refactor: Archive experimental LLM features for MVP stability (Phase 1.1)
Moved experimental LLM integration code to optimization_engine/future/: - llm_optimization_runner.py - Runtime LLM API runner - llm_workflow_analyzer.py - Workflow analysis - inline_code_generator.py - Auto-generate calculations - hook_generator.py - Auto-generate hooks - report_generator.py - LLM report generation - extractor_orchestrator.py - Extractor orchestration Added comprehensive optimization_engine/future/README.md explaining: - MVP LLM strategy (Claude Code skills, not runtime LLM) - Why files were archived - When to revisit post-MVP - Production architecture reference Production runner confirmed: optimization_engine/runner.py is sole active runner. This establishes clear separation between: - Production code (stable, no runtime LLM dependencies) - Experimental code (archived for post-MVP exploration) Part of Phase 1: Core Stabilization & Organization for MVP Generated with Claude Code Co-Authored-By: Claude <noreply@anthropic.com>
This commit is contained in:
@@ -1,262 +0,0 @@
|
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# Development Guide
|
||||
|
||||
## Project Setup Complete! ✅
|
||||
|
||||
Your Atomizer project has been initialized with the following structure:
|
||||
|
||||
```
|
||||
C:\Users\antoi\Documents\Atomaste\Atomizer\
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||||
├── .git/ # Git repository
|
||||
├── .gitignore # Ignore patterns
|
||||
├── LICENSE # Proprietary license
|
||||
├── README.md # Main documentation
|
||||
├── GITHUB_SETUP.md # GitHub push instructions
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||||
├── DEVELOPMENT.md # This file
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||||
├── pyproject.toml # Python package configuration
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||||
├── requirements.txt # Pip dependencies
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||||
│
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||||
├── config/ # Configuration templates
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||||
│ ├── nx_config.json.template
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│ └── optimization_config_template.json
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||||
│
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||||
├── mcp_server/ # MCP Server (Phase 1)
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||||
│ ├── __init__.py
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||||
│ ├── tools/ # MCP tool implementations
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||||
│ │ └── __init__.py
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│ ├── schemas/ # JSON schemas for validation
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||||
│ └── prompts/ # LLM system prompts
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||||
│ └── examples/ # Few-shot examples
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||||
│
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├── optimization_engine/ # Core optimization (Phase 4)
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||||
│ ├── __init__.py
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||||
│ └── result_extractors/ # Pluggable metric extractors
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│ └── __init__.py # Base classes + registry
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||||
│
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||||
├── nx_journals/ # NXOpen scripts (Phase 3)
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||||
│ ├── __init__.py
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||||
│ └── utils/ # Helper functions
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||||
│
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├── dashboard/ # Web UI (Phase 2)
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||||
│ ├── frontend/ # React app
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||||
│ └── backend/ # FastAPI server
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||||
│
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├── tests/ # Unit tests
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├── docs/ # Documentation
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||||
└── examples/ # Example projects
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||||
```
|
||||
|
||||
## Current Status: Phase 0 - Foundation ✅
|
||||
|
||||
- [x] Project structure created
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- [x] Git repository initialized
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||||
- [x] Python package configuration
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||||
- [x] License and documentation
|
||||
- [x] Initial commit ready
|
||||
|
||||
## Next Development Phases
|
||||
|
||||
### 🎯 Immediate Next Steps (Choose One)
|
||||
|
||||
#### Option A: Start with MCP Server (Recommended)
|
||||
**Goal**: Get conversational FEA model discovery working
|
||||
|
||||
1. **Implement `discover_fea_model` tool**:
|
||||
```bash
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||||
# Create the tool
|
||||
touch mcp_server/tools/model_discovery.py
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||||
```
|
||||
|
||||
- Parse .sim files to extract solutions, expressions, FEM info
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- Use existing Atomizer patterns from your P04 project
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||||
- Return structured JSON for LLM consumption
|
||||
|
||||
2. **Set up MCP server skeleton**:
|
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```bash
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# Install MCP SDK
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pip install mcp
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||||
|
||||
# Create server entry point
|
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touch mcp_server/server.py
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```
|
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|
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3. **Test with a real .sim file**:
|
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- Point it to one of your existing models
|
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- Verify it extracts expressions correctly
|
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|
||||
#### Option B: Port Atomizer Optimization Engine
|
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**Goal**: Get core optimization working independently
|
||||
|
||||
1. **Copy Atomizer modules**:
|
||||
```bash
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# From your P04/Atomizer project, copy:
|
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cp ../Projects/P04/Atomizer/code/multi_optimizer.py optimization_engine/
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cp ../Projects/P04/Atomizer/code/config_loader.py optimization_engine/
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cp ../Projects/P04/Atomizer/code/surrogate_optimizer.py optimization_engine/
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```
|
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|
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2. **Adapt for general use**:
|
||||
- Remove Zernike-specific code
|
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- Generalize result extraction to use plugin system
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||||
- Update import paths
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||||
|
||||
3. **Create a simple test**:
|
||||
```python
|
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# tests/test_optimizer.py
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def test_basic_optimization():
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config = load_config("config/optimization_config_template.json")
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||||
optimizer = MultiParameterOptimizer(config)
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||||
# ...
|
||||
```
|
||||
|
||||
#### Option C: Build Dashboard First
|
||||
**Goal**: Get real-time monitoring UI working
|
||||
|
||||
1. **Set up React frontend**:
|
||||
```bash
|
||||
cd dashboard/frontend
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||||
npx create-react-app . --template typescript
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||||
npm install plotly.js recharts
|
||||
```
|
||||
|
||||
2. **Set up FastAPI backend**:
|
||||
```bash
|
||||
cd dashboard/backend
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||||
touch server.py
|
||||
# Implement WebSocket endpoint for live updates
|
||||
```
|
||||
|
||||
3. **Create mock data endpoint**:
|
||||
- Serve fake optimization history
|
||||
- Test plots and visualizations
|
||||
|
||||
## Recommended Workflow: Iterative Development
|
||||
|
||||
### Week 1: MCP + Model Discovery
|
||||
- Implement `discover_fea_model` tool
|
||||
- Test with real .sim files
|
||||
- Get LLM integration working
|
||||
|
||||
### Week 2: Optimization Engine Port
|
||||
- Copy and adapt Atomizer core modules
|
||||
- Create pluggable result extractors
|
||||
- Test with simple optimization
|
||||
|
||||
### Week 3: NXOpen Bridge
|
||||
- Build file-based communication
|
||||
- Create generic journal dispatcher
|
||||
- Test expression updates
|
||||
|
||||
### Week 4: Dashboard MVP
|
||||
- React frontend skeleton
|
||||
- FastAPI backend with WebSocket
|
||||
- Real-time iteration monitoring
|
||||
|
||||
## Development Commands
|
||||
|
||||
### Python Environment
|
||||
|
||||
```bash
|
||||
# Create conda environment
|
||||
conda create -n atomizer python=3.10
|
||||
conda activate atomizer
|
||||
|
||||
# Install in development mode
|
||||
pip install -e .
|
||||
|
||||
# Install dev dependencies
|
||||
pip install -e ".[dev]"
|
||||
```
|
||||
|
||||
### Testing
|
||||
|
||||
```bash
|
||||
# Run all tests
|
||||
pytest
|
||||
|
||||
# With coverage
|
||||
pytest --cov=mcp_server --cov=optimization_engine
|
||||
|
||||
# Run specific test
|
||||
pytest tests/test_model_discovery.py -v
|
||||
```
|
||||
|
||||
### Code Quality
|
||||
|
||||
```bash
|
||||
# Format code
|
||||
black .
|
||||
|
||||
# Lint
|
||||
ruff check .
|
||||
|
||||
# Type checking
|
||||
mypy mcp_server optimization_engine
|
||||
```
|
||||
|
||||
### Git Workflow
|
||||
|
||||
```bash
|
||||
# Create feature branch
|
||||
git checkout -b feature/model-discovery
|
||||
|
||||
# Make changes, test, commit
|
||||
git add .
|
||||
git commit -m "feat: implement FEA model discovery tool"
|
||||
|
||||
# Push to GitHub
|
||||
git push -u origin feature/model-discovery
|
||||
|
||||
# Merge to main
|
||||
git checkout main
|
||||
git merge feature/model-discovery
|
||||
git push origin main
|
||||
```
|
||||
|
||||
## Integration with Existing Atomizer
|
||||
|
||||
Your existing Atomizer project is at:
|
||||
```
|
||||
C:\Users\antoi\Documents\Atomaste\Projects\P04\Atomizer\
|
||||
```
|
||||
|
||||
You can reference and copy modules from there as needed. Key files to adapt:
|
||||
|
||||
| Atomizer File | New Location | Adaptation Needed |
|
||||
|--------------|--------------|-------------------|
|
||||
| `code/multi_optimizer.py` | `optimization_engine/multi_optimizer.py` | Minimal - works as-is |
|
||||
| `code/config_loader.py` | `optimization_engine/config_loader.py` | Extend schema for extractors |
|
||||
| `code/zernike_Post_Script_NX.py` | `optimization_engine/result_extractors/zernike.py` | Convert to plugin class |
|
||||
| `code/journal_NX_Update_and_Solve.py` | `nx_journals/update_and_solve.py` | Generalize for any .sim |
|
||||
| `code/nx_post_each_iter.py` | `nx_journals/post_process.py` | Use extractor registry |
|
||||
|
||||
## Useful Resources
|
||||
|
||||
- **Optuna Docs**: https://optuna.readthedocs.io/
|
||||
- **NXOpen API**: https://docs.sw.siemens.com/en-US/doc/209349590/
|
||||
- **MCP Protocol**: https://modelcontextprotocol.io/
|
||||
- **FastAPI**: https://fastapi.tiangolo.com/
|
||||
- **React + TypeScript**: https://react-typescript-cheatsheet.netlify.app/
|
||||
|
||||
## Questions to Consider
|
||||
|
||||
Before starting development, decide on:
|
||||
|
||||
1. **Which phase to tackle first?** (MCP, Engine, Dashboard, or NXOpen)
|
||||
2. **Target NX version?** (NX 2412 | Future: multi-version support, or multi-version support)
|
||||
3. **Deployment strategy?** (Local only or client-server architecture)
|
||||
4. **Testing approach?** (Unit tests only or integration tests with real NX)
|
||||
5. **Documentation format?** (Markdown, Sphinx, MkDocs)
|
||||
|
||||
## Getting Help
|
||||
|
||||
When you're ready to start coding:
|
||||
|
||||
1. Choose a phase from the options above
|
||||
2. Tell me which component you want to build first
|
||||
3. I'll create the detailed implementation with working code
|
||||
4. We'll test it with your existing .sim files
|
||||
5. Iterate and expand
|
||||
|
||||
---
|
||||
|
||||
**You're all set!** The foundation is ready. Choose your starting point and let's build! 🚀
|
||||
@@ -1,133 +0,0 @@
|
||||
# FEM Regeneration Status
|
||||
|
||||
## Current Status: EXPRESSIONS NOT LINKED TO GEOMETRY
|
||||
|
||||
The optimization loop infrastructure is **FULLY FUNCTIONAL**, but the stress results are not changing because the parametric model is not properly configured.
|
||||
|
||||
### ✅ Working Components
|
||||
1. **Parameter updates** - Expressions in Bracket.prt ARE being updated (verified via binary edit)
|
||||
2. **NX solver** - Journal connects to NX GUI and runs solves successfully (~4s per solve)
|
||||
3. **Result extraction** - Stress and displacement ARE being read from .op2 files
|
||||
4. **History tracking** - All trials ARE being saved to history.json/csv
|
||||
5. **Optimization** - Optuna IS exploring the parameter space
|
||||
6. **FEM regeneration workflow** - Journal IS executing all required steps:
|
||||
- Opens .sim file ✅
|
||||
- Switches to Bracket.prt ✅
|
||||
- Calls `UpdateManager.DoUpdate()` to rebuild geometry ✅
|
||||
- Switches to Bracket_fem1.fem ✅
|
||||
- Calls `UpdateFemodel()` to regenerate FEM ✅
|
||||
- Solves and saves ✅
|
||||
|
||||
### ❌ Root Cause: Expressions Not Linked to Geometry Features
|
||||
|
||||
All 3 trials return the SAME stress (197.89159375 MPa) because:
|
||||
|
||||
1. Expressions (`tip_thickness=20`, `support_angle=36`) exist in Bracket.prt ✅
|
||||
2. Binary updates correctly modify these expression values ✅
|
||||
3. Journal calls `UpdateManager.DoUpdate()` to rebuild geometry ✅
|
||||
4. **BUT: No geometry features reference these expressions** ❌
|
||||
5. Therefore the CAD geometry doesn't change ❌
|
||||
6. Therefore the FEM doesn't see geometry changes ❌
|
||||
7. So the mesh stays the same, and stress doesn't change ❌
|
||||
|
||||
## Evidence
|
||||
|
||||
### Journal Output (From Test Run)
|
||||
```
|
||||
[JOURNAL] Opening simulation: C:\...\Bracket_sim1.sim
|
||||
[JOURNAL] Checking for open parts...
|
||||
[JOURNAL] Opening simulation fresh from disk...
|
||||
[JOURNAL] STEP 1: Updating Bracket.prt geometry...
|
||||
[JOURNAL] Bracket geometry updated (0 errors) ← UpdateManager.DoUpdate() ran successfully
|
||||
[JOURNAL] STEP 2: Opening Bracket_fem1.fem...
|
||||
[JOURNAL] Updating FE Model...
|
||||
[JOURNAL] FE Model updated with new geometry! ← UpdateFemodel() ran successfully
|
||||
[JOURNAL] STEP 3: Switching back to sim part...
|
||||
[JOURNAL] Switched back to sim part
|
||||
[JOURNAL] Starting solve...
|
||||
[JOURNAL] Solve submitted!
|
||||
[JOURNAL] Save complete!
|
||||
```
|
||||
|
||||
### Optimization Results (3 Trials with Different Parameters)
|
||||
```
|
||||
Trial 0: tip_thickness=23.48, support_angle=37.21 → stress=197.89 MPa
|
||||
Trial 1: tip_thickness=20.08, support_angle=20.32 → stress=197.89 MPa (SAME!)
|
||||
Trial 2: tip_thickness=18.19, support_angle=35.23 → stress=197.89 MPa (SAME!)
|
||||
```
|
||||
|
||||
### Feature Dependency Check
|
||||
Ran journal to check if any features reference the expressions:
|
||||
```
|
||||
============================================================
|
||||
CHECKING FEATURE DEPENDENCIES:
|
||||
============================================================
|
||||
(empty - no features found that reference tip_thickness or support_angle)
|
||||
```
|
||||
|
||||
## Solution Required
|
||||
|
||||
**The Bracket.prt parametric model needs to be fixed in NX:**
|
||||
|
||||
1. Open Bracket.prt in NX
|
||||
2. Find the sketches/features that define the bracket geometry
|
||||
3. Link the sketch dimensions to the expressions:
|
||||
- Find the dimension that should control tip thickness
|
||||
- Edit it to reference the expression: `=tip_thickness`
|
||||
- Find the dimension that should control support angle
|
||||
- Edit it to reference the expression: `=support_angle`
|
||||
4. Update the part to verify the links work
|
||||
5. Save Bracket.prt
|
||||
|
||||
### How to Verify the Fix
|
||||
|
||||
After linking the expressions to geometry features:
|
||||
|
||||
1. In NX, manually change `tip_thickness` from 20 to 24
|
||||
2. Update the part (Ctrl+U)
|
||||
3. **The 3D geometry should visibly change**
|
||||
4. If the geometry changes, the parametric model is now working!
|
||||
|
||||
## Test to Verify Optimization Works
|
||||
|
||||
After fixing the .prt file, run:
|
||||
```bash
|
||||
cd "C:\Users\antoi\Documents\Atomaste\Atomizer"
|
||||
echo yes | python examples/test_journal_optimization.py
|
||||
```
|
||||
|
||||
You should see **different stress values** for different parameters:
|
||||
- tip_thickness=20, support_angle=25 → stress = ??? MPa (unique value!)
|
||||
- tip_thickness=24, support_angle=35 → stress = ??? MPa (different from above!)
|
||||
|
||||
## What's Been Implemented
|
||||
|
||||
The solve_simulation.py journal now includes the COMPLETE regeneration workflow from the user's working journal (journal_with_regenerate.py):
|
||||
|
||||
```python
|
||||
# STEP 1: Switch to Bracket.prt and update geometry
|
||||
bracketPart = theSession.Parts.FindObject("Bracket")
|
||||
theSession.Parts.SetActiveDisplay(bracketPart, ...)
|
||||
markId_update = theSession.SetUndoMark(...)
|
||||
nErrs = theSession.UpdateManager.DoUpdate(markId_update) # Rebuild geometry
|
||||
|
||||
# STEP 2: Switch to Bracket_fem1 and update FE model
|
||||
femPart1 = theSession.Parts.FindObject("Bracket_fem1")
|
||||
theSession.Parts.SetActiveDisplay(femPart1, ...)
|
||||
fEModel1 = workFemPart.FindObject("FEModel")
|
||||
fEModel1.UpdateFemodel() # Regenerate FEM with new geometry
|
||||
|
||||
# STEP 3: Switch back to sim and solve
|
||||
theSession.Parts.SetActiveDisplay(simPart1, ...)
|
||||
# ... solve and save
|
||||
```
|
||||
|
||||
This workflow is CORRECT and WORKING - verified by journal output showing all steps execute successfully.
|
||||
|
||||
## Conclusion
|
||||
|
||||
**The optimization infrastructure is complete and functional.**
|
||||
|
||||
The code is ready - it's just waiting for the Bracket.prt file to have its expressions properly linked to the geometry features. Once that's done in NX, the optimization will work perfectly with varying stress results based on the design parameters.
|
||||
|
||||
**Status: Ready for parametric model fix in NX**
|
||||
@@ -1,102 +0,0 @@
|
||||
# GitHub Setup Guide
|
||||
|
||||
## Creating the Private Repository
|
||||
|
||||
1. **Go to GitHub**: https://github.com/new
|
||||
|
||||
2. **Repository Settings**:
|
||||
- **Owner**: `Anto01`
|
||||
- **Repository name**: `Atomizer`
|
||||
- **Description**: "Advanced optimization platform for Siemens NX Simcenter with LLM integration"
|
||||
- **Visibility**: ✅ **Private**
|
||||
- **DO NOT** initialize with README, .gitignore, or license (we already have these)
|
||||
|
||||
3. **Click "Create repository"**
|
||||
|
||||
## Pushing to GitHub
|
||||
|
||||
After creating the repository on GitHub, run these commands:
|
||||
|
||||
```bash
|
||||
cd /c/Users/antoi/Documents/Atomaste/Atomizer
|
||||
|
||||
# Add the remote repository
|
||||
git remote add origin https://github.com/Anto01/Atomizer.git
|
||||
|
||||
# OR if using SSH:
|
||||
# git remote add origin git@github.com:Anto01/Atomizer.git
|
||||
|
||||
# Push the initial commit
|
||||
git branch -M main
|
||||
git push -u origin main
|
||||
```
|
||||
|
||||
## Verify Push
|
||||
|
||||
Visit your repository at: `https://github.com/Anto01/Atomizer`
|
||||
|
||||
You should see:
|
||||
- README.md displayed on the main page
|
||||
- All files committed
|
||||
- Private repository badge
|
||||
|
||||
## Next Steps
|
||||
|
||||
### Set Up GitHub Actions (Optional)
|
||||
|
||||
Create `.github/workflows/tests.yml` for automated testing:
|
||||
|
||||
```yaml
|
||||
name: Tests
|
||||
|
||||
on: [push, pull_request]
|
||||
|
||||
jobs:
|
||||
test:
|
||||
runs-on: windows-latest
|
||||
steps:
|
||||
- uses: actions/checkout@v3
|
||||
- uses: actions/setup-python@v4
|
||||
with:
|
||||
python-version: '3.10'
|
||||
- run: pip install -r requirements.txt
|
||||
- run: pytest
|
||||
```
|
||||
|
||||
### Protect Main Branch
|
||||
|
||||
Settings → Branches → Add rule:
|
||||
- Branch name pattern: `main`
|
||||
- ✅ Require pull request reviews before merging
|
||||
- ✅ Require status checks to pass
|
||||
|
||||
### Add Collaborators
|
||||
|
||||
Settings → Collaborators → Add people
|
||||
|
||||
## Clone on Another Machine
|
||||
|
||||
```bash
|
||||
git clone https://github.com/Anto01/Atomizer.git
|
||||
cd Atomizer
|
||||
pip install -r requirements.txt
|
||||
```
|
||||
|
||||
## Useful Git Commands
|
||||
|
||||
```bash
|
||||
# Check status
|
||||
git status
|
||||
|
||||
# View commit history
|
||||
git log --oneline
|
||||
|
||||
# Create a new branch
|
||||
git checkout -b feature/new-feature
|
||||
|
||||
# Push branch to GitHub
|
||||
git push -u origin feature/new-feature
|
||||
|
||||
# Pull latest changes
|
||||
git pull origin main
|
||||
```
|
||||
@@ -1,294 +0,0 @@
|
||||
# NX Solver Integration Guide
|
||||
|
||||
## Overview
|
||||
|
||||
The NX solver integration allows Atomizer to automatically run Siemens NX Nastran simulations in batch mode during optimization loops.
|
||||
|
||||
## Architecture
|
||||
|
||||
```
|
||||
Optimization Loop:
|
||||
1. Update parameters in .prt file → nx_updater.py
|
||||
2. Run NX solver in batch mode → nx_solver.py ← NEW!
|
||||
3. Extract results from OP2 → op2_extractor_example.py
|
||||
4. Evaluate objectives/constraints → runner.py
|
||||
5. Optuna suggests next parameters → repeat
|
||||
```
|
||||
|
||||
## Quick Start
|
||||
|
||||
### Test 1: Verify Solver Integration
|
||||
|
||||
```bash
|
||||
conda activate test_env
|
||||
python examples/test_nx_solver.py
|
||||
```
|
||||
|
||||
This tests:
|
||||
- NX installation detection
|
||||
- Batch solver execution
|
||||
- OP2 file generation
|
||||
- Error handling
|
||||
|
||||
**Expected**: Solver runs and produces .op2 file in ~1-2 minutes
|
||||
|
||||
### Test 2: Run Optimization with Real Solver
|
||||
|
||||
```bash
|
||||
conda activate test_env
|
||||
python examples/test_optimization_with_solver.py
|
||||
```
|
||||
|
||||
This runs 3 optimization trials with REAL simulations!
|
||||
|
||||
**Expected time**: ~5-10 minutes (depends on model complexity)
|
||||
|
||||
## Usage in Your Code
|
||||
|
||||
### Simple Usage (Convenience Function)
|
||||
|
||||
```python
|
||||
from optimization_engine.nx_solver import run_nx_simulation
|
||||
from pathlib import Path
|
||||
|
||||
sim_file = Path("path/to/model.sim")
|
||||
op2_file = run_nx_simulation(
|
||||
sim_file=sim_file,
|
||||
nastran_version="2412",
|
||||
timeout=600, # 10 minutes
|
||||
cleanup=True # Remove temp files
|
||||
)
|
||||
|
||||
# op2_file now contains path to results
|
||||
```
|
||||
|
||||
### Advanced Usage (Full Control)
|
||||
|
||||
```python
|
||||
from optimization_engine.nx_solver import NXSolver
|
||||
|
||||
solver = NXSolver(
|
||||
nastran_version="2412",
|
||||
timeout=600
|
||||
)
|
||||
|
||||
result = solver.run_simulation(
|
||||
sim_file=sim_file,
|
||||
working_dir=None, # Defaults to sim file directory
|
||||
cleanup=True
|
||||
)
|
||||
|
||||
if result['success']:
|
||||
print(f"OP2: {result['op2_file']}")
|
||||
print(f"Time: {result['elapsed_time']:.1f}s")
|
||||
else:
|
||||
print(f"Errors: {result['errors']}")
|
||||
```
|
||||
|
||||
### Integration with Optimization Runner
|
||||
|
||||
```python
|
||||
from optimization_engine.nx_solver import run_nx_simulation
|
||||
|
||||
def my_simulation_runner() -> Path:
|
||||
"""Simulation runner for optimization."""
|
||||
sim_file = Path("my_model.sim")
|
||||
|
||||
# Run solver
|
||||
op2_file = run_nx_simulation(
|
||||
sim_file=sim_file,
|
||||
nastran_version="2412",
|
||||
timeout=600,
|
||||
cleanup=True
|
||||
)
|
||||
|
||||
return op2_file
|
||||
|
||||
# Use in OptimizationRunner
|
||||
runner = OptimizationRunner(
|
||||
config_path=config_path,
|
||||
model_updater=my_model_updater,
|
||||
simulation_runner=my_simulation_runner, # Uses real solver!
|
||||
result_extractors=extractors
|
||||
)
|
||||
```
|
||||
|
||||
## Configuration
|
||||
|
||||
### Auto-Detection
|
||||
|
||||
By default, NXSolver auto-detects NX installation:
|
||||
|
||||
```python
|
||||
solver = NXSolver(nastran_version="2412")
|
||||
# Searches:
|
||||
# - C:/Program Files/Siemens/NX2412
|
||||
# - C:/Program Files/Siemens/NX2412
|
||||
# - C:/Program Files (x86)/Siemens/NX2412
|
||||
```
|
||||
|
||||
### Manual Configuration
|
||||
|
||||
```python
|
||||
from pathlib import Path
|
||||
|
||||
solver = NXSolver(
|
||||
nx_install_dir=Path("C:/Program Files/Siemens/NX2412"),
|
||||
nastran_version="2412",
|
||||
timeout=1200 # 20 minutes
|
||||
)
|
||||
```
|
||||
|
||||
## Solver Output Files
|
||||
|
||||
### Files Created
|
||||
- `model.op2` - Binary results (kept)
|
||||
- `model.f06` - Text output (kept)
|
||||
- `model.log` - Solver log (kept)
|
||||
- `model.f04` - Intermediate (cleaned up)
|
||||
- `model.dat` - Intermediate (cleaned up)
|
||||
- `model.diag` - Diagnostic (cleaned up)
|
||||
|
||||
### Cleanup Behavior
|
||||
|
||||
With `cleanup=True` (recommended):
|
||||
- Keeps: .op2, .f06, .log
|
||||
- Removes: .f04, .dat, .diag, .master, .dball, plots
|
||||
|
||||
With `cleanup=False`:
|
||||
- Keeps all files for debugging
|
||||
|
||||
## Error Handling
|
||||
|
||||
### Common Issues
|
||||
|
||||
**Issue**: `FileNotFoundError: NX Nastran solver not found`
|
||||
|
||||
**Solution**:
|
||||
- Check NX is installed at standard location
|
||||
- Specify `nx_install_dir` manually
|
||||
- Verify nastran.exe exists in NXNASTRAN/bin/
|
||||
|
||||
**Issue**: `RuntimeError: NX simulation failed`
|
||||
|
||||
**Solution**:
|
||||
- Check .f06 file for error messages
|
||||
- Verify .sim file is valid
|
||||
- Check NX license is available
|
||||
- Ensure model can solve in NX GUI first
|
||||
|
||||
**Issue**: `TimeoutExpired`
|
||||
|
||||
**Solution**:
|
||||
- Increase `timeout` parameter
|
||||
- Simplify model (fewer elements, linear analysis)
|
||||
- Check solver isn't stuck (memory issues)
|
||||
|
||||
### Checking Solver Success
|
||||
|
||||
The solver checks for completion by:
|
||||
1. Looking for "NORMAL TERMINATION" in .f06
|
||||
2. Checking for "FATAL MESSAGE" errors
|
||||
3. Verifying .op2 file was created recently
|
||||
|
||||
## Performance Tips
|
||||
|
||||
### Speed Up Optimization
|
||||
|
||||
1. **Reduce Model Complexity**
|
||||
- Use coarser mesh for initial exploration
|
||||
- Simplify geometry in non-critical areas
|
||||
- Use linear analysis if possible
|
||||
|
||||
2. **Parallel Trials (Future)**
|
||||
- Run multiple trials simultaneously
|
||||
- Requires separate working directories
|
||||
- Use Optuna's parallelization features
|
||||
|
||||
3. **Smart Sampling**
|
||||
- Use TPE sampler (default) for efficiency
|
||||
- Increase `n_startup_trials` for better initial sampling
|
||||
- Use constraints to avoid infeasible regions
|
||||
|
||||
4. **Cleanup Strategy**
|
||||
- Use `cleanup=True` to save disk space
|
||||
- Only keep .op2 and .log files
|
||||
- Archive results after optimization
|
||||
|
||||
### Typical Solve Times
|
||||
|
||||
| Model Size | Analysis Type | Time per Trial |
|
||||
|------------|---------------|----------------|
|
||||
| Small (<10k nodes) | Linear Static | 30-60s |
|
||||
| Medium (10-50k) | Linear Static | 1-3 min |
|
||||
| Large (>50k) | Linear Static | 3-10 min |
|
||||
| Any | Nonlinear | 5-30 min |
|
||||
|
||||
## Batch Processing
|
||||
|
||||
For running many optimizations:
|
||||
|
||||
```python
|
||||
# Save solver instance to reuse
|
||||
solver = NXSolver(nastran_version="2412", timeout=600)
|
||||
|
||||
for trial_params in parameter_sets:
|
||||
# Update model
|
||||
update_nx_model(prt_file, trial_params)
|
||||
|
||||
# Solve
|
||||
result = solver.run_simulation(sim_file, cleanup=True)
|
||||
|
||||
if result['success']:
|
||||
# Extract and analyze
|
||||
results = extract_all_results(result['op2_file'])
|
||||
```
|
||||
|
||||
## Troubleshooting
|
||||
|
||||
### Enable Debug Output
|
||||
|
||||
```python
|
||||
solver = NXSolver(nastran_version="2412")
|
||||
|
||||
result = solver.run_simulation(
|
||||
sim_file=sim_file,
|
||||
cleanup=False # Keep all files
|
||||
)
|
||||
|
||||
# Check detailed output
|
||||
print(result['errors'])
|
||||
|
||||
# Manually inspect files
|
||||
# - Check .f06 for solver messages
|
||||
# - Check .log for execution details
|
||||
# - Check .f04 for input deck
|
||||
```
|
||||
|
||||
### Verify NX Installation
|
||||
|
||||
```python
|
||||
from optimization_engine.nx_solver import NXSolver
|
||||
|
||||
solver = NXSolver(nastran_version="2412")
|
||||
print(f"NX Dir: {solver.nx_install_dir}")
|
||||
print(f"Solver: {solver.solver_exe}")
|
||||
print(f"Exists: {solver.solver_exe.exists()}")
|
||||
```
|
||||
|
||||
## Next Steps
|
||||
|
||||
1. **Test solver integration**: Run `test_nx_solver.py`
|
||||
2. **Test optimization loop**: Run `test_optimization_with_solver.py`
|
||||
3. **Customize for your model**: Modify simulation_runner function
|
||||
4. **Run real optimization**: Increase n_trials to 50-150
|
||||
5. **Analyze results**: Use history.csv to understand parameter sensitivity
|
||||
|
||||
## Support
|
||||
|
||||
For issues:
|
||||
1. Check this guide
|
||||
2. Verify NX installation
|
||||
3. Test .sim file in NX GUI first
|
||||
4. Check solver logs (.f06, .log files)
|
||||
5. Review error messages in result['errors']
|
||||
@@ -1,474 +0,0 @@
|
||||
# Atomizer - Project Summary
|
||||
|
||||
**Last Updated**: 2025-11-15
|
||||
**Repository**: https://github.com/Anto01/Atomizer (Private)
|
||||
**Branch**: main (5 commits)
|
||||
|
||||
---
|
||||
|
||||
## 🎯 Project Vision
|
||||
|
||||
Atomizer is an advanced optimization platform for Siemens NX Simcenter that combines:
|
||||
- **LLM-driven configuration** via conversational interface (MCP)
|
||||
- **Superior optimization** using Optuna (TPE, Gaussian Process surrogates)
|
||||
- **Real-time monitoring** with interactive dashboards
|
||||
- **Flexible architecture** with pluggable result extractors
|
||||
- **NXOpen integration** for seamless NX automation
|
||||
|
||||
**Goal**: Create a general-purpose FEA optimization tool more powerful and flexible than NX's built-in optimizer.
|
||||
|
||||
---
|
||||
|
||||
## 📂 Repository Structure
|
||||
|
||||
```
|
||||
C:\Users\antoi\Documents\Atomaste\Atomizer\
|
||||
├── .git/ # Git repository
|
||||
├── .gitignore # Python, NX, optimization files
|
||||
├── LICENSE # Proprietary license
|
||||
├── README.md # Main documentation
|
||||
├── GITHUB_SETUP.md # GitHub push instructions
|
||||
├── DEVELOPMENT.md # Development workflow guide
|
||||
├── PROJECT_SUMMARY.md # This file
|
||||
├── pyproject.toml # Python package config
|
||||
├── requirements.txt # Pip dependencies
|
||||
│
|
||||
├── config/ # Configuration templates
|
||||
│ ├── nx_config.json.template # NX paths (NX 2412)
|
||||
│ └── optimization_config_template.json # Optimization setup
|
||||
│
|
||||
├── mcp_server/ # MCP Server (LLM interface)
|
||||
│ ├── __init__.py
|
||||
│ ├── tools/ # MCP tool implementations
|
||||
│ │ └── __init__.py # Tool registry
|
||||
│ ├── schemas/ # JSON validation schemas
|
||||
│ └── prompts/
|
||||
│ ├── system_prompt.md # LLM instructions (complete)
|
||||
│ └── examples/ # Few-shot examples
|
||||
│
|
||||
├── optimization_engine/ # Core optimization logic
|
||||
│ ├── __init__.py
|
||||
│ └── result_extractors/ # Pluggable metric extractors
|
||||
│ └── __init__.py # Base class + registry
|
||||
│
|
||||
├── nx_journals/ # NXOpen scripts
|
||||
│ ├── __init__.py
|
||||
│ └── utils/ # Helper functions
|
||||
│
|
||||
├── dashboard/ # Web UI (planned)
|
||||
│ ├── frontend/ # React app
|
||||
│ └── backend/ # FastAPI server
|
||||
│
|
||||
├── docs/
|
||||
│ ├── NXOPEN_RESOURCES.md # NXOpen reference guide
|
||||
│ └── configuration.md # (planned)
|
||||
│
|
||||
├── tests/ # Unit tests
|
||||
└── examples/ # Example projects
|
||||
```
|
||||
|
||||
---
|
||||
|
||||
## 🔑 Key Technologies
|
||||
|
||||
### Core Stack
|
||||
- **Python 3.10** (conda environment: `atomizer`)
|
||||
- **Siemens NX 2412** with NX Nastran solver
|
||||
- **Optuna 3.5+** for optimization
|
||||
- **pyNastran 1.4+** for OP2/F06 parsing
|
||||
- **Pandas 2.0+** for data management
|
||||
|
||||
### MCP & Dashboard
|
||||
- **MCP Protocol** for LLM integration
|
||||
- **FastAPI** for backend server
|
||||
- **WebSockets** for real-time updates
|
||||
- **React + TypeScript** for frontend (planned)
|
||||
- **Plotly.js** for 3D visualizations
|
||||
|
||||
### Development Tools
|
||||
- **pytest** for testing
|
||||
- **black** for code formatting
|
||||
- **ruff** for linting
|
||||
- **Git** for version control
|
||||
|
||||
---
|
||||
|
||||
## 🏗️ Architecture Overview
|
||||
|
||||
### Three-Tier Design
|
||||
|
||||
```
|
||||
┌─────────────────────────────────────────────────────────┐
|
||||
│ TIER 1: UI Layer │
|
||||
│ ┌─────────────────────┐ ┌──────────────────────────┐ │
|
||||
│ │ Web Dashboard │ │ LLM Chat Interface │ │
|
||||
│ │ (React + Plotly) │ │ (MCP Client) │ │
|
||||
│ └─────────────────────┘ └──────────────────────────┘ │
|
||||
└─────────────────────────────────────────────────────────┘
|
||||
↕ HTTP/WebSocket
|
||||
┌─────────────────────────────────────────────────────────┐
|
||||
│ TIER 2: MCP Server │
|
||||
│ ┌──────────────────────────────────────────────────┐ │
|
||||
│ │ • Model Discovery (parse .sim files) │ │
|
||||
│ │ • Config Builder (generate optimization.json) │ │
|
||||
│ │ • Optimizer Control (start/stop/monitor) │ │
|
||||
│ │ • Result Analyzer (extract metrics) │ │
|
||||
│ │ • NXOpen API Wrapper (file-based bridge) │ │
|
||||
│ └──────────────────────────────────────────────────┘ │
|
||||
└─────────────────────────────────────────────────────────┘
|
||||
↕ File I/O + Subprocess
|
||||
┌─────────────────────────────────────────────────────────┐
|
||||
│ TIER 3: Execution Layer │
|
||||
│ ┌──────────┐ ┌──────────┐ ┌────────────────────┐ │
|
||||
│ │ NX Core │ │ Optuna │ │ Custom Scripts │ │
|
||||
│ │ (NXOpen) │ │ Engine │ │ (Parsing/Analysis) │ │
|
||||
│ └──────────┘ └──────────┘ └────────────────────┘ │
|
||||
└─────────────────────────────────────────────────────────┘
|
||||
```
|
||||
|
||||
### File-Based Communication Pattern
|
||||
- **MCP Server** ↔ **NX Journals**: JSON request/response files
|
||||
- **Optimization Engine** ↔ **NX**: Expression files (.exp)
|
||||
- **Results**: CSV (history.csv) + SQLite (optuna_study.db)
|
||||
|
||||
---
|
||||
|
||||
## 🧩 Reusable Components from P04/Atomizer
|
||||
|
||||
The following modules from your existing Atomizer project can be adapted:
|
||||
|
||||
| P04 Module | New Location | Adaptation Needed |
|
||||
|-----------|--------------|-------------------|
|
||||
| `code/multi_optimizer.py` | `optimization_engine/multi_optimizer.py` | Minimal - Optuna logic is general |
|
||||
| `code/config_loader.py` | `optimization_engine/config_loader.py` | Extend for extractor plugins |
|
||||
| `code/surrogate_optimizer.py` | `optimization_engine/surrogate_optimizer.py` | Direct copy |
|
||||
| `code/journal_NX_Update_and_Solve.py` | `nx_journals/update_and_solve.py` | Generalize for any .sim file |
|
||||
| `code/zernike_Post_Script_NX.py` | `optimization_engine/result_extractors/zernike.py` | Convert to plugin class |
|
||||
| `code/nx_post_each_iter.py` | `nx_journals/post_process.py` | Use extractor registry |
|
||||
|
||||
**Key Insight**: The optimization engine core (Optuna, history management, CSV/DB) works as-is. Main changes are in result extraction (pluggable) and NX interaction (generalized).
|
||||
|
||||
---
|
||||
|
||||
## 🛠️ MCP Tools (Planned)
|
||||
|
||||
### Model Discovery
|
||||
- **`discover_fea_model`**: Parse .sim files → extract solutions, expressions, FEM info
|
||||
- **`search_nxopen_docs`**: Fetch Siemens NXOpen API documentation
|
||||
|
||||
### Optimization Control
|
||||
- **`build_optimization_config`**: Natural language → optimization_config.json
|
||||
- **`start_optimization`**: Launch optimization run
|
||||
- **`query_optimization_status`**: Get current iteration metrics
|
||||
|
||||
### Result Analysis
|
||||
- **`extract_results`**: Parse OP2/F06/XDB → stress, displacement, mass, etc.
|
||||
- **`run_nx_journal`**: Execute custom NXOpen scripts
|
||||
|
||||
---
|
||||
|
||||
## 📚 NXOpen Development Strategy
|
||||
|
||||
### Resource Hierarchy
|
||||
1. **Official Siemens NXOpen API** - Authoritative reference
|
||||
2. **NXOpenTSE** - Patterns & best practices (reference only, not dependency)
|
||||
3. **Atomizer-specific conventions** - Our implementation
|
||||
|
||||
### NXOpenTSE Integration
|
||||
- **GitHub**: https://github.com/theScriptingEngineer/nxopentse
|
||||
- **Docs**: https://nxopentsedocumentation.thescriptingengineer.com/
|
||||
- **Usage**: Reference for learning, NOT for copying code
|
||||
- **Benefits**:
|
||||
- See proven design patterns
|
||||
- Learn error handling approaches
|
||||
- Understand NX-specific gotchas
|
||||
- Discover lesser-known APIs
|
||||
|
||||
### Code Generation Workflow (via MCP)
|
||||
1. Check official API for method signatures
|
||||
2. Reference NXOpenTSE for usage patterns
|
||||
3. Adapt to Atomizer's architecture
|
||||
4. Add error handling and attribution comments
|
||||
|
||||
**See**: `docs/NXOPEN_RESOURCES.md` for complete guide
|
||||
|
||||
---
|
||||
|
||||
## 🔄 Development Phases (Recommended Order)
|
||||
|
||||
### ✅ Phase 0: Foundation (COMPLETE)
|
||||
- [x] Project structure created
|
||||
- [x] Git repository initialized
|
||||
- [x] GitHub remote configured (Anto01/Atomizer)
|
||||
- [x] Documentation framework
|
||||
- [x] NXOpen resources documented
|
||||
- [x] MCP system prompt complete
|
||||
|
||||
### 🎯 Phase 1: MCP Server Foundation (NEXT)
|
||||
- [ ] Implement `discover_fea_model` tool
|
||||
- [ ] Create .sim file parser
|
||||
- [ ] Build expression extractor
|
||||
- [ ] Test with real .sim files
|
||||
- [ ] Validate JSON schema
|
||||
|
||||
### 🔧 Phase 2: Optimization Engine Port
|
||||
- [ ] Copy Atomizer's `multi_optimizer.py`
|
||||
- [ ] Adapt `config_loader.py` for extractors
|
||||
- [ ] Create pluggable result extractor system
|
||||
- [ ] Implement Nastran OP2 extractor
|
||||
- [ ] Implement NX mass properties extractor
|
||||
|
||||
### 🔌 Phase 3: NXOpen Bridge
|
||||
- [ ] Build file-based NXOpen API wrapper
|
||||
- [ ] Create generic journal dispatcher
|
||||
- [ ] Implement expression update journal
|
||||
- [ ] Implement solve simulation journal
|
||||
- [ ] Test with NX 2412
|
||||
|
||||
### 🎨 Phase 4: Dashboard UI
|
||||
- [ ] React frontend skeleton
|
||||
- [ ] FastAPI backend with WebSocket
|
||||
- [ ] Real-time iteration monitoring
|
||||
- [ ] Plotly visualizations
|
||||
- [ ] Config editor UI
|
||||
|
||||
### 🚀 Phase 5: Integration & Testing
|
||||
- [ ] End-to-end workflow testing
|
||||
- [ ] LLM prompt refinement
|
||||
- [ ] Error handling improvements
|
||||
- [ ] Performance optimization
|
||||
- [ ] User documentation
|
||||
|
||||
---
|
||||
|
||||
## 📝 Current Git Status
|
||||
|
||||
**Repository**: https://github.com/Anto01/Atomizer
|
||||
**Visibility**: Private
|
||||
**Branch**: main
|
||||
**Commits**: 5
|
||||
|
||||
### Commit History
|
||||
```
|
||||
f359d4e - chore: Update NX version to 2412
|
||||
14d2b67 - docs: Add NXOpen resources guide and MCP system prompt
|
||||
d1cbeb7 - Rebrand project from nx-optimaster to Atomizer
|
||||
2201aee - docs: Add GitHub setup and development guides
|
||||
aa3dafb - Initial commit: NX OptiMaster project structure
|
||||
```
|
||||
|
||||
### Files Tracked (15)
|
||||
- `.gitignore`
|
||||
- `LICENSE`
|
||||
- `README.md`
|
||||
- `GITHUB_SETUP.md`
|
||||
- `DEVELOPMENT.md`
|
||||
- `PROJECT_SUMMARY.md` (this file)
|
||||
- `pyproject.toml`
|
||||
- `requirements.txt`
|
||||
- `config/nx_config.json.template`
|
||||
- `config/optimization_config_template.json`
|
||||
- `mcp_server/__init__.py`
|
||||
- `mcp_server/tools/__init__.py`
|
||||
- `optimization_engine/__init__.py`
|
||||
- `optimization_engine/result_extractors/__init__.py`
|
||||
- `nx_journals/__init__.py`
|
||||
- `mcp_server/prompts/system_prompt.md`
|
||||
- `docs/NXOPEN_RESOURCES.md`
|
||||
|
||||
---
|
||||
|
||||
## 🚀 Quick Start Commands
|
||||
|
||||
### Clone Repository (Different Machine)
|
||||
```bash
|
||||
git clone https://github.com/Anto01/Atomizer.git
|
||||
cd Atomizer
|
||||
```
|
||||
|
||||
### Set Up Python Environment
|
||||
```bash
|
||||
# Create conda environment
|
||||
conda create -n atomizer python=3.10
|
||||
conda activate atomizer
|
||||
|
||||
# Install dependencies
|
||||
pip install -e .
|
||||
|
||||
# Install dev tools (optional)
|
||||
pip install -e ".[dev]"
|
||||
|
||||
# Install MCP (when ready)
|
||||
pip install -e ".[mcp]"
|
||||
```
|
||||
|
||||
### Configure NX Path
|
||||
```bash
|
||||
# Copy template
|
||||
cp config/nx_config.json.template config/nx_config.json
|
||||
|
||||
# Edit config/nx_config.json:
|
||||
# - Set nx_executable to your NX 2412 path
|
||||
# - Set python_env to your atomizer conda environment
|
||||
```
|
||||
|
||||
### Git Workflow
|
||||
```bash
|
||||
# Create feature branch
|
||||
git checkout -b feature/model-discovery
|
||||
|
||||
# Make changes, commit
|
||||
git add .
|
||||
git commit -m "feat: implement FEA model discovery tool"
|
||||
|
||||
# Push to GitHub
|
||||
git push -u origin feature/model-discovery
|
||||
|
||||
# Merge to main (after review)
|
||||
git checkout main
|
||||
git merge feature/model-discovery
|
||||
git push origin main
|
||||
```
|
||||
|
||||
---
|
||||
|
||||
## 🎯 Next Immediate Steps
|
||||
|
||||
**When you're ready to start coding**, choose one of these entry points:
|
||||
|
||||
### Option A: MCP Model Discovery (Recommended First)
|
||||
**Goal**: Get LLM to parse .sim files and extract expressions
|
||||
|
||||
**Tasks**:
|
||||
1. Create `mcp_server/tools/model_discovery.py`
|
||||
2. Implement .sim file parsing logic
|
||||
3. Extract expression names and values
|
||||
4. Return structured JSON for LLM
|
||||
5. Test with your P04 .sim files
|
||||
|
||||
**Benefit**: Establishes MCP pattern, immediately useful
|
||||
|
||||
### Option B: Port Optimization Engine
|
||||
**Goal**: Get core optimization working independently
|
||||
|
||||
**Tasks**:
|
||||
1. Copy `multi_optimizer.py`, `config_loader.py` from P04
|
||||
2. Adapt for general use (remove Zernike-specific code)
|
||||
3. Update import paths
|
||||
4. Create simple test case
|
||||
5. Verify Optuna integration works
|
||||
|
||||
**Benefit**: Core functionality ready, can test optimization without MCP
|
||||
|
||||
### Option C: NXOpen Bridge
|
||||
**Goal**: Get NX automation working via file-based communication
|
||||
|
||||
**Tasks**:
|
||||
1. Create `nx_journals/api_dispatcher.py`
|
||||
2. Implement JSON request/response pattern
|
||||
3. Test expression updates
|
||||
4. Test .sim file loading
|
||||
5. Document NXOpen patterns
|
||||
|
||||
**Benefit**: NX integration ready for optimization loop
|
||||
|
||||
---
|
||||
|
||||
## 📊 Key Design Decisions
|
||||
|
||||
### 1. **Why File-Based Communication?**
|
||||
- NXOpen requires NX GUI process
|
||||
- MCP server runs in separate Python environment
|
||||
- Files are robust, inspectable, version-controllable
|
||||
- Proven pattern from P04 Atomizer
|
||||
|
||||
### 2. **Why Pluggable Result Extractors?**
|
||||
- Different FEA problems need different metrics
|
||||
- Zernike analysis is specific to optical surfaces
|
||||
- General tool needs stress, thermal, modal, etc.
|
||||
- Easy to add new extractors without changing core
|
||||
|
||||
### 3. **Why MCP vs. Direct UI?**
|
||||
- Natural language is faster than JSON editing
|
||||
- LLM can suggest reasonable parameter bounds
|
||||
- Conversational debugging ("why did this fail?")
|
||||
- Future: voice commands, multi-modal input
|
||||
|
||||
### 4. **Why Dual Persistence (CSV + SQLite)?**
|
||||
- CSV: Human-readable, Excel-compatible, git-friendly
|
||||
- SQLite: Fast queries, Optuna requirement
|
||||
- Sync on each iteration for crash recovery
|
||||
|
||||
---
|
||||
|
||||
## 🔗 Important Links
|
||||
|
||||
### GitHub
|
||||
- **Repository**: https://github.com/Anto01/Atomizer
|
||||
- **Issues**: GitHub Issues (private repository)
|
||||
|
||||
### Documentation
|
||||
- **Official NXOpen API**: https://docs.sw.siemens.com/en-US/doc/209349590/
|
||||
- **NXOpenTSE**: https://nxopentsedocumentation.thescriptingengineer.com/
|
||||
- **Optuna**: https://optuna.readthedocs.io/
|
||||
- **pyNastran**: https://github.com/SteveDoyle2/pyNastran
|
||||
|
||||
### Local Documentation
|
||||
- **NXOpen Resources**: `docs/NXOPEN_RESOURCES.md`
|
||||
- **MCP System Prompt**: `mcp_server/prompts/system_prompt.md`
|
||||
- **Development Guide**: `DEVELOPMENT.md`
|
||||
- **GitHub Setup**: `GITHUB_SETUP.md`
|
||||
|
||||
---
|
||||
|
||||
## 💡 Key Insights for Success
|
||||
|
||||
1. **Start Small**: Implement one MCP tool at a time, test thoroughly
|
||||
2. **Reference P04**: Your existing Atomizer is 80% of the solution
|
||||
3. **Use NXOpenTSE**: Learn patterns, don't copy code
|
||||
4. **Test Early**: Use real .sim files from day one
|
||||
5. **Document as You Go**: Future you will thank present you
|
||||
6. **Commit Often**: Small, focused commits are easier to debug
|
||||
|
||||
---
|
||||
|
||||
## 🏁 Success Criteria
|
||||
|
||||
**Phase 1 Complete When**:
|
||||
- LLM can parse a .sim file and list expressions
|
||||
- User can ask "what parameters can I optimize?"
|
||||
- System responds with structured list
|
||||
|
||||
**Phase 2 Complete When**:
|
||||
- Can run optimization without LLM (manual config.json)
|
||||
- Optuna suggests parameters
|
||||
- Results saved to history.csv
|
||||
|
||||
**Phase 3 Complete When**:
|
||||
- NX journals can update expressions via file commands
|
||||
- Solver runs automatically
|
||||
- Results extracted to CSV
|
||||
|
||||
**Phase 4 Complete When**:
|
||||
- Dashboard shows real-time iteration updates
|
||||
- User can monitor without opening NX
|
||||
- Plots update automatically
|
||||
|
||||
**Full System Complete When**:
|
||||
- User says: "Optimize bracket.sim to reduce stress"
|
||||
- LLM configures optimization
|
||||
- NX runs iterations automatically
|
||||
- Dashboard shows progress
|
||||
- User gets optimized design
|
||||
|
||||
---
|
||||
|
||||
**Project Status**: Foundation complete, ready for development
|
||||
**Next Action**: Choose entry point (A, B, or C above) and start coding
|
||||
**Estimated Timeline**: 12-16 weeks for full system (part-time)
|
||||
|
||||
---
|
||||
|
||||
**Last Updated**: 2025-11-15
|
||||
**Maintained By**: Antoine (Anto01)
|
||||
**Built With**: Claude Code 🤖
|
||||
@@ -1,260 +0,0 @@
|
||||
# Atomizer
|
||||
|
||||
> Advanced optimization platform for Siemens NX Simcenter with LLM-powered configuration
|
||||
|
||||
[](https://www.python.org/downloads/)
|
||||
[](LICENSE)
|
||||
[](https://github.com)
|
||||
|
||||
## Overview
|
||||
|
||||
Atomizer 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 2412** 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/Anto01/Atomizer.git
|
||||
cd Atomizer
|
||||
```
|
||||
|
||||
2. **Create Python environment**:
|
||||
```bash
|
||||
conda create -n atomizer python=3.10
|
||||
conda activate atomizer
|
||||
```
|
||||
|
||||
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/NX2412/NXBIN/ugraf.exe",
|
||||
"python_env": "C:/Users/YourName/anaconda3/envs/atomizer/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
|
||||
|
||||
```
|
||||
Atomizer/
|
||||
├── 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
|
||||
|
||||
## Resources
|
||||
|
||||
### NXOpen References
|
||||
- **Official API Docs**: [Siemens NXOpen .NET Documentation](https://docs.sw.siemens.com/en-US/doc/209349590/)
|
||||
- **NXOpenTSE**: [The Scripting Engineer's Documentation](https://nxopentsedocumentation.thescriptingengineer.com/) (reference for patterns and best practices)
|
||||
- **Our Guide**: [NXOpen Resources](docs/NXOPEN_RESOURCES.md)
|
||||
|
||||
### Optimization
|
||||
- **Optuna Documentation**: [optuna.readthedocs.io](https://optuna.readthedocs.io/)
|
||||
- **pyNastran**: [github.com/SteveDoyle2/pyNastran](https://github.com/SteveDoyle2/pyNastran)
|
||||
|
||||
---
|
||||
|
||||
**Built with ❤️ by Atomaste** | Powered by Optuna, NXOpen, and Claude
|
||||
@@ -1,130 +0,0 @@
|
||||
# Stress Extraction Fix - Complete ✅
|
||||
|
||||
## Problem Summary
|
||||
Stress extraction from NX Nastran OP2 files was returning **0.0 MPa** instead of expected values (~113 MPa).
|
||||
|
||||
## Root Causes Identified
|
||||
|
||||
### 1. pyNastran API Structure (Primary Issue)
|
||||
**Problem**: The OP2 object uses dotted attribute names like `'stress.chexa_stress'` (not `op2.stress.chexa_stress`)
|
||||
|
||||
**Solution**: Check for dotted attribute names using `hasattr(op2, 'stress.chexa_stress')`
|
||||
|
||||
### 2. Von Mises Stress Index
|
||||
**Problem**: Originally tried to use last column for all elements
|
||||
|
||||
**Solution**:
|
||||
- Solid elements (CHEXA, CTETRA, CPENTA): Use **index 9**
|
||||
- Shell elements (CQUAD4, CTRIA3): Use **last column (-1)**
|
||||
|
||||
### 3. Units Conversion (Critical!)
|
||||
**Problem**: NX Nastran outputs stress in **kPa** (kiloPascals), not MPa
|
||||
|
||||
**Solution**: Divide by 1000 to convert kPa → MPa
|
||||
|
||||
## Code Changes
|
||||
|
||||
### File: [op2_extractor_example.py](optimization_engine/result_extractors/op2_extractor_example.py)
|
||||
|
||||
#### Change 1: API Access Pattern (Lines 97-107)
|
||||
```python
|
||||
# Try format 1: Attribute name with dot (e.g., 'stress.chexa_stress')
|
||||
dotted_name = f'stress.{table_name}'
|
||||
if hasattr(op2, dotted_name):
|
||||
stress_table = getattr(op2, dotted_name)
|
||||
# Try format 2: Nested attribute op2.stress.chexa_stress
|
||||
elif hasattr(op2, 'stress') and hasattr(op2.stress, table_name):
|
||||
stress_table = getattr(op2.stress, table_name)
|
||||
# Try format 3: Direct attribute op2.chexa_stress (older pyNastran)
|
||||
elif hasattr(op2, table_name):
|
||||
stress_table = getattr(op2, table_name)
|
||||
```
|
||||
|
||||
#### Change 2: Correct Index for Solid Elements (Lines 120-126)
|
||||
```python
|
||||
if table_name in ['chexa_stress', 'ctetra_stress', 'cpenta_stress']:
|
||||
# Solid elements: data shape is [itime, nnodes, 10]
|
||||
# Index 9 is von_mises [oxx, oyy, ozz, txy, tyz, txz, o1, o2, o3, von_mises]
|
||||
stresses = stress_data.data[0, :, 9]
|
||||
else:
|
||||
# Shell elements: von Mises is last column
|
||||
stresses = stress_data.data[0, :, -1]
|
||||
```
|
||||
|
||||
#### Change 3: Units Conversion (Lines 141-143)
|
||||
```python
|
||||
# CRITICAL: NX Nastran outputs stress in kPa (mN/mm²), convert to MPa
|
||||
# 1 kPa = 0.001 MPa
|
||||
max_stress_overall_mpa = max_stress_overall / 1000.0
|
||||
```
|
||||
|
||||
## Test Results
|
||||
|
||||
### Before Fix
|
||||
```
|
||||
Max von Mises: 0.00 MPa
|
||||
Element ID: None
|
||||
```
|
||||
|
||||
### After Fix
|
||||
```
|
||||
Max von Mises: 113.09 MPa
|
||||
Element ID: 83
|
||||
Element type: chexa
|
||||
```
|
||||
|
||||
## How to Test
|
||||
|
||||
```bash
|
||||
# In test_env environment
|
||||
conda activate test_env
|
||||
python examples/test_stress_direct.py
|
||||
```
|
||||
|
||||
**Expected output:**
|
||||
- Max stress: ~113.09 MPa
|
||||
- Element: 83 (CHEXA)
|
||||
- Status: SUCCESS!
|
||||
|
||||
## Technical Details
|
||||
|
||||
### pyNastran Data Structure
|
||||
```
|
||||
OP2 Object Attributes (NX 2412.5):
|
||||
├── 'stress.chexa_stress' (dotted attribute name)
|
||||
├── 'stress.cpenta_stress'
|
||||
└── [other element types...]
|
||||
|
||||
stress_data structure:
|
||||
├── data[itime, nnodes, 10] for solid elements
|
||||
│ └── [oxx, oyy, ozz, txy, tyz, txz, o1, o2, o3, von_mises]
|
||||
│ 0 1 2 3 4 5 6 7 8 9
|
||||
└── element_node[:, 0] = element IDs
|
||||
```
|
||||
|
||||
### Units in NX Nastran OP2
|
||||
- Stress units: **kPa** (kilopascals) = mN/mm²
|
||||
- To convert to MPa: divide by 1000
|
||||
- Example: 113094.73 kPa = 113.09 MPa
|
||||
|
||||
## Files Modified
|
||||
- [optimization_engine/result_extractors/op2_extractor_example.py](optimization_engine/result_extractors/op2_extractor_example.py) - Main extraction logic
|
||||
|
||||
## Files Created for Testing
|
||||
- [examples/test_stress_direct.py](examples/test_stress_direct.py) - Direct stress extraction test
|
||||
- [examples/test_stress_fix.py](examples/test_stress_fix.py) - Verification script
|
||||
- [examples/debug_op2_stress.py](examples/debug_op2_stress.py) - Deep OP2 diagnostic
|
||||
|
||||
## Next Steps
|
||||
1. ✅ Stress extraction working
|
||||
2. ✅ Units conversion applied
|
||||
3. ✅ Compatible with multiple pyNastran versions
|
||||
4. ⏭️ Test complete optimization pipeline
|
||||
5. ⏭️ Integrate with NX solver execution
|
||||
|
||||
## Compatibility
|
||||
- ✅ NX Nastran 2412.5
|
||||
- ✅ pyNastran (latest version with dotted attribute names)
|
||||
- ✅ Older pyNastran versions (fallback to direct attributes)
|
||||
- ✅ CHEXA, CPENTA, CTETRA solid elements
|
||||
- ✅ CQUAD4, CTRIA3 shell elements
|
||||
@@ -1,87 +0,0 @@
|
||||
# Testing the Stress Extraction Fix
|
||||
|
||||
## Issue Fixed
|
||||
Previously, stress extraction was returning **0.0 MPa** instead of the expected **~122.91 MPa**.
|
||||
|
||||
**Root Cause**: For solid elements (CHEXA, CTETRA, CPENTA), von Mises stress is at **index 9**, not the last column.
|
||||
|
||||
**Fix Applied**: Modified [op2_extractor_example.py](optimization_engine/result_extractors/op2_extractor_example.py#L106-L109) to check element type and use correct index.
|
||||
|
||||
## How to Test
|
||||
|
||||
### 1. Activate your test environment
|
||||
```bash
|
||||
conda activate test_env
|
||||
```
|
||||
|
||||
### 2. Run the verification script
|
||||
```bash
|
||||
python examples/test_stress_fix.py
|
||||
```
|
||||
|
||||
### Expected Output
|
||||
```
|
||||
============================================================
|
||||
STRESS EXTRACTION FIX VERIFICATION
|
||||
============================================================
|
||||
|
||||
--- Displacement (baseline test) ---
|
||||
Max displacement: 0.315xxx mm
|
||||
Node ID: xxx
|
||||
OK Displacement extractor working
|
||||
|
||||
--- Stress (FIXED - should show ~122.91 MPa) ---
|
||||
Max von Mises: 122.91 MPa
|
||||
Element ID: 79
|
||||
Element type: chexa
|
||||
|
||||
SUCCESS! Stress extraction fixed!
|
||||
Expected: ~122.91 MPa
|
||||
Got: 122.91 MPa
|
||||
============================================================
|
||||
```
|
||||
|
||||
## Alternative: Test All Extractors
|
||||
```bash
|
||||
python optimization_engine/result_extractors/extractors.py examples/bracket/bracket_sim1-solution_1.op2
|
||||
```
|
||||
|
||||
## If Successful, Commit the Fix
|
||||
```bash
|
||||
git add optimization_engine/result_extractors/op2_extractor_example.py
|
||||
git commit -m "fix: Correct von Mises stress extraction for solid elements (CHEXA)
|
||||
|
||||
- Use index 9 for solid elements (CHEXA, CTETRA, CPENTA)
|
||||
- Keep last column for shell elements (CQUAD4, CTRIA3)
|
||||
- Fixes stress extraction returning 0.0 instead of actual values (122.91 MPa)"
|
||||
|
||||
git push origin main
|
||||
```
|
||||
|
||||
## Technical Details
|
||||
|
||||
### pyNastran OP2 Data Structure for Solid Elements
|
||||
- Shape: `[itime, nnodes, 10]`
|
||||
- The 10 values are:
|
||||
```
|
||||
[oxx, oyy, ozz, txy, tyz, txz, o1, o2, o3, von_mises]
|
||||
0 1 2 3 4 5 6 7 8 9
|
||||
```
|
||||
- **Von Mises is at index 9**
|
||||
|
||||
### Code Change
|
||||
```python
|
||||
# BEFORE (WRONG):
|
||||
stresses = stress_data.data[0, :, -1] # Last column - WRONG for CHEXA!
|
||||
|
||||
# AFTER (CORRECT):
|
||||
if table_name in ['chexa_stress', 'ctetra_stress', 'cpenta_stress']:
|
||||
# Solid elements: von Mises at index 9
|
||||
stresses = stress_data.data[0, :, 9]
|
||||
else:
|
||||
# Shell elements: von Mises at last column
|
||||
stresses = stress_data.data[0, :, -1]
|
||||
```
|
||||
|
||||
## Files Modified
|
||||
- [optimization_engine/result_extractors/op2_extractor_example.py](optimization_engine/result_extractors/op2_extractor_example.py) - Lines 103-112
|
||||
@@ -1,23 +0,0 @@
|
||||
|
||||
The optimization loop is working, but the results show that:
|
||||
|
||||
1. ✅ Parameter updates are happening in Bracket.prt
|
||||
2. ✅ NX solver is running successfully
|
||||
3. ✅ Results are being extracted from .op2 files
|
||||
4. ✅ Optimization loop completes
|
||||
5. ❌ BUT: All trials return the SAME stress/displacement values
|
||||
|
||||
This indicates that the bracket geometry is NOT actually changing when we update
|
||||
the tip_thickness and support_angle parameters.
|
||||
|
||||
The issue is that these expressions exist in Bracket.prt, but they may not be
|
||||
linked to any geometric features (sketches, extrudes, etc.) that define the
|
||||
actual bracket shape.
|
||||
|
||||
To fix this, the Bracket.prt file needs to be set up so that:
|
||||
- The 'tip_thickness' expression controls an actual dimension
|
||||
- The 'support_angle' expression controls an actual angle
|
||||
- These dimensions are used in sketches/features to define the geometry
|
||||
|
||||
Without this, changing the expressions has no effect on the mesh or the analysis results.
|
||||
|
||||
Reference in New Issue
Block a user