milescoder 0.1.3

A Python package for encoding and decoding MILES (Material Input Line Entry System) strings - a standardized notation system for describing comprehensive material properties in a compact, machine-readable format.

MILESCoder

A Python package for encoding and decoding MILES (Material Input Line Entry System) strings - a standardized notation system for describing comprehensive material properties in a compact, machine-readable format.

🌟 Features

• Bidirectional Conversion: Convert between structured JSON data and compact MILES strings
• Hierarchical Material Description: Support for 6 hierarchical layers (L0-L5) covering material properties from basic composition to advanced manufacturing parameters
• Type-Safe Models: Built with Pydantic v2 for robust data validation and type safety
• Comprehensive Material Coverage: Supports metals, alloys, surface treatments, corrosion testing, and additive manufacturing parameters
• Built to be extended: Automatic handling of new Pydantic models.

📦 Installation

pip install milescoder

🚀 Quick Start

from milescoder import MILESCoder
from milescoder.models import MILESData, L0Parameters, L1Parameters, L2Parameters

# Initialize the coder
coder = MILESCoder()

# Create sample material data
data = MILESData(
    l0=L0Parameters(material="metal"),
    l1=L1Parameters(metal="Al"),
    l2=L2Parameters(
        alloy={
            "materialID": "AA6061",
            "nominalComposition": [
                {"element": "Al", "content": 97.9},
                {"element": "Mg", "content": 1.0},
                {"element": "Si", "content": 1.1}
            ]
        }
    )
)

# Encode to MILES string
miles_string = coder.encode(data)
print(miles_string)  # "0.1A/L0ME/L1Al/L2ID"AA6061"NCAlMg1.0Si1.1"

# Decode back to structured data
decoded_data = coder.decode(miles_string)
print(decoded_data)

🏗️ Architecture

Layer Structure

The MILES system organizes material information into hierarchical layers:

• L0: Base material type (e.g., "metal")
• L1: Specific metal element (e.g., "Al", "Fe", "Mg")
• L2: Alloy composition, microstructure (EBSD), grain characteristics
• L3: Manufacturing processes, surface treatments, mechanical properties
• L4: Corrosion testing parameters, electrolyte composition, environmental conditions
• L5: Additive manufacturing parameters, powder characteristics

Note: Currently only metallic base materials are implemented

Core Components

MILESCoder Class: The main encoder/decoder class that handles conversion between MILES strings and structured data:

class MILESCoder:
    def encode(self, data: MILESData) -> str:
        """Encode MILES data to string representation."""
        
    def decode(self, miles_str: str) -> Dict[str, Any]:
        """Decode MILES string to structured data."""

Pydantic Models: Type-safe data models with comprehensive validation.

Custom Field Factory: The miles_field() function creates Pydantic fields with MILES-specific metadata:

from milescoder.models import miles_field

# Example field with MILES metadata
material_id = miles_field(
    code="ID",                    # MILES encoding code
    is_string=True,              # String type flag
    max_length=50,               # Validation constraint
    description="Material identifier",
    example="AA6061"
)

📊 Supported Material Properties

L2: Alloy & Microstructure

• Composition: Elemental and nominal compositions
• Microstructure: Crystal phases, grain structure, EBSD data
• Phases: Hardening precipitates, intermetallics, dispersoids
• Texture: Crystal orientation, IPF data, Schmid factors

L3: Manufacturing & Properties

• Mechanical Properties: Hardness, yield strength, Young's modulus
• Heat Treatment: Annealing, quenching, tempering parameters
• Surface Processing: Rolling, extrusion, surface treatments
• Manufacturing Flags: Cast, forged, wrought, shot peened

L4: Corrosion Testing

• Electrolytes: Complex solution compositions with SMILES notation
• Corrosion Types: Pitting, generalized, filiform, crevice
• Test Conditions: Temperature, pH, immersion time, cyclic exposure
• Biological Testing: In-vivo and in-vitro test parameters

L5: Additive Manufacturing

• Laser Parameters: Power, speed, spot size, hatch spacing
• Process Control: Layer thickness, scanning strategy, atmosphere
• Powder Characteristics: Size distribution, preheat temperature
• Quality Metrics: Density, defect analysis

🔧 Advanced Usage

Composition Handling

The package provides sophisticated composition parsing for various formats:

# Elemental composition
composition = [
    {"element": "Fe", "content": 68.0},
    {"element": "Cr", "content": 18.0},
    {"element": "Ni", "content": 10.0}
]

# Compound composition with SMILES notation
electrolyte = [
    {"name": "Sodium Chloride", "smilesString": "[Na+].[Cl-]", "molarity": 0.1},
    {"name": "Water", "smilesString": "O", "molarity": 55.5}
]

Crystal Structure Data

Support for crystallographic information:

crystal_phase = {
    "phase": "FCC",
    "composition": [
        {"element": "Al", "content": 90.0},
        {"element": "Cu", "content": 10.0}
    ]
}

crystal_orientation = {
    "ipf": "X",
    "suborientation": [
        {"percent": 45.2, "millerIndices": [1, 1, 1]},
        {"percent": 30.8, "millerIndices": [1, 0, 0]}
    ]
}

Complex Surface Treatments

Detailed surface modification parameters:

surface_treatment = {
    "type": "SiC",
    "grade": 400
}

heat_treatment = {
    "heatTreatmentType": "annealing",
    "heatTreatmentTemperature": 400.0,
    "heatTreatmentTime": 2.0,
    "heatTreatmentAtmosphereComposition": [
        {"element": "H", "content": 1000.0}  # ppm
    ]
}

🔒 Security Features

• Input Sanitization: Automatic cleaning of string inputs to prevent injection attacks
• Validation: Comprehensive Pydantic validation for all data types
• Type Safety: Strong typing throughout the entire package
• Length Limits: Configurable maximum lengths for string fields

📚 Element Code System

The package includes a comprehensive element coding system for compact representation:

element_codes = {
    "H": "Hh", "He": "He", "Li": "Li", "Be": "Be",
    "Fe": "Fe", "Al": "Al", "Cr": "Cr", "Ni": "Ni",
    # ... complete periodic table coverage
}

🔗 Version Compatibility

• Python: 3.9+
• Pydantic: v2.0+
• MILES Format: Version 0.1A

🤝 Contributing

Contributions are welcome! The package is designed to be extensible:

1. Add new layer parameters by extending the L*Parameters models
2. Implement custom field types with appropriate MILES metadata
3. Extend the encoding/decoding logic for new data patterns

📄 License

This project is licensed under the MIT License.

🔗 Related Projects

• MILES Web Application: Interactive web interface for MILES encoding/decoding
• MILES-GPT: AI-powered PDF extraction for automated MILES generation

MILESCoder: Making material descriptions machine-readable for computational materials science.