⚗️ PyThermoDB Settings

PyPI Version Supported Python Versions License

📖 Introduction

PyThermoDB Settings is a Python package that acts as an interface between pythermdb and other applications, providing robust, Pydantic-based data models and configuration structures for managing thermodynamic database (ThermoDB) settings.

Calculations can also be done on your mobile with the MoziThermoCalc iOS app: Download on the App Store.

✨ Features

🧪 Component Modeling:

Define chemical components with attributes such as name, formula, state (gas, liquid, solid, aqueous), and mole fraction.
🌡️ Condition Models:

Represent temperature and pressure conditions with unit validation.
⚙️ Component Configuration:

TypedDict-based configuration for databook, table, mode, and custom labels.
📚 Reference Models:
- ReferenceThermoDB: Structure for reference thermodynamic databases, including references, contents, configs, rules, and label management.
- ComponentReferenceThermoDB: Links a component to its reference database.
- ReferencesThermoDB: Handles multiple references and their configurations.
📏 Rule Management:

Define and manage rules for components using dictionary-based structures.
✅ Extensible and Validated:

All models use Pydantic for input validation and extensibility.

💾 Installation

Install via pip (after packaging):

pip install pythermodb_settings

🚀 Usage Example

from pythermodb_settings.models import Component, Temperature, Pressure

# component example
component = Component(
		name="Water",
		formula="H2O",
		state="l",
		mole_fraction=1.0
)

# condition examples
temperature = Temperature(value=298.15, unit="K")
pressure = Pressure(value=1.0, unit="atm")

📝 API Documentation

🧩 Models

Component
- name: str — Name of the component
- formula: str — Chemical formula
- state: Literal['g', 'l', 's', 'aq'] — State (gas, liquid, solid, aqueous)
- mole_fraction: float — Mole fraction (default 1.0)
Temperature
- value: float — Temperature value
- unit: str — Unit (e.g., 'K', 'C', 'F')
Pressure
- value: float — Pressure value
- unit: str — Unit (e.g., 'bar', 'atm', 'Pa')
ComponentConfig
- databook: str — Name of the databook
- table: str — Table name
- mode: str — Mode (e.g., 'DATA', 'EQUATION')
- label: str — Optional label
- labels: dict[str, str] — Optional labels
ReferenceThermoDB
- reference: Dict[str, List[str]] — References and contents
- contents: List[str] — Reference contents
- configs: Dict[str, ComponentConfig] — Reference configs
- rules: Dict[str, ComponentRule] — Reference rules
- labels, ignore_labels, ignore_props: Optional label/property management
ComponentReferenceThermoDB
- component: Component
- reference_thermodb: ReferenceThermoDB
ReferencesThermoDB
- Handles multiple references, contents, configs, rules, and label management

🤝 Contributing

Contributions are welcome! Please feel free to submit a Pull Request to improve the project.

📝 License

This project is licensed under the MIT License. You are free to use, modify, and distribute this software in your own applications or projects. However, if you choose to use this app in another app or software, please ensure that my name, Sina Gilassi, remains credited as the original author. This includes retaining any references to the original repository or documentation where applicable. By doing so, you help acknowledge the effort and time invested in creating this project.

❓ FAQ

For any questions, contact me on LinkedIn.

👨‍💻 Authors

@sinagilassi

Metadata

Release files for pythermodb-settings 0.14.0

For a detailed explanation of source distributions (sdists) and built distributions (wheels), please see the package formats documentation.

Source distribution (sdist)

Source distribution for pythermodb-settings 0.14.0
File	Size	Uploaded
pythermodb_settings-0.14.0.tar.gz	39.0 kB	Sep 3, 2026	Details

Built distribution (wheel)

Table of built distributions (wheels) for pythermodb-settings 0.14.0
File	Interpreter	ABI	Platform	Reset
pythermodb_settings-0.14.0-py3-none-any.whl 45.8 kB Sep 3, 2026	Python 3	none	any	Details

Total release size: 84.8 kB

Release files / pythermodb_settings-0.14.0.tar.gz

Download URL	pythermodb_settings-0.14.0.tar.gz
Size	39.0 kB
Tags	Source
SHA-256 checksum How to use checksums	`998630806a5f589cdba29a38499a02ff0b9f35dee226ac2d83d12ed7823a4341`
BLAKE2b-256 checksum How to use checksums	`68605be68220253825f83266f533f800142c18de0d27c463d1f97ac617ab164e`
Upload date	Sep 3, 2026
Uploaded using Trusted Publishing? What is trusted publishing?	No
Uploaded via	`uv/0.7.8`

Release files / pythermodb_settings-0.14.0-py3-none-any.whl

Download URL	pythermodb_settings-0.14.0-py3-none-any.whl
Size	45.8 kB
Tags	Python 3
SHA-256 checksum How to use checksums	`3b5c0d14aacde2d5280e6975a520e01a41ed86b6ef9564aecbbe53769cdb1422`
BLAKE2b-256 checksum How to use checksums	`57a1d7f217f68493df72d08693740d901ca1aea50b4f09bb253f829e7e762367`
Upload date	Sep 3, 2026
Uploaded using Trusted Publishing? What is trusted publishing?	No
Uploaded via	`uv/0.7.8`