Adapter class to enable using the SteadyStateSystem solver with ReactorNet. More...

#include <ReactorNet.h>

Inheritance diagram for SteadyReactorSolver:

Detailed Description

Adapter class to enable using the SteadyStateSystem solver with ReactorNet.

See also: ReactorNet::solveSteady

Since: New in Cantera 3.2.

Definition at line 440 of file ReactorNet.h.

Public Member Functions
	SteadyReactorSolver (ReactorNet net, double x0)

void	eval (double x, double r, double rdt=-1.0, int count=1) override
	Evaluate the residual function.

void	initTimeInteg (double dt, double *x) override
	Prepare for time stepping beginning with solution x and timestep dt.

void	evalJacobian (double *x0) override
	Evaluates the Jacobian at x0 using finite differences.

double	weightedNorm (const double *step) const override
	Compute the weighted norm of `step`.

string	componentName (size_t i) const override
	Get the name of the i-th component of the state vector.

double	upperBound (size_t i) const override
	Get the upper bound for global component i in the state vector.

double	lowerBound (size_t i) const override
	Get the lower bound for global component i in the state vector.

void	resetBadValues (double *x) override
	Reset values such as negative species concentrations.

void	writeDebugInfo (const string &header_suffix, const string &message, int loglevel, int attempt_counter) override
	Write solver debugging based on the specified log level.

Public Member Functions inherited from SteadyStateSystem
	SteadyStateSystem (const SteadyStateSystem &)=delete

SteadyStateSystem &	operator= (const SteadyStateSystem &)=delete

virtual void	eval (double x, double r, double rdt=-1.0, int count=1)=0
	Evaluate the residual function.

virtual void	evalJacobian (double *x0)=0
	Evaluates the Jacobian at x0 using finite differences.

virtual double	weightedNorm (const double *step) const =0
	Compute the weighted norm of `step`.

int	solve (double x0, double x1, int loglevel)
	Solve \( F(x) = 0 \), where \( F(x) \) is the residual function.

void	setInitialGuess (const double *x)
	Set the initial guess. Should be called before solve().

void	solve (int loglevel=0)
	Solve the steady-state problem, taking internal timesteps as necessary until the Newton solver can converge for the steady problem.

void	getState (double *x) const
	Get the converged steady-state solution after calling solve().

double	ssnorm (double x, double r)
	Steady-state max norm (infinity norm) of the residual evaluated using solution x.

size_t	size () const
	Total solution vector length;.

virtual void	resize ()
	Call to set the size of internal data structures after first defining the system or if the problem size changes, for example after grid refinement.

size_t	bandwidth () const
	Jacobian bandwidth.

virtual string	componentName (size_t i) const
	Get the name of the i-th component of the state vector.

virtual pair< string, string >	componentTableHeader () const
	Get header lines describing the column names included in a component label.

virtual string	componentTableLabel (size_t i) const
	Get elements of the component name, aligned with the column headings given by componentTableHeader().

virtual double	upperBound (size_t i) const =0
	Get the upper bound for global component i in the state vector.

virtual double	lowerBound (size_t i) const =0
	Get the lower bound for global component i in the state vector.

MultiNewton &	newton ()
	Return a reference to the Newton iterator.

void	setLinearSolver (shared_ptr< SystemJacobian > solver)
	Set the linear solver used to hold the Jacobian matrix and solve linear systems as part of each Newton iteration.

shared_ptr< SystemJacobian >	linearSolver () const
	Get the the linear solver being used to hold the Jacobian matrix and solve linear systems as part of each Newton iteration.

double	rdt () const
	Reciprocal of the time step.

bool	transient () const
	True if transient mode.

bool	steady () const
	True if steady mode.

virtual void	initTimeInteg (double dt, double *x)
	Prepare for time stepping beginning with solution x and timestep dt.

virtual void	setSteadyMode ()
	Prepare to solve the steady-state problem.

vector< int > &	transientMask ()
	Access the vector indicating which equations contain a transient term.

double	timeStep (int nsteps, double dt, double x, double r, int loglevel)
	Take time steps using Backward Euler.

virtual void	resetBadValues (double *x)
	Reset values such as negative species concentrations.

void	setJacAge (int ss_age, int ts_age=-1)
	Set the maximum number of steps that can be taken using the same Jacobian before it must be re-evaluated.

void	setInterrupt (Func1 *interrupt)
	Set a function that will be called every time eval is called.

void	setTimeStepCallback (Func1 *callback)
	Set a function that will be called after each successful timestep.

void	setJacobianPerturbation (double relative, double absolute, double threshold)
	Configure perturbations used to evaluate finite difference Jacobian.

virtual void	writeDebugInfo (const string &header_suffix, const string &message, int loglevel, int attempt_counter)
	Write solver debugging based on the specified log level.

virtual void	clearDebugFile ()
	Delete debug output file that may be created by writeDebugInfo() when solving with high `loglevel`.

void	setTimeStep (double stepsize, size_t n, const int *tsteps)
	Set the number of time steps to try when the steady Newton solver is unsuccessful.

void	setMinTimeStep (double tmin)
	Set the minimum time step allowed during time stepping.

void	setMaxTimeStep (double tmax)
	Set the maximum time step allowed during time stepping.

void	setTimeStepFactor (double tfactor)
	Sets a factor by which the time step is reduced if the time stepping fails.

void	setMaxTimeStepCount (int nmax)
	Set the maximum number of timeteps allowed before successful steady-state solve.

int	maxTimeStepCount () const
	Get the maximum number of timeteps allowed before successful steady-state solve.

Private Attributes
ReactorNet *	m_net = nullptr

vector< double >	m_initialState
	Initial value of each state variable.

vector< size_t >	m_algebraic
	Indices of variables that are held constant in the time-stepping mode of the steady-state solver.

Additional Inherited Members
Protected Member Functions inherited from SteadyStateSystem
void	evalSSJacobian (double x, double rsd)
	Evaluate the steady-state Jacobian, accessible via linearSolver()

Protected Attributes inherited from SteadyStateSystem
vector< int >	m_steps = { 10 }
	Array of number of steps to take after each unsuccessful steady-state solve before re-attempting the steady-state solution.

double	m_tstep = 1.0e-5
	Initial timestep.

double	m_tmin = 1e-16
	Minimum timestep size.

double	m_tmax = 1e+08
	Maximum timestep size.

double	m_tfactor = 0.5
	Factor time step is multiplied by if time stepping fails ( < 1 )

shared_ptr< vector< double > >	m_state
	Solution vector.

vector< double >	m_xnew
	Work array used to hold the residual or the new solution.

vector< double >	m_xlast_ts
	State vector after the last successful set of time steps.

unique_ptr< MultiNewton >	m_newt
	Newton iterator.

double	m_rdt = 0.0
	Reciprocal of time step.

shared_ptr< SystemJacobian >	m_jac
	Jacobian evaluator.

bool	m_jac_ok = false
	If `true`, Jacobian is current.

size_t	m_bw = 0
	Jacobian bandwidth.

size_t	m_size = 0
	Solution vector size

vector< double >	m_work1
	Work arrays used during Jacobian evaluation.

vector< double >	m_work2

vector< int >	m_mask
	Transient mask.

int	m_ss_jac_age = 20
	Maximum age of the Jacobian in steady-state mode.

int	m_ts_jac_age = 20
	Maximum age of the Jacobian in time-stepping mode.

int	m_attempt_counter = 0
	Counter used to manage the number of states stored in the debug log file generated by writeDebugInfo()

int	m_max_history = 10
	Constant that determines the maximum number of states stored in the debug log file generated by writeDebugInfo()

Func1 *	m_interrupt = nullptr
	Function called at the start of every call to eval.

Func1 *	m_time_step_callback = nullptr
	User-supplied function called after each successful timestep.

int	m_nsteps = 0
	Number of time steps taken in the current call to solve()

int	m_nsteps_max = 500
	Maximum number of timesteps allowed per call to solve()

double	m_jacobianThreshold = 0.0
	Threshold for ignoring small elements in Jacobian.

double	m_jacobianRelPerturb = 1e-5
	Relative perturbation of each component in finite difference Jacobian.

double	m_jacobianAbsPerturb = 1e-10
	Absolute perturbation of each component in finite difference Jacobian.

Constructor & Destructor Documentation

◆ SteadyReactorSolver()

SteadyReactorSolver	(	ReactorNet *	net,
		double *	x0
	)

Definition at line 744 of file ReactorNet.cpp.

Member Function Documentation

◆ eval()

void eval	(	double *	x,
		double *	r,
		double	rdt = `-1.0`,
		int	count = `1`
	)

overridevirtual

Evaluate the residual function.

Parameters

[in]	x	State vector
[out]	r	On return, contains the residual vector
	rdt	Reciprocal of the time step. if omitted, then the internally stored value (accessible using the rdt() method) is used.
	count	Set to zero to omit this call from the statistics

Implements SteadyStateSystem.

Definition at line 766 of file ReactorNet.cpp.

◆ initTimeInteg()

void initTimeInteg	(	double	dt,
		double *	x
	)

overridevirtual

Prepare for time stepping beginning with solution x and timestep dt.

Reimplemented from SteadyStateSystem.

Definition at line 782 of file ReactorNet.cpp.

◆ evalJacobian()

void evalJacobian ( double * x0 )

overridevirtual

Evaluates the Jacobian at x0 using finite differences.

The Jacobian is computed by perturbing each component of x0, evaluating the residual function, and then estimating the partial derivatives numerically using finite differences to determine the corresponding column of the Jacobian.

Parameters

x0	State vector at which to evaluate the Jacobian

Implements SteadyStateSystem.

Definition at line 788 of file ReactorNet.cpp.

◆ weightedNorm()

double weightedNorm ( const double * step ) const

overridevirtual

Compute the weighted norm of step.

The purpose is to measure the "size" of the step vector \( \Delta x \) in a way that takes into account the relative importance or scale of different solution components. Each component of the step vector is normalized by a weight that depends on both the current magnitude of the solution vector and specified tolerances. This makes the norm dimensionless and scaled appropriately, avoiding issues where some components dominate due to differences in their scales. See OneDim::weightedNorm() for a representative implementation.

Implements SteadyStateSystem.

Definition at line 823 of file ReactorNet.cpp.

◆ componentName()

string componentName ( size_t i ) const

overridevirtual

Get the name of the i-th component of the state vector.

Reimplemented from SteadyStateSystem.

Definition at line 835 of file ReactorNet.cpp.

◆ upperBound()

double upperBound ( size_t i ) const

overridevirtual

Get the upper bound for global component i in the state vector.

Implements SteadyStateSystem.

Definition at line 840 of file ReactorNet.cpp.

◆ lowerBound()

double lowerBound ( size_t i ) const

overridevirtual

Get the lower bound for global component i in the state vector.

Implements SteadyStateSystem.

Definition at line 845 of file ReactorNet.cpp.

◆ resetBadValues()

void resetBadValues ( double * x )

overridevirtual

Reset values such as negative species concentrations.

Reimplemented from SteadyStateSystem.

Definition at line 850 of file ReactorNet.cpp.

◆ writeDebugInfo()

void writeDebugInfo	(	const string &	header_suffix,
		const string &	message,
		int	loglevel,
		int	attempt_counter
	)

overridevirtual

Write solver debugging based on the specified log level.

See also: Sim1D::writeDebugInfo for a specific implementation of this capability.

Reimplemented from SteadyStateSystem.

Definition at line 855 of file ReactorNet.cpp.

Member Data Documentation

◆ m_net

ReactorNet* m_net = nullptr

private

Definition at line 456 of file ReactorNet.h.

◆ m_initialState

vector<double> m_initialState

private

Initial value of each state variable.

Definition at line 459 of file ReactorNet.h.

◆ m_algebraic

vector<size_t> m_algebraic

private

Indices of variables that are held constant in the time-stepping mode of the steady-state solver.

Definition at line 463 of file ReactorNet.h.

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

Detailed Description

Public Member Functions

Private Attributes

Additional Inherited Members

Constructor & Destructor Documentation

◆ SteadyReactorSolver()

Member Function Documentation

◆ eval()

◆ initTimeInteg()

◆ evalJacobian()

◆ weightedNorm()

◆ componentName()

◆ upperBound()

◆ lowerBound()

◆ resetBadValues()

◆ writeDebugInfo()

Member Data Documentation

◆ m_net

◆ m_initialState

◆ m_algebraic