Abstract class for engines supporting Jacobian and stoichiometry operations. More...

#include <engine_abstract.h>

Inheritance diagram for gridfire::DynamicEngine:

Public Member Functions
virtual void	generateJacobianMatrix (const std::vector< double > &Y, double T9, double rho)=0
	Generate the Jacobian matrix for the current state.

virtual double	getJacobianMatrixEntry (int i, int j) const =0
	Get an entry from the previously generated Jacobian matrix.

virtual void	generateStoichiometryMatrix ()=0
	Generate the stoichiometry matrix for the network.

virtual int	getStoichiometryMatrixEntry (int speciesIndex, int reactionIndex) const =0
	Get an entry from the stoichiometry matrix.

virtual double	calculateMolarReactionFlow (const reaction::Reaction &reaction, const std::vector< double > &Y, double T9, double rho) const =0
	Calculate the molar reaction flow for a given reaction.

virtual const reaction::LogicalReactionSet &	getNetworkReactions () const =0
	Get the set of logical reactions in the network.

virtual std::unordered_map< fourdst::atomic::Species, double >	getSpeciesTimescales (const std::vector< double > &Y, double T9, double rho) const =0
	Compute timescales for all species in the network.

Public Member Functions inherited from gridfire::Engine
virtual	~Engine ()=default
	Virtual destructor.

virtual const std::vector< fourdst::atomic::Species > &	getNetworkSpecies () const =0
	Get the list of species in the network.

virtual StepDerivatives< double >	calculateRHSAndEnergy (const std::vector< double > &Y, double T9, double rho) const =0
	Calculate the right-hand side (dY/dt) and energy generation.

Detailed Description

Abstract class for engines supporting Jacobian and stoichiometry operations.

Extends Engine with additional methods for:

Generating and accessing the Jacobian matrix (for implicit solvers).
Generating and accessing the stoichiometry matrix.
Calculating molar reaction flows for individual reactions.
Accessing the set of logical reactions in the network.
Computing timescales for each species.

Intended usage: Derive from this class to implement engines that support advanced solver features such as implicit integration, sensitivity analysis, QSE (Quasi-Steady-State Equilibrium) handling, and more.

Definition at line 118 of file engine_abstract.h.

Member Function Documentation

◆ calculateMolarReactionFlow()

virtual double gridfire::DynamicEngine::calculateMolarReactionFlow	(	const reaction::Reaction &	reaction,
		const std::vector< double > &	Y,
		double	T9,
		double	rho ) const

pure virtual

Calculate the molar reaction flow for a given reaction.

Parameters

reaction	The reaction for which to calculate the flow.
Y	Vector of current abundances.
T9	Temperature in units of 10^9 K.
rho	Density in g/cm^3.

Returns: Molar flow rate for the reaction (e.g., mol/g/s).

This method computes the net rate at which the given reaction proceeds under the current state.

Implemented in gridfire::AdaptiveEngineView, and gridfire::GraphEngine.

◆ generateJacobianMatrix()

virtual void gridfire::DynamicEngine::generateJacobianMatrix	(	const std::vector< double > &	Y,
		double	T9,
		double	rho )

pure virtual

Generate the Jacobian matrix for the current state.

Parameters

Y	Vector of current abundances.
T9	Temperature in units of 10^9 K.
rho	Density in g/cm^3.

This method must compute and store the Jacobian matrix (∂(dY/dt)_i/∂Y_j) for the current state. The matrix can then be accessed via getJacobianMatrixEntry().

Implemented in gridfire::AdaptiveEngineView, and gridfire::GraphEngine.

◆ generateStoichiometryMatrix()

virtual void gridfire::DynamicEngine::generateStoichiometryMatrix ( )

pure virtual

Generate the stoichiometry matrix for the network.

This method must compute and store the stoichiometry matrix, which encodes the net change of each species in each reaction.

Implemented in gridfire::AdaptiveEngineView, and gridfire::GraphEngine.

◆ getJacobianMatrixEntry()

virtual double gridfire::DynamicEngine::getJacobianMatrixEntry	(	int	i,
		int	j ) const

pure virtual

Get an entry from the previously generated Jacobian matrix.

Parameters

i	Row index (species index).
j	Column index (species index).

Returns: Value of the Jacobian matrix at (i, j).

The Jacobian must have been generated by generateJacobianMatrix() before calling this.

Implemented in gridfire::AdaptiveEngineView, and gridfire::GraphEngine.

◆ getNetworkReactions()

virtual const reaction::LogicalReactionSet & gridfire::DynamicEngine::getNetworkReactions ( ) const

pure virtual

Get the set of logical reactions in the network.

Returns: Reference to the LogicalReactionSet containing all reactions.

Implemented in gridfire::AdaptiveEngineView, and gridfire::GraphEngine.

◆ getSpeciesTimescales()

virtual std::unordered_map< fourdst::atomic::Species, double > gridfire::DynamicEngine::getSpeciesTimescales	(	const std::vector< double > &	Y,
		double	T9,
		double	rho ) const

pure virtual

Compute timescales for all species in the network.

Parameters

Y	Vector of current abundances.
T9	Temperature in units of 10^9 K.
rho	Density in g/cm^3.

Returns: Map from Species to their characteristic timescales (s).

This method estimates the timescale for abundance change of each species, which can be used for timestep control, diagnostics, and reaction network culling.

Implemented in gridfire::AdaptiveEngineView, and gridfire::GraphEngine.

◆ getStoichiometryMatrixEntry()

virtual int gridfire::DynamicEngine::getStoichiometryMatrixEntry	(	int	speciesIndex,
		int	reactionIndex ) const

pure virtual

Get an entry from the stoichiometry matrix.

Parameters

speciesIndex	Index of the species.
reactionIndex	Index of the reaction.

Returns: Stoichiometric coefficient for the species in the reaction.

The stoichiometry matrix must have been generated by generateStoichiometryMatrix().

Implemented in gridfire::AdaptiveEngineView, and gridfire::GraphEngine.

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

src/network/include/gridfire/engine/engine_abstract.h

Public Member Functions

Detailed Description

Member Function Documentation

◆ calculateMolarReactionFlow()

◆ generateJacobianMatrix()

◆ generateStoichiometryMatrix()

◆ getJacobianMatrixEntry()

◆ getNetworkReactions()

◆ getSpeciesTimescales()

◆ getStoichiometryMatrixEntry()