Initial commit: NX OptiMaster project structure

- Set up Python package structure with pyproject.toml - Created MCP server, optimization engine, and NX journals modules - Added configuration templates - Implemented pluggable result extractor architecture - Comprehensive README with architecture overview - Project ready for GitHub push 🤖 Generated with [Claude Code](https://claude.com/claude-code) Co-Authored-By: Claude <noreply@anthropic.com>
2025-11-15 07:56:35 -05:00
commit aa3dafbe4b
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--- a/.gitignore
+++ b/.gitignore
@@ -0,0 +1,82 @@
+# Python
+__pycache__/
+*.py[cod]
+*$py.class
+*.so
+.Python
+build/
+develop-eggs/
+dist/
+downloads/
+eggs/
+.eggs/
+lib/
+lib64/
+parts/
+sdist/
+var/
+wheels/
+*.egg-info/
+.installed.cfg
+*.egg
+MANIFEST
+.pytest_cache/
+.coverage
+htmlcov/
+*.cover
+.hypothesis/
+
+# Virtual Environment
+venv/
+ENV/
+env/
+.venv
+
+# IDEs
+.vscode/
+.idea/
+*.swp
+*.swo
+*~
+.DS_Store
+
+# NX/FEA Files
+*.op2
+*.f06
+*.f04
+*.xdb
+*.log
+*.diag
+*.pch
+*.master
+*.dball
+*.ldra
+*.sdb
+*.sim.bak
+*.prt.bak
+
+# Optimization Results
+optuna_study.db
+optuna_study.db-journal
+history.csv
+history.bak
+next.exp
+RMS_log.csv
+archives/
+temp/
+*.tmp
+
+# Node modules (for dashboard)
+node_modules/
+.npm
+.cache
+dist/
+build/
+
+# Environment variables
+.env
+.env.local
+
+# OS
+Thumbs.db
+desktop.ini
--- a/12
+++ b/12
@@ -0,0 +1,12 @@
+Proprietary License
+
+Copyright (c) 2025 Atomaste
+
+All rights reserved.
+
+This software and associated documentation files (the "Software") are the proprietary
+property of Atomaste. Unauthorized copying, modification, distribution, or use of this
+Software, via any medium, is strictly prohibited without prior written permission from
+Atomaste.
+
+For licensing inquiries, please contact: contact@atomaste.com
--- a/README.md
+++ b/README.md
@@ -0,0 +1,249 @@
+# NX OptiMaster
+
+> Advanced optimization platform for Siemens NX Simcenter with LLM-powered configuration
+
+[![Python 3.10+](https://img.shields.io/badge/python-3.10+-blue.svg)](https://www.python.org/downloads/)
+[![License](https://img.shields.io/badge/license-Proprietary-red.svg)](LICENSE)
+[![Status](https://img.shields.io/badge/status-alpha-yellow.svg)](https://github.com)
+
+## Overview
+
+NX OptiMaster is a next-generation optimization framework for Siemens NX that combines:
+
+- **LLM-Driven Configuration**: Use natural language to set up complex optimizations
+- **Advanced Algorithms**: Optuna-powered TPE, Gaussian Process surrogates, multi-fidelity optimization
+- **Real-Time Monitoring**: Interactive dashboards with live updates
+- **Flexible Architecture**: Pluggable result extractors for any FEA analysis type
+- **MCP Integration**: Extensible via Model Context Protocol
+
+## Architecture
+
+```
+┌─────────────────────────────────────────────────────────┐
+│                 UI Layer                                │
+│  Web Dashboard (React) + LLM Chat Interface (MCP)       │
+└─────────────────────────────────────────────────────────┘
+                          ↕
+┌─────────────────────────────────────────────────────────┐
+│                 MCP Server                              │
+│  - Model Discovery     - Config Builder                 │
+│  - Optimizer Control   - Result Analyzer                │
+└─────────────────────────────────────────────────────────┘
+                          ↕
+┌─────────────────────────────────────────────────────────┐
+│           Execution Layer                               │
+│  NX Core (NXOpen) + Optuna Engine + Custom Scripts      │
+└─────────────────────────────────────────────────────────┘
+```
+
+## Quick Start
+
+### Prerequisites
+
+- **Siemens NX 2306+** with NX Nastran solver
+- **Python 3.10+** (recommend Anaconda)
+- **Node.js 18+** (for dashboard frontend)
+
+### Installation
+
+1. **Clone the repository**:
+   ```bash
+   git clone https://github.com/atomaste/nx-optimaster.git
+   cd nx-optimaster
+   ```
+
+2. **Create Python environment**:
+   ```bash
+   conda create -n nx-optimaster python=3.10
+   conda activate nx-optimaster
+   ```
+
+3. **Install dependencies**:
+   ```bash
+   pip install -e .
+   # For development tools:
+   pip install -e ".[dev]"
+   # For MCP server:
+   pip install -e ".[mcp]"
+   ```
+
+4. **Configure NX path** (edit `config/nx_config.json`):
+   ```json
+   {
+     "nx_executable": "C:/Program Files/Siemens/NX2306/NXBIN/ugraf.exe",
+     "python_env": "C:/Users/YourName/anaconda3/envs/nx-optimaster/python.exe"
+   }
+   ```
+
+### Basic Usage
+
+#### 1. Conversational Setup (via MCP)
+
+```
+You: My FEA is in C:\Projects\Bracket\analysis.sim, please import its features.
+
+AI: I've analyzed your model:
+    - Solution: Static Analysis (NX Nastran)
+    - Expressions: wall_thickness (5mm), hole_diameter (10mm)
+    - Mesh: 8234 nodes, 4521 elements
+
+    Which parameters would you like to optimize?
+
+You: Optimize wall_thickness and hole_diameter to minimize max stress while keeping mass low.
+
+AI: Configuration created! Ready to start optimization with 100 iterations.
+    Would you like to review the config or start now?
+
+You: Start it!
+
+AI: Optimization launched! 🚀
+    Dashboard: http://localhost:8080/dashboard
+```
+
+#### 2. Manual Configuration (JSON)
+
+Create `optimization_config.json`:
+
+```json
+{
+  "design_variables": {
+    "wall_thickness": {
+      "low": 3.0,
+      "high": 8.0,
+      "enabled": true
+    }
+  },
+  "objectives": {
+    "metrics": {
+      "max_stress": {
+        "weight": 10,
+        "target": 200,
+        "extractor": "nastran_stress"
+      }
+    }
+  },
+  "nx_settings": {
+    "sim_path": "C:/Projects/Bracket/analysis.sim",
+    "solution_name": "Solution 1"
+  }
+}
+```
+
+Run optimization:
+```bash
+python -m optimization_engine.run_optimizer --config optimization_config.json
+```
+
+## Features
+
+### ✨ Core Capabilities
+
+- **Multi-Objective Optimization**: Weighted sum, Pareto front analysis
+- **Smart Sampling**: TPE, Latin Hypercube, Gaussian Process surrogates
+- **Result Extraction**: Nastran (OP2/F06), NX Mass Properties, custom parsers
+- **Crash Recovery**: Automatic resume from interruptions
+- **Parallel Evaluation**: Multi-core FEA solving (coming soon)
+
+### 📊 Visualization
+
+- **Real-time progress monitoring**
+- **3D Pareto front plots** (Plotly)
+- **Parameter importance charts**
+- **Convergence history**
+- **FEA result overlays**
+
+### 🔧 Extensibility
+
+- **Pluggable result extractors**: Add custom metrics easily
+- **Custom post-processing scripts**: Python integration
+- **MCP tools**: Extend via protocol
+- **NXOpen API access**: Full NX automation
+
+## Project Structure
+
+```
+nx-optimaster/
+├── mcp_server/              # MCP server implementation
+│   ├── tools/               # MCP tool definitions
+│   ├── schemas/             # JSON schemas for validation
+│   └── prompts/             # LLM system prompts
+├── optimization_engine/     # Core optimization logic
+│   ├── result_extractors/   # Pluggable metric extractors
+│   ├── multi_optimizer.py   # Optuna integration
+│   ├── config_loader.py     # Configuration parser
+│   └── history_manager.py   # CSV/SQLite persistence
+├── nx_journals/             # NXOpen Python scripts
+│   ├── update_and_solve.py  # CAD update + solver
+│   ├── post_process.py      # Result extraction
+│   └── utils/               # Helper functions
+├── dashboard/               # Web UI
+│   ├── frontend/            # React app
+│   └── backend/             # FastAPI server
+├── tests/                   # Unit tests
+├── examples/                # Example projects
+└── docs/                    # Documentation
+
+```
+
+## Configuration Schema
+
+See [docs/configuration.md](docs/configuration.md) for full schema documentation.
+
+**Key sections**:
+- `design_variables`: Parameters to optimize
+- `objectives`: Metrics to minimize/maximize
+- `nx_settings`: NX/FEA solver configuration
+- `optimization`: Optuna sampler settings
+- `post_processing`: Result extraction pipelines
+
+## Development
+
+### Running Tests
+
+```bash
+pytest
+```
+
+### Code Formatting
+
+```bash
+black .
+ruff check .
+```
+
+### Building Documentation
+
+```bash
+cd docs
+mkdocs build
+```
+
+## Roadmap
+
+- [x] MCP server foundation
+- [x] Basic optimization engine
+- [ ] NXOpen integration
+- [ ] Web dashboard
+- [ ] Multi-fidelity optimization
+- [ ] Parallel evaluations
+- [ ] Sensitivity analysis tools
+- [ ] Export to engineering reports
+
+## Contributing
+
+This is a private repository. Contact [contact@atomaste.com](mailto:contact@atomaste.com) for access.
+
+## License
+
+Proprietary - Atomaste © 2025
+
+## Support
+
+- **Documentation**: [docs/](docs/)
+- **Examples**: [examples/](examples/)
+- **Issues**: GitHub Issues (private repository)
+- **Email**: support@atomaste.com
+
+---
+
+**Built with ❤️ by Atomaste** | Powered by Optuna, NXOpen, and Claude
--- a/config/nx_config.json.template
+++ b/config/nx_config.json.template
@@ -0,0 +1,8 @@
+{
+  "nx_executable": "C:/Program Files/Siemens/NX2306/NXBIN/ugraf.exe",
+  "python_env": "C:/Users/YourName/anaconda3/envs/nx-optimaster/python.exe",
+  "journals_dir": "./nx_journals",
+  "temp_dir": "./temp",
+  "default_timeout": 300,
+  "max_parallel_solves": 1
+}
--- a/config/optimization_config_template.json
+++ b/config/optimization_config_template.json
@@ -0,0 +1,76 @@
+{
+  "optimization": {
+    "max_iterations": 100,
+    "seed": 42,
+    "evaluate_baseline_first": true,
+    "sampler": {
+      "type": "TPE",
+      "n_startup_trials": 15,
+      "n_ei_candidates": 150,
+      "multivariate": true,
+      "gamma": 0.25,
+      "prior_weight": 1.0
+    }
+  },
+  "baseline": {
+    "parameter1": 10.0,
+    "parameter2": 20.0
+  },
+  "design_variables": {
+    "parameter1": {
+      "type": "float",
+      "low": 5.0,
+      "high": 15.0,
+      "description": "First design parameter",
+      "enabled": true
+    },
+    "parameter2": {
+      "type": "float",
+      "low": 10.0,
+      "high": 30.0,
+      "description": "Second design parameter",
+      "enabled": true
+    }
+  },
+  "objectives": {
+    "primary_strategy": "weighted_sum",
+    "direction": "minimize",
+    "metrics": {
+      "max_stress": {
+        "weight": 10,
+        "target": 200.0,
+        "description": "Maximum von Mises stress",
+        "units": "MPa",
+        "enabled": true,
+        "extractor": "nastran_stress",
+        "extractor_params": {
+          "subcase": 101,
+          "stress_type": "von_mises"
+        }
+      },
+      "mass": {
+        "weight": 1,
+        "target": 0.5,
+        "description": "Total mass",
+        "units": "kg",
+        "enabled": true,
+        "extractor": "nx_mass",
+        "extractor_params": {
+          "bodies": "all"
+        }
+      }
+    }
+  },
+  "nx_settings": {
+    "sim_path": "path/to/model.sim",
+    "solution_name": "Solution 1",
+    "post_solve_delay_s": 5,
+    "op2_timeout_s": 1800,
+    "op2_stable_s": 4
+  },
+  "post_processing": {
+    "archive_results": true,
+    "export_expressions": true,
+    "custom_scripts": []
+  }
+}
--- a/mcp_server/init.py
+++ b/mcp_server/init.py
@@ -0,0 +1,8 @@
+"""
+NX OptiMaster MCP Server
+
+Model Context Protocol server for LLM-driven NX optimization configuration.
+"""
+
+__version__ = "0.1.0"
+__author__ = "Atomaste"
--- a/mcp_server/tools/init.py
+++ b/mcp_server/tools/init.py
@@ -0,0 +1,23 @@
+"""
+MCP Tools for NX OptiMaster
+
+Available tools:
+- discover_fea_model: Analyze .sim files to extract configurable elements
+- build_optimization_config: Generate optimization config from LLM instructions
+- start_optimization: Launch optimization run
+- query_optimization_status: Get current iteration status
+- extract_results: Parse FEA result files
+- run_nx_journal: Execute NXOpen scripts
+- search_nxopen_docs: Search NXOpen API documentation
+"""
+
+from typing import Dict, Any
+
+__all__ = [
+    "discover_fea_model",
+    "build_optimization_config",
+    "start_optimization",
+    "query_optimization_status",
+    "extract_results",
+    "run_nx_journal",
+]
--- a/nx_journals/init.py
+++ b/nx_journals/init.py
@@ -0,0 +1,8 @@
+"""
+NXOpen Journal Scripts
+
+Python scripts that execute within the NX environment using NXOpen API.
+These scripts are called via subprocess from the MCP server.
+"""
+
+__version__ = "0.1.0"
--- a/optimization_engine/init.py
+++ b/optimization_engine/init.py
@@ -0,0 +1,7 @@
+"""
+NX OptiMaster Optimization Engine
+
+Core optimization logic with Optuna integration, reused and enhanced from Atomizer.
+"""
+
+__version__ = "0.1.0"
--- a/optimization_engine/result_extractors/init.py
+++ b/optimization_engine/result_extractors/init.py
@@ -0,0 +1,66 @@
+"""
+Pluggable Result Extractor System
+
+Base classes and implementations for extracting metrics from FEA results.
+"""
+
+from abc import ABC, abstractmethod
+from typing import Dict, Any, Optional
+from pathlib import Path
+
+
+class ResultExtractor(ABC):
+    """Base class for all result extractors."""
+
+    @abstractmethod
+    def extract(self, result_files: Dict[str, Path], config: Dict[str, Any]) -> Dict[str, float]:
+        """
+        Extract metrics from FEA results.
+
+        Args:
+            result_files: Dictionary mapping file types to paths (e.g., {'op2': Path(...), 'f06': Path(...)})
+            config: Extractor-specific configuration parameters
+
+        Returns:
+            Dictionary mapping metric names to values
+        """
+        pass
+
+    @property
+    @abstractmethod
+    def required_files(self) -> list[str]:
+        """List of required file types (e.g., ['op2'], ['f06'], etc.)."""
+        pass
+
+    @property
+    def name(self) -> str:
+        """Extractor name for registration."""
+        return self.__class__.__name__.replace("Extractor", "").lower()
+
+
+# Registry of available extractors
+_EXTRACTOR_REGISTRY: Dict[str, type[ResultExtractor]] = {}
+
+
+def register_extractor(extractor_class: type[ResultExtractor]) -> type[ResultExtractor]:
+    """Decorator to register an extractor."""
+    _EXTRACTOR_REGISTRY[extractor_class().name] = extractor_class
+    return extractor_class
+
+
+def get_extractor(name: str) -> Optional[type[ResultExtractor]]:
+    """Get extractor class by name."""
+    return _EXTRACTOR_REGISTRY.get(name)
+
+
+def list_extractors() -> list[str]:
+    """List all registered extractor names."""
+    return list(_EXTRACTOR_REGISTRY.keys())
+
+
+__all__ = [
+    "ResultExtractor",
+    "register_extractor",
+    "get_extractor",
+    "list_extractors",
+]
--- a/pyproject.toml
+++ b/pyproject.toml
@@ -0,0 +1,76 @@
+[project]
+name = "nx-optimaster"
+version = "0.1.0"
+description = "Advanced optimization platform for Siemens NX Simcenter with MCP integration"
+authors = [
+    {name = "Atomaste", email = "contact@atomaste.com"}
+]
+readme = "README.md"
+requires-python = ">=3.10"
+license = {text = "Proprietary"}
+
+dependencies = [
+    "optuna>=3.5.0",
+    "pandas>=2.0.0",
+    "numpy>=1.24.0",
+    "scipy>=1.10.0",
+    "scikit-learn>=1.3.0",
+    "pyNastran>=1.4.0",
+    "plotly>=5.18.0",
+    "fastapi>=0.109.0",
+    "uvicorn>=0.27.0",
+    "websockets>=12.0",
+    "pydantic>=2.5.0",
+    "python-multipart>=0.0.6",
+    "jinja2>=3.1.3",
+]
+
+[project.optional-dependencies]
+dev = [
+    "pytest>=7.4.0",
+    "pytest-cov>=4.1.0",
+    "black>=23.12.0",
+    "ruff>=0.1.0",
+    "mypy>=1.8.0",
+    "pre-commit>=3.6.0",
+]
+
+mcp = [
+    "mcp>=0.1.0",
+]
+
+dashboard = [
+    "dash>=2.14.0",
+    "dash-bootstrap-components>=1.5.0",
+]
+
+[build-system]
+requires = ["setuptools>=68.0", "wheel"]
+build-backend = "setuptools.build_meta"
+
+[tool.setuptools.packages.find]
+where = ["."]
+include = ["mcp_server*", "optimization_engine*", "nx_journals*"]
+
+[tool.black]
+line-length = 100
+target-version = ['py310']
+include = '\.pyi?$'
+
+[tool.ruff]
+line-length = 100
+select = ["E", "F", "I", "N", "W"]
+ignore = ["E501"]
+
+[tool.mypy]
+python_version = "3.10"
+warn_return_any = true
+warn_unused_configs = true
+disallow_untyped_defs = false
+
+[tool.pytest.ini_options]
+testpaths = ["tests"]
+python_files = ["test_*.py"]
+python_classes = ["Test*"]
+python_functions = ["test_*"]
+addopts = "-v --cov=mcp_server --cov=optimization_engine --cov-report=html --cov-report=term"
--- a/requirements.txt
+++ b/requirements.txt
@@ -0,0 +1,23 @@
+# Core Dependencies
+optuna>=3.5.0
+pandas>=2.0.0
+numpy>=1.24.0
+scipy>=1.10.0
+scikit-learn>=1.3.0
+pyNastran>=1.4.0
+plotly>=5.18.0
+
+# Web Framework
+fastapi>=0.109.0
+uvicorn>=0.27.0
+websockets>=12.0
+pydantic>=2.5.0
+python-multipart>=0.0.6
+jinja2>=3.1.3
+
+# Development Tools (optional)
+pytest>=7.4.0
+pytest-cov>=4.1.0
+black>=23.12.0
+ruff>=0.1.0
+mypy>=1.8.0