⚗️ PyThermoDB Settings

PyPI Downloads PyPI Version Supported Python Versions License Download on the App Store

📖 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

Project links

Key dates

PyPI data
Data sourced directly from PyPI's database.
  • Released:
Newer release available (0.6.0)

1 maintainer

PyPI data
Data sourced directly from PyPI's database.
Avatar for sinagilassi from gravatar.com sinagilassi

Credits

Author: Sina Gilassi

License expression

MIT
View SPDX License List

Requires

Python >=3.11

Classifiers

Report project as malware

Download files

Download the file for your platform. If you're not sure which to choose, learn more about installing packages.

Source Distribution

pythermodb_settings-0.5.1.tar.gz (27.0 kB view details)

Uploaded Source

Built Distribution

If you're not sure about the file name format, learn more about wheel file names.

pythermodb_settings-0.5.1-py3-none-any.whl (31.3 kB view details)

Uploaded Python 3

File details

Details for the file pythermodb_settings-0.5.1.tar.gz.

File metadata

  • Download URL: pythermodb_settings-0.5.1.tar.gz
  • Upload date:
  • Size: 27.0 kB
  • Tags: Source
  • Uploaded using Trusted Publishing? No
  • Uploaded via: uv/0.8.3

File hashes

Hashes for pythermodb_settings-0.5.1.tar.gz
Algorithm Hash digest
SHA256 5442d6857faee89faffdd8a054e8615f13fbdeeb6b91b5baab6a65540e6fabea
MD5 f14ae3b8b39b69ee3a68d310c7e3891f
BLAKE2b-256 3b180b302c64118861ad2274243638f2011b599e6278d4654af9e0ca8a1919ab

See more details on using hashes here.

File details

Details for the file pythermodb_settings-0.5.1-py3-none-any.whl.

File metadata

File hashes

Hashes for pythermodb_settings-0.5.1-py3-none-any.whl
Algorithm Hash digest
SHA256 4b44ec3e3279cc24b43ebf6b474646ff30e9f7606be944d6c3e3c4c41f80f158
MD5 04dff9cf95bc91c0742435b5937a6e0e
BLAKE2b-256 3e7f5b26cca0a9023244b1c37d151765ae3732346b00d55d163269be9243b7c0

See more details on using hashes here.

Release history Release notifications | RSS feed

0.6.0

2 files

This release

0.5.1 This release

2 files

0.5.0

2 files

0.4.0

2 files

0.3.0

2 files

0.2.13

2 files

0.2.12

2 files

0.2.11

2 files

0.2.10

2 files

0.2.9

2 files

0.2.8

2 files

0.2.7

2 files

0.2.6

2 files

0.2.5

2 files

0.2.4

2 files

0.2.3

2 files

0.2.2

2 files

0.2.1

2 files

0.2.0

2 files

0.1.13

2 files

0.1.12

2 files

0.1.11

2 files

0.1.10

2 files

0.1.9

2 files

0.1.8

2 files

0.1.7

2 files

0.1.6

2 files

0.1.5

2 files

0.1.4

2 files

0.1.3

2 files

0.1.2

2 files

0.1.1

2 files

0.1.0

2 files

Supported by

AWS Cloud computing and Security Sponsor Datadog Monitoring Depot Continuous Integration Fastly CDN Google Download Analytics Sentry Error logging StatusPage Status page