#include <engine_defined.h>

Inheritance diagram for gridfire::DefinedEngineView:

Collaboration diagram for gridfire::DefinedEngineView:

Public Member Functions
	DefinedEngineView (const std::vector< std::string > &peNames, GraphEngine &baseEngine)

const DynamicEngine &	getBaseEngine () const override
	Get the base engine associated with this defined engine view.

const std::vector< fourdst::atomic::Species > &	getNetworkSpecies () const override
	Gets the list of active species in the network defined by the file.

std::expected< StepDerivatives< double >, expectations::StaleEngineError >	calculateRHSAndEnergy (const fourdst::composition::Composition &comp, double T9, double rho) const override
	Calculates the right-hand side (dY/dt) and energy generation for the active species.

EnergyDerivatives	calculateEpsDerivatives (const fourdst::composition::Composition &comp, double T9, double rho) const override
	Calculate the derivatives of the energy generation rate with respect to T and rho.

void	generateJacobianMatrix (const fourdst::composition::Composition &comp, double T9, double rho) const override
	Generates the Jacobian matrix for the active species.

void	generateJacobianMatrix (const fourdst::composition::Composition &comp, double T9, double rho, const std::vector< fourdst::atomic::Species > &activeSpecies) const override
	Generates the Jacobian matrix for the active species.

void	generateJacobianMatrix (const fourdst::composition::Composition &comp, double T9, double rho, const SparsityPattern &sparsityPattern) const override
	Generates the Jacobian matrix for a given sparsity pattern.

double	getJacobianMatrixEntry (const fourdst::atomic::Species &rowSpecies, const fourdst::atomic::Species &colSpecies) const override
	Gets an entry from the Jacobian matrix for the active species.

void	generateStoichiometryMatrix () override
	Generates the stoichiometry matrix for the active reactions and species.

int	getStoichiometryMatrixEntry (const fourdst::atomic::Species &species, const reaction::Reaction &reaction) const override
	Gets an entry from the stoichiometry matrix for the active species and reactions.

double	calculateMolarReactionFlow (const reaction::Reaction &reaction, const fourdst::composition::Composition &comp, double T9, double rho) const override
	Calculates the molar reaction flow for a given reaction in the active network.

const reaction::ReactionSet &	getNetworkReactions () const override
	Gets the set of active logical reactions in the network.

void	setNetworkReactions (const reaction::ReactionSet &reactions) override

std::expected< std::unordered_map< fourdst::atomic::Species, double >, expectations::StaleEngineError >	getSpeciesTimescales (const fourdst::composition::Composition &comp, double T9, double rho) const override
	Computes timescales for all active species in the network.

std::expected< std::unordered_map< fourdst::atomic::Species, double >, expectations::StaleEngineError >	getSpeciesDestructionTimescales (const fourdst::composition::Composition &comp, double T9, double rho) const override

fourdst::composition::Composition	update (const NetIn &netIn) override
	Updates the engine view if it is marked as stale.

bool	isStale (const NetIn &netIn) override

void	setScreeningModel (screening::ScreeningType model) override
	Sets the screening model for the base engine.

screening::ScreeningType	getScreeningModel () const override
	Gets the screening model from the base engine.

size_t	getSpeciesIndex (const fourdst::atomic::Species &species) const override
	Get the index of a species in the network.

std::vector< double >	mapNetInToMolarAbundanceVector (const NetIn &netIn) const override
	Map a NetIn object to a vector of molar abundances.

PrimingReport	primeEngine (const NetIn &netIn) override
	Prime the engine with initial conditions.

fourdst::composition::Composition	collectComposition (fourdst::composition::Composition &comp) const override
	Recursively collect composition from current engine and any sub engines if they exist.

Public Member Functions inherited from gridfire::DynamicEngine
virtual BuildDepthType	getDepth () const
	Get the depth of the network.

virtual void	rebuild (const fourdst::composition::Composition &comp, BuildDepthType depth)
	Rebuild the network with a specified depth.

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

Public Member Functions inherited from gridfire::EngineView< DynamicEngine >
virtual	~EngineView ()=default
	Virtual destructor.

Protected Attributes
bool	m_isStale = true

GraphEngine &	m_baseEngine

Private Member Functions
std::vector< size_t >	constructSpeciesIndexMap () const
	Constructs the species index map.

std::vector< size_t >	constructReactionIndexMap () const
	Constructs the reaction index map.

std::vector< double >	mapViewToFull (const std::vector< double > &defined) const
	Maps a vector of culled abundances to a vector of full abundances.

std::vector< double >	mapFullToView (const std::vector< double > &full) const
	Maps a vector of full abundances to a vector of culled abundances.

size_t	mapViewToFullSpeciesIndex (size_t definedSpeciesIndex) const
	Maps a culled species index to a full species index.

size_t	mapViewToFullReactionIndex (size_t definedReactionIndex) const
	Maps a culled reaction index to a full reaction index.

void	validateNetworkState () const

void	collect (const std::vector< std::string > &peNames)

Private Attributes
quill::Logger *	m_logger = fourdst::logging::LogManager::getInstance().getLogger("log")
	Active species in the defined engine.

std::set< fourdst::atomic::Species >	m_activeSpecies
	Cache for the active species vector to avoid dangling references.

std::optional< std::vector< fourdst::atomic::Species > >	m_activeSpeciesVectorCache = std::nullopt
	Active reactions in the defined engine.

reaction::ReactionSet	m_activeReactions
	Maps indices of active species to indices in the full network.

std::vector< size_t >	m_speciesIndexMap
	Maps indices of active reactions to indices in the full network.

std::vector< size_t >	m_reactionIndexMap

Constructor & Destructor Documentation

◆ DefinedEngineView()

gridfire::DefinedEngineView::DefinedEngineView	(	const std::vector< std::string > &	peNames,
		GraphEngine &	baseEngine )

Member Function Documentation

◆ calculateEpsDerivatives()

EnergyDerivatives gridfire::DefinedEngineView::calculateEpsDerivatives	(	const fourdst::composition::Composition &	comp,
		double	T9,
		double	rho ) const

nodiscardoverridevirtual

Calculate the derivatives of the energy generation rate with respect to T and rho.

Parameters

comp	Composition object containing current abundances.
T9	Temperature in units of 10^9 K.
rho	Density in g/cm^3.

Returns: EnergyDerivatives containing dEps/dT and dEps/dRho.

This method computes the partial derivatives of the specific nuclear energy generation rate with respect to temperature and density for the current state.

Implements gridfire::DynamicEngine.

◆ calculateMolarReactionFlow()

double gridfire::DefinedEngineView::calculateMolarReactionFlow	(	const reaction::Reaction &	reaction,
		const fourdst::composition::Composition &	comp,
		double	T9,
		double	rho ) const

nodiscardoverridevirtual

Calculates the molar reaction flow for a given reaction in the active network.

Parameters

reaction	The reaction for which to calculate the flow.
comp	A Composition object containing the current composition of the system
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).

Exceptions

std::runtime_error If the view is stale or if the reaction is not in the active set.

Implements gridfire::DynamicEngine.

◆ calculateRHSAndEnergy()

std::expected< StepDerivatives< double >, expectations::StaleEngineError > gridfire::DefinedEngineView::calculateRHSAndEnergy	(	const fourdst::composition::Composition &	comp,
		double	T9,
		double	rho ) const

nodiscardoverridevirtual

Calculates the right-hand side (dY/dt) and energy generation for the active species.

Parameters

comp	A Composition object containing the current composition of the system
T9	The temperature in units of 10^9 K.
rho	The density in g/cm^3.

Returns: A StepDerivatives struct containing the derivatives of the active species and the nuclear energy generation rate.

Exceptions

std::runtime_error If the view is stale (i.e., update() has not been called after setNetworkFile()).

Implements gridfire::Engine.

◆ collect()

void gridfire::DefinedEngineView::collect ( const std::vector< std::string > & peNames )

private

◆ collectComposition()

fourdst::composition::Composition gridfire::DefinedEngineView::collectComposition ( fourdst::composition::Composition & comp ) const

overridevirtual

Recursively collect composition from current engine and any sub engines if they exist.

If species i is defined in comp and in any sub engine or self composition then the molar abundance of species i in the returned composition will be that defined in comp. If there are species defined in sub engine compositions which are not defined in comp then their molar abundances will be based on the reported values from each sub engine.

Note: It is up to each engine to decide how to handle filling in the return composition.; These methods return an unfinalized composition which must then be finalized by the caller

Parameters

comp	Input composition to "normalize".

Returns: An updated composition which is a superset of comp. This may contain species which were culled, for example, by either QSE partitioning or reaction flow rate culling

Implements gridfire::DynamicEngine.

◆ constructReactionIndexMap()

std::vector< size_t > gridfire::DefinedEngineView::constructReactionIndexMap ( ) const

nodiscardprivate

Constructs the reaction index map.

Returns: A vector mapping defined reaction indices to full reaction indices.

This method creates a map from the indices of the active reactions to the indices of the corresponding reactions in the full network.

Exceptions

std::runtime_error If an active reaction is not found in the base engine's reaction list.

◆ constructSpeciesIndexMap()

std::vector< size_t > gridfire::DefinedEngineView::constructSpeciesIndexMap ( ) const

nodiscardprivate

Constructs the species index map.

Returns: A vector mapping defined species indices to full species indices.

This method creates a map from the indices of the active species to the indices of the corresponding species in the full network.

Exceptions

std::runtime_error If an active species is not found in the base engine's species list.

◆ generateJacobianMatrix() [1/3]

void gridfire::DefinedEngineView::generateJacobianMatrix	(	const fourdst::composition::Composition &	comp,
		double	T9,
		double	rho ) const

overridevirtual

Generates the Jacobian matrix for the active species.

Parameters

comp	A Composition object containing the current composition of the system
T9	The temperature in units of 10^9 K.
rho	The density in g/cm^3.

Exceptions

std::runtime_error If the view is stale.

Implements gridfire::DynamicEngine.

◆ generateJacobianMatrix() [2/3]

void gridfire::DefinedEngineView::generateJacobianMatrix	(	const fourdst::composition::Composition &	comp,
		double	T9,
		double	rho,
		const SparsityPattern &	sparsityPattern ) const

overridevirtual

Generates the Jacobian matrix for a given sparsity pattern.

Parameters

comp	A Composition object containing the current composition of the system
T9	The temperature in units of 10^9 K.
rho	The density in g/cm^3.
sparsityPattern	The sparsity pattern to use for the Jacobian matrix.

Exceptions

std::runtime_error If the view is stale.

Implements gridfire::DynamicEngine.

◆ generateJacobianMatrix() [3/3]

void gridfire::DefinedEngineView::generateJacobianMatrix	(	const fourdst::composition::Composition &	comp,
		double	T9,
		double	rho,
		const std::vector< fourdst::atomic::Species > &	activeSpecies ) const

overridevirtual

Generates the Jacobian matrix for the active species.

Parameters

comp	A Composition object containing the current composition of the system
T9	The temperature in units of 10^9 K.
rho	The density in g/cm^3.
activeSpecies	The vector of active species to include in the Jacobian.

Exceptions

std::runtime_error If the view is stale.

Implements gridfire::DynamicEngine.

◆ generateStoichiometryMatrix()

void gridfire::DefinedEngineView::generateStoichiometryMatrix ( )

overridevirtual

Generates the stoichiometry matrix for the active reactions and species.

Exceptions

std::runtime_error If the view is stale.

Implements gridfire::DynamicEngine.

◆ getBaseEngine()

const DynamicEngine & gridfire::DefinedEngineView::getBaseEngine ( ) const

nodiscardoverridevirtual

Get the base engine associated with this defined engine view.

Returns: A const reference to the base DynamicEngine.

Implements gridfire::EngineView< DynamicEngine >.

◆ getJacobianMatrixEntry()

double gridfire::DefinedEngineView::getJacobianMatrixEntry	(	const fourdst::atomic::Species &	rowSpecies,
		const fourdst::atomic::Species &	colSpecies ) const

nodiscardoverridevirtual

Gets an entry from the Jacobian matrix for the active species.

Parameters

rowSpecies	The species corresponding to the row index.
colSpecies	The species corresponding to the column index.

Returns: The value of the Jacobian matrix at (row species index, col species index).

Exceptions

std::runtime_error	If the view is stale.
std::out_of_range	If an index is out of bounds.

Implements gridfire::DynamicEngine.

◆ getNetworkReactions()

const reaction::ReactionSet & gridfire::DefinedEngineView::getNetworkReactions ( ) const

nodiscardoverridevirtual

Gets the set of active logical reactions in the network.

Returns: Reference to the LogicalReactionSet containing all active reactions.

Exceptions

std::runtime_error If the view is stale.

Implements gridfire::DynamicEngine.

◆ getNetworkSpecies()

const std::vector< Species > & gridfire::DefinedEngineView::getNetworkSpecies ( ) const

nodiscardoverridevirtual

Gets the list of active species in the network defined by the file.

Returns: A const reference to the vector of active species.

Implements gridfire::Engine.

◆ getScreeningModel()

screening::ScreeningType gridfire::DefinedEngineView::getScreeningModel ( ) const

nodiscardoverridevirtual

Gets the screening model from the base engine.

Returns: The current screening model type.

Implements gridfire::DynamicEngine.

◆ getSpeciesDestructionTimescales()

std::expected< std::unordered_map< Species, double >, expectations::StaleEngineError > gridfire::DefinedEngineView::getSpeciesDestructionTimescales	(	const fourdst::composition::Composition &	comp,
		double	T9,
		double	rho ) const

nodiscardoverridevirtual

Implements gridfire::DynamicEngine.

◆ getSpeciesIndex()

size_t gridfire::DefinedEngineView::getSpeciesIndex ( const fourdst::atomic::Species & species ) const

nodiscardoverridevirtual

Get the index of a species in the network.

Parameters

species The species to look up.

This method allows querying the index of a specific species in the engine's internal representation. It is useful for accessing species data efficiently.

Implements gridfire::DynamicEngine.

◆ getSpeciesTimescales()

std::expected< std::unordered_map< Species, double >, expectations::StaleEngineError > gridfire::DefinedEngineView::getSpeciesTimescales	(	const fourdst::composition::Composition &	comp,
		double	T9,
		double	rho ) const

nodiscardoverridevirtual

Computes timescales for all active species in the network.

Parameters

comp	A Composition object containing the current composition of the system
T9	Temperature in units of 10^9 K.
rho	Density in g/cm^3.

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

Exceptions

std::runtime_error If the view is stale.

Implements gridfire::DynamicEngine.

◆ getStoichiometryMatrixEntry()

int gridfire::DefinedEngineView::getStoichiometryMatrixEntry	(	const fourdst::atomic::Species &	species,
		const reaction::Reaction &	reaction ) const

nodiscardoverridevirtual

Gets an entry from the stoichiometry matrix for the active species and reactions.

Parameters

species	The species for which to get the stoichiometric coefficient.
reaction	The reaction for which to get the stoichiometric coefficient.

Returns: The stoichiometric coefficient for the given species and reaction.

Exceptions

std::runtime_error	If the view is stale.
std::out_of_range	If an index is out of bounds.

Implements gridfire::DynamicEngine.

◆ isStale()

bool gridfire::DefinedEngineView::isStale ( const NetIn & netIn )

overridevirtual

Implements gridfire::DynamicEngine.

◆ mapFullToView()

std::vector< double > gridfire::DefinedEngineView::mapFullToView ( const std::vector< double > & full ) const

nodiscardprivate

Maps a vector of full abundances to a vector of culled abundances.

Parameters

full	A vector of abundances for the full network.

Returns: A vector of abundances for the active species, with the abundances of the active species copied from the full vector.

◆ mapNetInToMolarAbundanceVector()

std::vector< double > gridfire::DefinedEngineView::mapNetInToMolarAbundanceVector ( const NetIn & netIn ) const

nodiscardoverridevirtual

Map a NetIn object to a vector of molar abundances.

Parameters

netIn The input conditions for the network.

Returns: A vector of molar abundances corresponding to the species in the network.

This method converts the input conditions into a vector of molar abundances, which can be used for further calculations or diagnostics.

Implements gridfire::DynamicEngine.

◆ mapViewToFull()

std::vector< double > gridfire::DefinedEngineView::mapViewToFull ( const std::vector< double > & defined ) const

nodiscardprivate

Maps a vector of culled abundances to a vector of full abundances.

Parameters

defined A vector of abundances for the active species.

Returns: A vector of abundances for the full network, with the abundances of the active species copied from the defined vector.

◆ mapViewToFullReactionIndex()

size_t gridfire::DefinedEngineView::mapViewToFullReactionIndex ( size_t definedReactionIndex ) const

nodiscardprivate

Maps a culled reaction index to a full reaction index.

Parameters

definedReactionIndex The index of the reaction in the defined reaction list.

Returns: The index of the corresponding reaction in the full network.

Exceptions

std::out_of_range If the defined index is out of bounds for the reaction index map.

◆ mapViewToFullSpeciesIndex()

size_t gridfire::DefinedEngineView::mapViewToFullSpeciesIndex ( size_t definedSpeciesIndex ) const

nodiscardprivate

Maps a culled species index to a full species index.

Parameters

definedSpeciesIndex The index of the species in the defined species list.

Returns: The index of the corresponding species in the full network.

Exceptions

std::out_of_range If the defined index is out of bounds for the species index map.

◆ primeEngine()

PrimingReport gridfire::DefinedEngineView::primeEngine ( const NetIn & netIn )

nodiscardoverridevirtual

Prime the engine with initial conditions.

Parameters

netIn The input conditions for the network.

Returns: PrimingReport containing information about the priming process.

This method is used to prepare the engine for calculations by setting up initial conditions, reactions, and species. It may involve compiling reaction rates, initializing internal data structures, and performing any necessary pre-computation.

Implements gridfire::DynamicEngine.

◆ setNetworkReactions()

void gridfire::DefinedEngineView::setNetworkReactions ( const reaction::ReactionSet & reactions )

overridevirtual

Implements gridfire::DynamicEngine.

◆ setScreeningModel()

void gridfire::DefinedEngineView::setScreeningModel ( screening::ScreeningType model )

overridevirtual

Sets the screening model for the base engine.

Parameters

model The screening model to set.

Implements gridfire::DynamicEngine.

◆ update()

fourdst::composition::Composition gridfire::DefinedEngineView::update ( const NetIn & netIn )

overridevirtual

Updates the engine view if it is marked as stale.

This method checks if the view is stale (e.g., after setNetworkFile was called). If it is, it rebuilds the active network from the currently set file. The netIn parameter is not used by this implementation but is required by the interface.

Parameters

netIn The current network input (unused).

Postcondition: If the view was stale, it is rebuilt and is no longer stale.

Implements gridfire::DynamicEngine.

◆ validateNetworkState()

void gridfire::DefinedEngineView::validateNetworkState ( ) const

private

Member Data Documentation

◆ m_activeReactions

reaction::ReactionSet gridfire::DefinedEngineView::m_activeReactions

private

Maps indices of active species to indices in the full network.

◆ m_activeSpecies

std::set<fourdst::atomic::Species> gridfire::DefinedEngineView::m_activeSpecies

private

Cache for the active species vector to avoid dangling references.

◆ m_activeSpeciesVectorCache

std::optional<std::vector<fourdst::atomic::Species> > gridfire::DefinedEngineView::m_activeSpeciesVectorCache = std::nullopt

mutableprivate

Active reactions in the defined engine.

◆ m_baseEngine

GraphEngine& gridfire::DefinedEngineView::m_baseEngine

protected

◆ m_isStale

bool gridfire::DefinedEngineView::m_isStale = true

protected

◆ m_logger

quill::Logger* gridfire::DefinedEngineView::m_logger = fourdst::logging::LogManager::getInstance().getLogger("log")

private

Active species in the defined engine.

Logger instance for trace and debug information.

◆ m_reactionIndexMap

std::vector<size_t> gridfire::DefinedEngineView::m_reactionIndexMap

private

◆ m_speciesIndexMap

std::vector<size_t> gridfire::DefinedEngineView::m_speciesIndexMap

private

Maps indices of active reactions to indices in the full network.

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

src/include/gridfire/engine/views/engine_defined.h
src/lib/engine/views/engine_defined.cpp

Public Member Functions

Protected Attributes

Private Member Functions

Private Attributes

Constructor & Destructor Documentation

◆ DefinedEngineView()

Member Function Documentation

◆ calculateEpsDerivatives()

◆ calculateMolarReactionFlow()

◆ calculateRHSAndEnergy()

◆ collect()

◆ collectComposition()

◆ constructReactionIndexMap()

◆ constructSpeciesIndexMap()

◆ generateJacobianMatrix() [1/3]

◆ generateJacobianMatrix() [2/3]

◆ generateJacobianMatrix() [3/3]

◆ generateStoichiometryMatrix()

◆ getBaseEngine()

◆ getJacobianMatrixEntry()

◆ getNetworkReactions()

◆ getNetworkSpecies()

◆ getScreeningModel()

◆ getSpeciesDestructionTimescales()

◆ getSpeciesIndex()

◆ getSpeciesTimescales()

◆ getStoichiometryMatrixEntry()

◆ isStale()

◆ mapFullToView()

◆ mapNetInToMolarAbundanceVector()

◆ mapViewToFull()

◆ mapViewToFullReactionIndex()

◆ mapViewToFullSpeciesIndex()

◆ primeEngine()

◆ setNetworkReactions()

◆ setScreeningModel()

◆ update()

◆ validateNetworkState()

Member Data Documentation

◆ m_activeReactions

◆ m_activeSpecies

◆ m_activeSpeciesVectorCache

◆ m_baseEngine

◆ m_isStale

◆ m_logger

◆ m_reactionIndexMap

◆ m_speciesIndexMap