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README.md

SFPPy Core Library 🍏⏩🍎

This directory contains the core Python modules for the SFPPy framework. These modules provide foundational functionalities for building, running, and analyzing migration simulations.

📁 Files and Subdirectories (Overview, Not Exhaustive)

  • __init__.py: Initializes the SFPPy Python package.
  • migration.py 🏗️: Core solver implementing the Patankar finite-volume method for mass transfer modeling.
  • geometry.py 📐: Defines and processes 3D packaging geometries, including surface-area-to-volume calculations.
  • food.py 🍎: Models food layers and their interactions with packaging materials.
  • layer.py 📜: Manages materials and multilayer packaging structures.
  • property.py 📊: Computes essential physical and chemical properties (e.g., diffusivities, partitioning coefficients).
  • loadpubchem.py 🔬: Interfaces with PubChem to retrieve molecular properties and cache them locally.
  • private/: Contains internal modules and utilities not intended for direct usage by end-users.

🔹 Notes

  • Do not include this directory in your PYTHONPATH. Instead, always import modules as patankar.module.
  • The private/ subdirectory holds internal components and low-level implementations that support the public API but should not be accessed directly.

🚀 SFPPy is designed to simplify compliance testing and migration modeling—keeping it modular, scalable, and efficient!