gridfire::engine::diagnostics Namespace Reference

Functions
std::optional< nlohmann::json >	report_limiting_species (const DynamicEngine &engine, const std::vector< double > &Y_full, const std::vector< double > &E_full, double relTol, double absTol, size_t top_n=10, bool json=false)
	Report the species that are limiting the accuracy of the integration. This is useful for identifying species that may be limiting the timestepping due to their high relative errors compared to the specified tolerances.
std::optional< nlohmann::json >	inspect_species_balance (const DynamicEngine &engine, const std::string &species_name, const fourdst::composition::Composition &comp, double T9, double rho, bool json)
	Inspect the production and destruction balance of a specific species in the reaction network. This function analyzes the reactions that create and destroy the specified species, providing insights into potential imbalances that may affect the accuracy of the simulation.
std::optional< nlohmann::json >	inspect_jacobian_stiffness (const DynamicEngine &engine, const fourdst::composition::Composition &comp, double T9, double rho, bool json)
	Inspect the stiffness of the Jacobian matrix for the reaction network at the given temperature and density. This function evaluates the diagonal and off-diagonal elements of the Jacobian to identify potential numerical issues related to stiffness.
void	save_jacobian_to_file (const NetworkJacobian &jacobian, const std::string &filename)
	Save the Jacobian matrix to a file for external analysis.

Function Documentation

inspect_jacobian_stiffness()

std::optional< nlohmann::json > gridfire::engine::diagnostics::inspect_jacobian_stiffness	(	const DynamicEngine &	engine,
		const fourdst::composition::Composition &	comp,
		double	T9,
		double	rho,
		bool	json )

Inspect the stiffness of the Jacobian matrix for the reaction network at the given temperature and density. This function evaluates the diagonal and off-diagonal elements of the Jacobian to identify potential numerical issues related to stiffness.

Parameters

engine	Constant reference to the DynamicEngine instance.
comp	The current composition of the system as a fourdst::composition::Composition object.
T9	The temperature in GK (10^9 K).
rho	The density in g/cm^3.
json	Flag indicating whether to return the results in JSON format. If false, results are printed to standard output.

Returns

std::optional<nlohmann::json> JSON object containing the Jacobian stiffness report if json is true; otherwise, std::nullopt.

inspect_species_balance()

std::optional< nlohmann::json > gridfire::engine::diagnostics::inspect_species_balance	(	const DynamicEngine &	engine,
		const std::string &	species_name,
		const fourdst::composition::Composition &	comp,
		double	T9,
		double	rho,
		bool	json )

Inspect the production and destruction balance of a specific species in the reaction network. This function analyzes the reactions that create and destroy the specified species, providing insights into potential imbalances that may affect the accuracy of the simulation.

Parameters

engine	Constant reference to the DynamicEngine instance.
species_name	The name of the species to inspect.
comp	The current composition of the system as a fourdst::composition::Composition object.
T9	The temperature in GK (10^9 K).
rho	The density in g/cm^3.
json	Flag indicating whether to return the results in JSON format. If false, results are printed to standard output.

Returns

std::optional<nlohmann::json> JSON object containing the species balance report if json is true; otherwise, std::nullopt.

report_limiting_species()

std::optional< nlohmann::json > gridfire::engine::diagnostics::report_limiting_species	(	const DynamicEngine &	engine,
		const std::vector< double > &	Y_full,
		const std::vector< double > &	E_full,
		double	relTol,
		double	absTol,
		size_t	top_n = 10,
		bool	json = false )

Report the species that are limiting the accuracy of the integration. This is useful for identifying species that may be limiting the timestepping due to their high relative errors compared to the specified tolerances.

Parameters

engine	Constant reference to the DynamicEngine instance.
Y_full	Vector of the current species molar abundances sorted in the same order as the dynamic engine species list.
E_full	Vector of the current species molar abundance errors sorted in the same order as the dynamic engine species list.
relTol	Relative tolerance for the integration.
absTol	Absolute tolerance for the integration.
top_n	The number of top limiting species to report. Default is 10.
json	Flag indicating whether to return the results in JSON format. If false, results are printed to standard output.

Returns

std::optional<nlohmann::json> JSON object containing the limiting species report if json is true; otherwise, std::nullopt.

save_jacobian_to_file()

void gridfire::engine::diagnostics::save_jacobian_to_file	(	const NetworkJacobian &	jacobian,
		const std::string &	filename )

Save the Jacobian matrix to a file for external analysis.

Parameters

jacobian	Constant reference to the NetworkJacobian instance to be saved.
filename	The name of the file where the Jacobian will be saved.