jaff.core

The jaff.core subpackage contains the primary data-model classes for loading, parsing, and representing chemical reaction networks.

Classes

Class	Description
`Network`	Load and manage a chemical reaction network from file
`Species`	Typed collection of `Specie` objects within a network, network or reaction
`Specie`	Single chemical species with mass, charge, and other attributes and helper methods
`Reactions`	Typed collection of `Reaction` objects within a network
`Reaction`	Single chemical reaction with rate expression and other attributes and helper methods
`Elements`	Extract elements from species and and their collective properties
`Element`	Single chemical element with atomic properties

Quick Start

from jaff import Network
from jaff.core import Elements

net = Network("networks/COthin/react_COthin")

# Access species and reactions
print(f"Species: {net.species.count}")
print(f"Reactions: {net.reactions.count}")

# Element analysis
elem = Elements(net)
print(f"Elements: {net.elements.symbols}")