Collaboration diagram for Scine::Kinetx::Network:

Public Member Functions
	Network (Eigen::VectorXd masses, std::tuple< Eigen::SparseMatrix< double >, Eigen::SparseMatrix< double >> rateConstants, std::tuple< Eigen::SparseMatrix< int >, Eigen::SparseMatrix< int >> stoichiometry, std::vector< std::string > labels={})
	Constructor. More...

Public Attributes
const unsigned int	nCompounds
	The number of compounds in the network.

const unsigned int	nReactions
	The number of reactions in the network.

const Eigen::VectorXd	masses
	The molecular masses of the compounds in the network.

const std::tuple < Eigen::MatrixXd, Eigen::MatrixXd >	rateConstants
	The rate constants ({forward, backward}) of all reactions and channels (matrix order: (reaction index, channel index)).

const std::tuple < Eigen::SparseMatrix< int > , Eigen::SparseMatrix< int > >	stoichiometry
	The stoichiometry of all reactions in the network ({lhs, rhs, lhs - rhs, lhs + rhs}) More...

const std::tuple < Eigen::SparseMatrix< int > , Eigen::SparseMatrix< int > >	stoichiometryTransposed

const Eigen::SparseMatrix< int >	totalStoichiometry
	The difference of backwards and forwards stoichiometry.

const Eigen::SparseMatrix< int >	addedStoichiometry
	The sum of forward and backwards stoichiometry.

const std::vector< std::string >	compoundLabels
	The label of all compounds in the network.

Constructor & Destructor Documentation

Scine::Kinetx::Network::Network	(	Eigen::VectorXd	masses,
		std::tuple< Eigen::SparseMatrix< double >, Eigen::SparseMatrix< double >>	rateConstants,
		std::tuple< Eigen::SparseMatrix< int >, Eigen::SparseMatrix< int >>	stoichiometry,
		std::vector< std::string >	labels = `{}`
	)

Constructor.

Parameters

masses	The masses of all compounds
rateConstants	The reaction rates for all reactions. Data layout: Rates: {forward, backward} Matrix order: (reaction index, channel index)
stoichiometry	The stoichiometry tuple for all reactions. Data layout: Stoichiometry: {lhs, rhs, total} Matrix order: (reaction index, compound index)
labels	The label of all compounds in the network.

Member Data Documentation

const std::tuple<Eigen::SparseMatrix<int>, Eigen::SparseMatrix<int> > Scine::Kinetx::Network::stoichiometry

The stoichiometry of all reactions in the network ({lhs, rhs, lhs - rhs, lhs + rhs})

The total stoichiometry is given in forward direction (rhs - lhs). Matrix ordering is (reaction index, compound index).

The documentation for this class was generated from the following files: