
            
            # Tab 6: About
            with gr.TabItem("ℹ️ About"):
                gr.Markdown("""
                ## About MaTableGPT
                
                MaTableGPT is a GPT-based table data extractor specifically designed for 
                materials science literature. It converts complex HTML tables containing 
                catalyst performance data into structured JSON format.
                
                ### Workflow
                
                1. **Table Representation**: Convert HTML tables to TSV or JSON format
                2. **Table Splitting** (optional): Break down complex tables with multiple headers
                3. **GPT Extraction**: Use zero-shot, few-shot, or fine-tuned models to extract data
                4. **Validation**: Verify extraction results against expected schema
                
                ### Supported Performance Types
                
                - Overpotential, Tafel slope, Rct, Stability, Cdl
                - Onset potential, Current density, Potential, TOF, ECSA
                - Water splitting potential, Mass activity, Exchange current density
                - Rs, Specific activity, Onset overpotential, BET, Surface area
                - Loading, Apparent activation energy
                
                ### MCP Integration
                
                This service is also available as an MCP (Model Context Protocol) server,
                allowing integration with AI assistants like Claude.
                
                ### Credits
                
                Based on [MaTableGPT](https://github.com/your-repo/MaTableGPT) research.
                """)
        
        gr.Markdown("---\n*MaTableGPT MCP Service - Materials Science Table Data Extraction*")
    
    return app


# =============================================================================
# Main Entry Point
# =============================================================================

def main():
    """Run the Gradio app."""
    app = create_ui()
    
    # Get port from environment or default
    port = int(os.environ.get('GRADIO_SERVER_PORT', 7860))
    
    app.launch(
        server_name="0.0.0.0",
        server_port=port,
        share=False
    )


if __name__ == "__main__":
    main()