Wrappers for the function evaluators for Nonlinear solvers and Time steppers. More...

#include <ResidJacEval.h>

Inheritance diagram for ResidJacEval:

Detailed Description

Wrappers for the function evaluators for Nonlinear solvers and Time steppers.

Attention: This class currently does not have any test cases or examples. Its implementation may be incomplete, and future changes to Cantera may unexpectedly cause this class to stop working. If you use this class, please consider contributing examples or test cases. In the absence of new tests or examples, this class may be deprecated and removed in a future version of Cantera. See https://github.com/Cantera/cantera/issues/267 for additional information.

A class for full (non-sparse dense matrices with Fortran-compatible data storage. The class adds support for identifying what types of calls are made to the residual evaluator by adding the ResidEval_Type_Enum class.

Deprecated:: Unused. To be removed after Cantera 3.0.

Definition at line 62 of file ResidJacEval.h.

Public Member Functions
	ResidJacEval (double atol=1.0e-13)
	Default constructor.

int	nEquations () const override
	Return the number of equations in the equation system.

virtual int	evalResidNJ (const double t, const double delta_t, const double const y, const double const ydot, double *const resid, const ResidEval_Type_Enum evalType=Base_ResidEval, const int id_x=-1, const double delta_x=0.0)
	Evaluate the residual function.

int	eval (const double t, const double const y, const double const ydot, double *const r) override
	Evaluate the residual function.

int	getInitialConditions (const double t0, double const y, double const ydot) override
	Fill in the initial conditions.

virtual double	filterNewStep (const double t, const double const ybase, double const step)
	Filter the solution predictions.

virtual double	filterSolnPrediction (const double t, double *const y)
	Filter the solution predictions.

void	setAtol (double atol)
	Set a global value of the absolute tolerance.

virtual int	evalTimeTrackingEqns (const double t, const double delta_t, const double const y, const double const ydot)
	Evaluate the time tracking equations, if any.

virtual bool	evalStoppingCritera (const double t, const double delta_t, const double const y, const double const ydot)
	Evaluate any stopping criteria other than a final time limit.

virtual int	calcDeltaSolnVariables (const double t, const double const y, const double const ydot, double const delta_y, const double const solnWeights=0)
	Return a vector of delta y's for calculation of the numerical Jacobian.

virtual void	calcSolnScales (const double t, const double const y, const double const y_old, double *const yScales)
	Returns a vector of column scale factors that can be used to column scale Jacobians.

virtual void	user_out2 (const int ifunc, const double t, const double delta_t, const double const y, const double const ydot)
	This function may be used to create output at various points in the execution of an application.

virtual void	user_out (const int ifunc, const double t, const double y, const double ydot)
	This function may be used to create output at various points in the execution of an application.

virtual int	matrixConditioning (double const matrix, const int nrows, double const rhs)
	Multiply the matrix by another matrix that leads to better conditioning.

virtual int	evalJacobian (const double t, const double delta_t, double cj, const double const y, const double const ydot, DenseMatrix &J, double *const resid)
	Calculate an analytical Jacobian and the residual at the current time and values.

virtual int	evalJacobianDP (const double t, const double delta_t, double cj, const double const y, const double const ydot, double const jacobianColPts, double *const resid)
	Calculate an analytical Jacobian and the residual at the current time and values.

Public Member Functions inherited from ResidEval
virtual void	constrain (const int k, const int flag)
	Constrain solution component k.

int	constraint (const int k) const

virtual void	initSizes ()
	Initialization function.

virtual void	setAlgebraic (const int k)
	Specify that solution component k is purely algebraic - that is, the derivative of this component does not appear in the residual function.

virtual bool	isAlgebraic (const int k)

virtual int	eval (const double t, const double const y, const double const ydot, double *const r)
	Evaluate the residual function.

virtual int	evalSS (const double t, const double const y, double const r)

virtual int	evalSimpleTD (const double t, const double const y, const double const yold, double deltaT, double *const r)

virtual int	getInitialConditions (const double t0, double const y, double const ydot)
	Fill in the initial conditions.

virtual int	nEquations () const =0
	Return the number of equations in the equation system.

virtual void	writeSolution (int ievent, const double time, const double deltaT, const int time_step_num, const double y, const double ydot)
	Write out to a file or to standard output the current solution.

int	nparams () const
	Return the number of parameters in the calculation.

Protected Attributes
double	m_atol
	constant value of atol

int	neq_
	Number of equations.

Protected Attributes inherited from ResidEval
vector< int >	m_alg
	Mapping vector that stores whether a degree of freedom is a DAE or not.

map< int, int >	m_constrain

Constructor & Destructor Documentation

◆ ResidJacEval()

ResidJacEval ( double atol = 1.0e-13 )

Default constructor.

Parameters

atol	Initial value of the global tolerance (defaults to 1.0E-13)

Definition at line 12 of file ResidJacEval.cpp.

Member Function Documentation

◆ nEquations()

int nEquations ( ) const

overridevirtual

Return the number of equations in the equation system.

Implements ResidEval.

Definition at line 18 of file ResidJacEval.cpp.

◆ evalResidNJ()

int evalResidNJ	(	const double	t,
		const double	delta_t,
		const double *const	y,
		const double *const	ydot,
		double *const	resid,
		const ResidEval_Type_Enum	evalType = `Base_ResidEval`,
		const int	id_x = `-1`,
		const double	delta_x = `0.0`
	)

virtual

Evaluate the residual function.

Parameters

t	Time (input)
delta_t	The current value of the time step (input)
y	Solution vector (input, do not modify)
ydot	Rate of change of solution vector. (input, do not modify)
resid	Value of the residual that is computed (output)
evalType	Type of the residual being computed (defaults to Base_ResidEval)
id_x	Index of the variable that is being numerically differenced to find the Jacobian (defaults to -1, which indicates that no variable is being differenced or that the residual doesn't take this issue into account)
delta_x	Value of the delta used in the numerical differencing

Returns: a flag to indicate that operation is successful. 1 Means a successful operation -0 or neg value Means an unsuccessful operation

Definition at line 120 of file ResidJacEval.cpp.

◆ eval()

int eval	(	const double	t,
		const double *const	y,
		const double *const	ydot,
		double *const	r
	)

overridevirtual

Evaluate the residual function.

Called by the integrator.

Parameters

t	time. (input)
y	solution vector. (input)
ydot	rate of change of solution vector. (input)
r	residual vector (output)

Reimplemented from ResidEval.

Definition at line 129 of file ResidJacEval.cpp.

◆ getInitialConditions()

int getInitialConditions	(	const double	t0,
		double *const	y,
		double *const	ydot
	)

overridevirtual

Fill in the initial conditions.

Values for both the solution and the value of ydot may be provided.

Parameters

[in]	t0	Time
[out]	y	Solution vector
[out]	ydot	Rate of change of solution vector.

Returns: a flag to indicate that operation is successful. 1 Means a successful operation -0 or neg value Means an unsuccessful operation

Reimplemented from ResidEval.

Definition at line 32 of file ResidJacEval.cpp.

◆ filterNewStep()

double filterNewStep	(	const double	t,
		const double *const	ybase,
		double *const	step
	)

virtual

Filter the solution predictions.

Codes might provide a predicted step change. This routine filters the predicted solution vector eliminating illegal directions.

Parameters

t	Time (input)
ybase	Solution vector (input, output)
step	Proposed step in the solution that will be cropped

Returns: the norm of the amount of filtering

Definition at line 96 of file ResidJacEval.cpp.

◆ filterSolnPrediction()

double filterSolnPrediction	(	const double	t,
		double *const	y
	)

virtual

Filter the solution predictions.

Codes might provide a predicted solution vector. This routine filters the predicted solution vector.

Parameters

t	Time (input)
y	Solution vector (input, output)

Returns: the norm of the amount of filtering

Definition at line 101 of file ResidJacEval.cpp.

◆ setAtol()

void setAtol ( double atol )

Set a global value of the absolute tolerance.

Parameters

atol	Value of atol

Definition at line 23 of file ResidJacEval.cpp.

◆ evalTimeTrackingEqns()

int evalTimeTrackingEqns	(	const double	t,
		const double	delta_t,
		const double *const	y,
		const double *const	ydot
	)

virtual

Evaluate the time tracking equations, if any.

Evaluate time integrated quantities that are calculated at the end of every successful time step. This call is made once at the end of every successful time step that advances the time. It's also made once at the start of the time stepping.

Parameters

t	Time (input)
delta_t	The current value of the time step (input)
y	Solution vector (input, do not modify)
ydot	Rate of change of solution vector. (input, do not modify)

Returns: a flag to indicate that operation is successful. 1 Means a successful operation -0 or neg value Means an unsuccessful operation

Definition at line 58 of file ResidJacEval.cpp.

◆ evalStoppingCritera()

bool evalStoppingCritera	(	const double	t,
		const double	delta_t,
		const double *const	y,
		const double *const	ydot
	)

virtual

Evaluate any stopping criteria other than a final time limit.

If we are to stop the time integration for any reason other than reaching a final time limit, tout, provide a test here. This call is made at the end of every successful time step iteration

Returns: If true, the the time stepping is stopped. If false, then time stepping is stopped if t >= tout Defaults to false.

Parameters

t	Time (input)
delta_t	The current value of the time step (input)
y	Solution vector (input, do not modify)
ydot	Rate of change of solution vector. (input, do not modify)

Definition at line 106 of file ResidJacEval.cpp.

◆ calcDeltaSolnVariables()

int calcDeltaSolnVariables	(	const double	t,
		const double *const	y,
		const double *const	ydot,
		double *const	delta_y,
		const double *const	solnWeights = `0`
	)

virtual

Return a vector of delta y's for calculation of the numerical Jacobian.

There is a default algorithm provided.

delta_y[i] = atol[i] + 1.0E-6 ysoln[i]
delta_y[i] = atol[i] + MAX(1.0E-6 ysoln[i] * 0.01 * solnWeights[i])

Parameters

t	Time (input)
y	Solution vector (input, do not modify)
ydot	Rate of change of solution vector. (input, do not modify)
delta_y	Value of the delta to be used in calculating the numerical Jacobian
solnWeights	Value of the solution weights that are used in determining convergence (default = 0)

Returns: a flag to indicate that operation is successful. 1 Means a successful operation -0 or neg value Means an unsuccessful operation

Definition at line 66 of file ResidJacEval.cpp.

◆ calcSolnScales()

void calcSolnScales	(	const double	t,
		const double *const	y,
		const double *const	y_old,
		double *const	yScales
	)

virtual

Returns a vector of column scale factors that can be used to column scale Jacobians.

Default to yScales[] = 1.0

Parameters

t	Time (input)
y	Solution vector (input, do not modify)
y_old	Old Solution vector (input, do not modify)
yScales	Value of the column scales

Definition at line 84 of file ResidJacEval.cpp.

◆ user_out2()

void user_out2	(	const int	ifunc,
		const double	t,
		const double	delta_t,
		const double *const	y,
		const double *const	ydot
	)

virtual

This function may be used to create output at various points in the execution of an application.

Parameters

ifunc	identity of the call 0 Initial call 1 Called at the end of every successful time step -1 Called at the end of every unsuccessful time step 2 Called at the end of every call to integrateRJE()
t	Time (input)
delta_t	The current value of the time step (input)
y	Solution vector (input, do not modify)
ydot	Rate of change of solution vector. (input)

Definition at line 46 of file ResidJacEval.cpp.

◆ user_out()

void user_out	(	const int	ifunc,
		const double	t,
		const double *	y,
		const double *	ydot
	)

virtual

This function may be used to create output at various points in the execution of an application.

This routine calls user_out2().

Parameters

ifunc	identity of the call
t	Time (input)
y	Solution vector (input, do not modify)
ydot	Rate of change of solution vector. (input)

Definition at line 52 of file ResidJacEval.cpp.

◆ matrixConditioning()

int matrixConditioning	(	double *const	matrix,
		const int	nrows,
		double *const	rhs
	)

virtual

Multiply the matrix by another matrix that leads to better conditioning.

Provide a left sided matrix that will multiply the current Jacobian, after scaling and lead to a better conditioned system. This routine is called just before the matrix is factored.

Original Problem: J delta_x = - Resid

New problem: M (J delta_x) = - M Resid

Parameters

matrix	Pointer to the current Jacobian (if zero, it's already been factored)
nrows	offsets for the matrix
rhs	residual vector. This also needs to be LHS multiplied by M

Returns: a flag to indicate that operation is successful. 1 Means a successful operation -0 or neg value Means an unsuccessful operation

Definition at line 114 of file ResidJacEval.cpp.

◆ evalJacobian()

int evalJacobian	(	const double	t,
		const double	delta_t,
		double	cj,
		const double *const	y,
		const double *const	ydot,
		DenseMatrix &	J,
		double *const	resid
	)

virtual

Calculate an analytical Jacobian and the residual at the current time and values.

Only called if the jacFormation method is set to analytical

Parameters

t	Time (input)
delta_t	The current value of the time step (input)
cj	Coefficient of yprime used in the evaluation of the Jacobian
y	Solution vector (input, do not modify)
ydot	Rate of change of solution vector. (input, do not modify)
J	Reference to the DenseMatrix object to be calculated (output)
resid	Value of the residual that is computed (output)

Returns: a flag to indicate that operation is successful. 1 Means a successful operation -0 or neg value Means an unsuccessful operation

Definition at line 136 of file ResidJacEval.cpp.

◆ evalJacobianDP()

int evalJacobianDP	(	const double	t,
		const double	delta_t,
		double	cj,
		const double *const	y,
		const double *const	ydot,
		double const	jacobianColPts,
		double *const	resid
	)

virtual

Calculate an analytical Jacobian and the residual at the current time and values.

Only called if the jacFormation method is set to analytical

Parameters

t	Time (input)
delta_t	The current value of the time step (input)
cj	Coefficient of yprime used in the evaluation of the Jacobian
y	Solution vector (input, do not modify)
ydot	Rate of change of solution vector. (input, do not modify)
jacobianColPts	Pointer to the vector of pts to columns of the DenseMatrix object to be calculated (output)
resid	Value of the residual that is computed (output)

Returns: a flag to indicate that operation is successful. 1 Means a successful operation -0 or neg value Means an unsuccessful operation

Definition at line 145 of file ResidJacEval.cpp.

Member Data Documentation

◆ m_atol

double m_atol

protected

constant value of atol

Definition at line 304 of file ResidJacEval.h.

◆ neq_

int neq_

protected

Number of equations.

Definition at line 307 of file ResidJacEval.h.

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

Detailed Description

Public Member Functions

Protected Attributes

Constructor & Destructor Documentation

◆ ResidJacEval()

Member Function Documentation

◆ nEquations()

◆ evalResidNJ()

◆ eval()

◆ getInitialConditions()

◆ filterNewStep()

◆ filterSolnPrediction()

◆ setAtol()

◆ evalTimeTrackingEqns()

◆ evalStoppingCritera()

◆ calcDeltaSolnVariables()

◆ calcSolnScales()

◆ user_out2()

◆ user_out()

◆ matrixConditioning()

◆ evalJacobian()

◆ evalJacobianDP()

Member Data Documentation

◆ m_atol

◆ neq_