Atomizer/docs/protocols/operations/OP_01_CREATE_STUDY.md

OP_01: Create Optimization Study

Overview

This protocol guides you through creating a complete Atomizer optimization study from scratch. It covers gathering requirements, generating configuration files, and validating setup.

Skill to Load: .claude/skills/core/study-creation-core.md

---

When to Use

Trigger	Action
"new study", "create study"	Follow this protocol
"set up optimization"	Follow this protocol
"optimize my design"	Follow this protocol
User provides NX model	Assess and follow this protocol

---

Quick Reference

Required Outputs (ALL MANDATORY - study is INCOMPLETE without these):

File	Purpose	Location	Priority
optimization_config.json	Design vars, objectives, constraints	1_setup/	1
run_optimization.py	Execution script	Study root	2
README.md	Engineering documentation	Study root	3 - NEVER SKIP
STUDY_REPORT.md	Results template	Study root	4

CRITICAL: README.md is MANDATORY for every study. A study without README.md is INCOMPLETE.

Study Structure:

studies/{geometry_type}/{study_name}/
├── 1_setup/
│   ├── model/              # NX files (.prt, .sim, .fem)
│   └── optimization_config.json
├── 2_iterations/           # FEA trial folders (iter1, iter2, ...)
├── 3_results/              # Optimization outputs (study.db, logs)
├── README.md               # MANDATORY
├── STUDY_REPORT.md         # MANDATORY
└── run_optimization.py

IMPORTANT: Studies are organized by geometry type:

Geometry Type	Folder	Examples
M1 Mirror	studies/M1_Mirror/	m1_mirror_adaptive_V14, m1_mirror_cost_reduction_V3
Simple Bracket	studies/Simple_Bracket/	bracket_stiffness_optimization
UAV Arm	studies/UAV_Arm/	uav_arm_optimization
Drone Gimbal	studies/Drone_Gimbal/	drone_gimbal_arm_optimization
Simple Beam	studies/Simple_Beam/	simple_beam_optimization
Other/Test	studies/_Other/	training_data_export_test

When creating a new study:

1. Identify the geometry type (mirror, bracket, beam, etc.)
2. Place study under the appropriate studies/{geometry_type}/ folder
3. For new geometry types, create a new folder with descriptive name

---

README Hierarchy (Parent-Child Documentation)

Two-level documentation system:

studies/{geometry_type}/
├── README.md                          # PARENT: Project-level context
│   ├── Project overview               # What is this geometry/component?
│   ├── Physical system specs          # Material, dimensions, constraints
│   ├── Optical/mechanical specs       # Domain-specific requirements
│   ├── Design variables catalog       # ALL possible variables with descriptions
│   ├── Objectives catalog             # ALL possible objectives
│   ├── Campaign history               # Summary of all sub-studies
│   └── Sub-studies index              # Links to each sub-study
│
├── sub_study_V1/
│   └── README.md                      # CHILD: Study-specific details
│       ├── Link to parent             # "See ../README.md for context"
│       ├── Study focus                # What THIS study optimizes
│       ├── Active variables           # Which params enabled
│       ├── Algorithm config           # Sampler, trials, settings
│       ├── Baseline/seeding           # Starting point
│       └── Results summary            # Best trial, learnings
│
└── sub_study_V2/
    └── README.md                      # CHILD: References parent, adds specifics

Parent README Content (Geometry-Level)

Section	Content
Project Overview	What the component is, purpose, context
Physical System	Material, mass targets, loading conditions
Domain Specs	Optical prescription (mirrors), structural limits (brackets)
Design Variables	Complete catalog with ranges and descriptions
Objectives	All possible metrics with formulas
Campaign History	Evolution across sub-studies
Sub-Studies Index	Table with links, status, best results
Technical Notes	Domain-specific implementation details

Child README Content (Study-Level)

Section	Content
Parent Reference	> See [../README.md](../README.md) for project context
Study Focus	What differentiates THIS study
Active Variables	Which parameters are enabled (subset of parent catalog)
Algorithm Config	Sampler, n_trials, sigma, seed
Baseline	Starting point (seeded from prior study or default)
Results	Best trial, improvement metrics
Key Learnings	What was discovered

When to Create Parent README

• First study for a geometry type → Create parent README immediately
• Subsequent studies → Add to parent's sub-studies index
• New geometry type → Create both parent and child READMEs

Example Reference

See studies/M1_Mirror/README.md for a complete parent README example.

---

Detailed Steps

Step 1: Gather Requirements

Ask the user:

1. What are you trying to optimize? (objective)
2. What can you change? (design variables)
3. What limits must be respected? (constraints)
4. Where are your NX files?

Example Dialog:

User: "I want to optimize my bracket"
You: "What should I optimize for - minimum mass, maximum stiffness,
      target frequency, or something else?"
User: "Minimize mass while keeping stress below 250 MPa"

Step 2: Analyze Model (Introspection)

MANDATORY: When user provides NX files, run comprehensive introspection:

from optimization_engine.hooks.nx_cad.model_introspection import (
    introspect_part,
    introspect_simulation,
    introspect_op2,
    introspect_study
)

# Introspect the part file to get expressions, mass, features
part_info = introspect_part("C:/path/to/model.prt")

# Introspect the simulation to get solutions, BCs, loads
sim_info = introspect_simulation("C:/path/to/model.sim")

# If OP2 exists, check what results are available
op2_info = introspect_op2("C:/path/to/results.op2")

# Or introspect entire study directory at once
study_info = introspect_study("studies/my_study/")

Introspection Report Contents:

Source	Information Extracted
.prt	Expressions (count, values, types), bodies, mass, material, features
.sim	Solutions, boundary conditions, loads, materials, mesh info, output requests
.op2	Available results (displacement, stress, strain, SPC forces, etc.), subcases

Generate Introspection Report at study creation:

1. Save report to studies/{study_name}/MODEL_INTROSPECTION.md
2. Include summary of what's available for optimization
3. List potential design variables (expressions)
4. List extractable results (from OP2)

Key Questions Answered by Introspection:

• What expressions exist? (potential design variables)
• What solution types? (static, modal, etc.)
• What results are available in OP2? (displacement, stress, SPC forces)
• Multi-solution required? (static + modal = set solution_name=None)

Step 3: Select Protocol

Based on objectives:

Scenario	Protocol	Sampler
Single objective	Protocol 10 (IMSO)	TPE, CMA-ES, or GP
2-3 objectives	Protocol 11	NSGA-II
>50 trials, need speed	Protocol 14	+ Neural acceleration

See SYS_10_IMSO, SYS_11_MULTI_OBJECTIVE.

Step 4: Select Extractors

Match physics to extractors from SYS_12_EXTRACTOR_LIBRARY:

Need	Extractor ID	Function
Max displacement	E1	extract_displacement()
Natural frequency	E2	extract_frequency()
Von Mises stress	E3	extract_solid_stress()
Mass from BDF	E4	extract_mass_from_bdf()
Mass from NX	E5	extract_mass_from_expression()
Wavefront error	E8-E10	Zernike extractors

Step 5: Generate Configuration

Create optimization_config.json:

{
  "study_name": "bracket_optimization",
  "description": "Minimize bracket mass while meeting stress constraint",

  "design_variables": [
    {
      "name": "thickness",
      "type": "continuous",
      "min": 2.0,
      "max": 10.0,
      "unit": "mm",
      "description": "Wall thickness"
    }
  ],

  "objectives": [
    {
      "name": "mass",
      "type": "minimize",
      "unit": "kg",
      "description": "Total bracket mass"
    }
  ],

  "constraints": [
    {
      "name": "max_stress",
      "type": "less_than",
      "value": 250.0,
      "unit": "MPa",
      "description": "Maximum allowable von Mises stress"
    }
  ],

  "simulation": {
    "model_file": "1_setup/model/bracket.prt",
    "sim_file": "1_setup/model/bracket.sim",
    "solver": "nastran",
    "solution_name": null
  },

  "optimization_settings": {
    "protocol": "protocol_10_single_objective",
    "sampler": "TPESampler",
    "n_trials": 50
  }
}

Step 6: Generate run_optimization.py

CRITICAL: Always use the FEARunner class pattern with proper NXSolver initialization.

#!/usr/bin/env python3
"""
{study_name} - Optimization Runner
Generated by Atomizer LLM
"""
import sys
import re
import json
from pathlib import Path
from typing import Dict, Optional, Any

# Add optimization engine to path
sys.path.insert(0, str(Path(__file__).parent.parent.parent))

import optuna
from optimization_engine.nx_solver import NXSolver
from optimization_engine.utils import ensure_nx_running
from optimization_engine.extractors import extract_solid_stress

# Paths
STUDY_DIR = Path(__file__).parent
SETUP_DIR = STUDY_DIR / "1_setup"
ITERATIONS_DIR = STUDY_DIR / "2_iterations"
RESULTS_DIR = STUDY_DIR / "3_results"
CONFIG_PATH = SETUP_DIR / "optimization_config.json"

# Ensure directories exist
ITERATIONS_DIR.mkdir(exist_ok=True)
RESULTS_DIR.mkdir(exist_ok=True)


class FEARunner:
    """Runs actual FEA simulations. Always use this pattern!"""

    def __init__(self, config: Dict[str, Any]):
        self.config = config
        self.nx_solver = None
        self.nx_manager = None
        self.master_model_dir = SETUP_DIR / "model"

    def setup(self):
        """Setup NX and solver. Called lazily on first use."""
        study_name = self.config.get('study_name', 'my_study')

        # Ensure NX is running
        self.nx_manager, nx_was_started = ensure_nx_running(
            session_id=study_name,
            auto_start=True,
            start_timeout=120
        )

        # CRITICAL: Initialize NXSolver with named parameters, NOT config dict
        nx_settings = self.config.get('nx_settings', {})
        nx_install_dir = nx_settings.get('nx_install_path', 'C:\\Program Files\\Siemens\\NX2506')

        # Extract version from path
        version_match = re.search(r'NX(\d+)', nx_install_dir)
        nastran_version = version_match.group(1) if version_match else "2506"

        self.nx_solver = NXSolver(
            master_model_dir=str(self.master_model_dir),
            nx_install_dir=nx_install_dir,
            nastran_version=nastran_version,
            timeout=nx_settings.get('simulation_timeout_s', 600),
            use_iteration_folders=True,
            study_name=study_name
        )

    def run_fea(self, params: Dict[str, float], iter_num: int) -> Optional[Dict]:
        """Run FEA simulation and extract results."""
        if self.nx_solver is None:
            self.setup()

        # Create expression updates
        expressions = {var['expression_name']: params[var['name']]
                       for var in self.config['design_variables']}

        # Create iteration folder with model copies
        iter_folder = self.nx_solver.create_iteration_folder(
            iterations_base_dir=ITERATIONS_DIR,
            iteration_number=iter_num,
            expression_updates=expressions
        )

        # Run simulation
        nx_settings = self.config.get('nx_settings', {})
        sim_file = iter_folder / nx_settings.get('sim_file', 'model.sim')

        result = self.nx_solver.run_simulation(
            sim_file=sim_file,
            working_dir=iter_folder,
            expression_updates=expressions,
            solution_name=nx_settings.get('solution_name', 'Solution 1'),
            cleanup=False
        )

        if not result['success']:
            return None

        # Extract results
        op2_file = result['op2_file']
        stress_result = extract_solid_stress(op2_file)

        return {
            'params': params,
            'max_stress': stress_result['max_von_mises'],
            'op2_file': op2_file
        }


# Optimizer class would use FEARunner...
# See m1_mirror_adaptive_V14/run_optimization.py for full example

WRONG - causes TypeError: expected str, bytes or os.PathLike object, not dict:

self.nx_solver = NXSolver(self.config)  # ❌ NEVER DO THIS

Reference implementations:

• studies/m1_mirror_adaptive_V14/run_optimization.py (TPE single-objective)
• studies/m1_mirror_adaptive_V15/run_optimization.py (NSGA-II multi-objective)

Step 7: Generate Documentation

README.md (11 sections required):

1. Engineering Problem
2. Mathematical Formulation
3. Optimization Algorithm
4. Simulation Pipeline
5. Result Extraction Methods
6. Neural Acceleration (if applicable)
7. Study File Structure
8. Results Location
9. Quick Start
10. Configuration Reference
11. References

STUDY_REPORT.md (template):

# Study Report: {study_name}

## Executive Summary
- Trials completed: _pending_
- Best objective: _pending_
- Constraint satisfaction: _pending_

## Optimization Progress
_To be filled after run_

## Best Designs Found
_To be filled after run_

## Recommendations
_To be filled after analysis_

Step 7b: Capture Baseline Geometry Images (Recommended)

For better documentation, capture images of the starting geometry using the NX journal:

# Capture baseline images for study documentation
"C:\Program Files\Siemens\DesigncenterNX2512\NXBIN\run_journal.exe" ^
  "C:\Users\antoi\Atomizer\nx_journals\capture_study_images.py" ^
  -args "path/to/model.prt" "1_setup/" "model_name"

This generates:

• 1_setup/{model_name}_Top.png - Top view
• 1_setup/{model_name}_iso.png - Isometric view

Include in README.md:

## Baseline Geometry

![Model - Top View](1_setup/model_name_Top.png)
*Top view description*

![Model - Isometric View](1_setup/model_name_iso.png)
*Isometric view description*

Journal location: nx_journals/capture_study_images.py

Step 8: Validate NX Model File Chain

CRITICAL: NX simulation files have parent-child dependencies. ALL linked files must be copied to the study folder.

Required File Chain Check:

.sim (Simulation)
 └── .fem (FEM)
      └── _i.prt (Idealized Part)  ← OFTEN MISSING!
           └── .prt (Geometry Part)

Validation Steps:

1. Open the .sim file in NX
2. Go to Assemblies → Assembly Navigator or check Part Navigator
3. Identify ALL child components (especially *_i.prt idealized parts)
4. Copy ALL linked files to 1_setup/model/

Common Issue: The _i.prt (idealized part) is often forgotten. Without it:

• UpdateFemodel() runs but mesh doesn't change
• Geometry changes don't propagate to FEM
• All optimization trials produce identical results

File Checklist:

File Pattern	Description	Required
*.prt	Geometry part	✅ Always
*_i.prt	Idealized part	✅ If FEM uses idealization
*.fem	FEM file	✅ Always
*.sim	Simulation file	✅ Always

Introspection should report:

• List of all parts referenced by .sim
• Warning if any referenced parts are missing from study folder

Step 9: Final Validation Checklist

CRITICAL: Study is NOT complete until ALL items are checked:

• NX files exist in 1_setup/model/
• ALL child parts copied (especially *_i.prt)
• Expression names match model
• Config validates (JSON schema)
• run_optimization.py has no syntax errors
• README.md exists (MANDATORY - study is incomplete without it!)
• README.md contains: Overview, Objectives, Constraints, Design Variables, Settings, Usage, Structure
• STUDY_REPORT.md template exists

README.md Minimum Content:

1. Overview/Purpose
2. Objectives with weights
3. Constraints (if any)
4. Design variables with ranges
5. Optimization settings
6. Usage commands
7. Directory structure

---

Examples

Example 1: Simple Bracket

User: "Optimize my bracket.prt for minimum mass, stress < 250 MPa"

Generated config:
- 1 design variable (thickness)
- 1 objective (minimize mass)
- 1 constraint (stress < 250)
- Protocol 10, TPE sampler
- 50 trials

Example 2: Multi-Objective Beam

User: "Minimize mass AND maximize stiffness for my beam"

Generated config:
- 2 design variables (width, height)
- 2 objectives (minimize mass, maximize stiffness)
- Protocol 11, NSGA-II sampler
- 50 trials (Pareto front)

Example 3: Telescope Mirror

User: "Minimize wavefront error at 40deg vs 20deg reference"

Generated config:
- Multiple design variables (mount positions)
- 1 objective (minimize relative WFE)
- Zernike extractor E9
- Protocol 10

---

Troubleshooting

Symptom	Cause	Solution
"Expression not found"	Name mismatch	Verify expression names in NX
"No feasible designs"	Constraints too tight	Relax constraint values
Config validation fails	Missing required field	Check JSON schema
Import error	Wrong path	Check sys.path setup

---

Cross-References

• Depends On: SYS_12_EXTRACTOR_LIBRARY
• Next Step: OP_02_RUN_OPTIMIZATION
• Skill: .claude/skills/core/study-creation-core.md

---

Version History

Version	Date	Changes
1.1	2025-12-12	Added FEARunner class pattern, NXSolver initialization warning
1.0	2025-12-05	Initial release