🚀Running SFPPy

Running SFPPy without installation

Principles

SFFPy can be run without any specific installation (e.g., in Spyder):

• from the 📂SFPPy/
• from anywhere if the 📂SFPPy/ is in Python sys.path

The 📂SFPPy/ is folder containing the folder 📁patankar/ and 📄example1.py,📄example2.py…

📂SFPPy/ is the folder is created when you unzip the last downloaded release (download page). Depending on the version, this folder is named SFPPy_v1.30/ or SFPPy_v1.30min/.

Update sys.path temporarily to include 📂SFPPy/

In any Python 📄 script which is not located in 📂SFPPy/ , add at the beginning;

# %% Temporarily sys.path modification
import sys

# Check if SFPPy path is already in sys.path
SFPPy_path = '/replace/it/by/your/path/SFPPy_v1.30' # <---- update it
if SFPPy_path in sys.path:
    print(f"SFPPy installation '{SFPPy_path}' is already in sys.path.")
else:
    print(f"Add SFPPy path '{SFPPy_path}' to sys.path.")
    sys.path.append(SFPPy_path)

Add SFPPy path '/replace/it/by/your/path/SFPPy_v1.30'to sys.path.

Let’s check if you can import substances (just an example)

You script can continue afterwards as usual:

# %% Place your code below
from patankar.loadpubchem import migrant
list_of_migrants = ["toluene","limonene","BHT","Irganox 1076"]
m = [migrant(s) for s in list_of_migrants]
print(m)

⚠️ All imports of SFPPy modules must include patankar.

❌ Do not add 📁patankar/ to sys.path since the same import rules are used internally. 📁patankar/is the core library of SFPPy but not the application itself, which include examples, its documentation…

List of modules

patankar.migration	🏗️: Core solver implementing the Patankar finite-volume method for mass transfer modeling.
patankar.geometry	📐: Defines and processes 3D packaging geometries, including surface-area-to-volume calculations Use from patankar.geometry import help_geometry and help_geometry() to list all predefined geometries.
patankar.food	🍎: Models food layers and their interactions with packaging materials. 💡Use from patankar.food import help_food and help_food() to list all predefined food, simulants and contact conditions.
patankar.layer	📜: Manages materials and multilayer packaging structures. 💡 Use from patankar.layer import help_layer and help_layer() to list all predefined polymers and materials.
patankar.property	📊: Computes essential physical and chemical properties (e.g., diffusivities, partitioning coefficients).
patankar.loadpubchem	🔬: Interfaces with PubChem to retrieve molecular properties and cache them locally.
patankar.private.somemodule	🔒Contains internal modules and utilities not intended for direct usage by end-users. For example: patankar.private.pubchempy

Each module contains many classes and subclasses. Import only needed classes (do not use from.patankar.module import * or import patankar.module). The methods are documented and attached to objects.

Use helpers: help_geometry(), help_food(), help_layer()to access