Wrapper class for 'cvodes' integrator from LLNL. More...

#include <CVodesIntegrator.h>

Inheritance diagram for CVodesIntegrator:

Collaboration diagram for CVodesIntegrator:

Public Member Functions
	CVodesIntegrator ()
	Constructor. More...

virtual void	setTolerances (double reltol, size_t n, double *abstol)
	Set error tolerances. More...

virtual void	setTolerances (double reltol, double abstol)
	Set error tolerances. More...

virtual void	setSensitivityTolerances (double reltol, double abstol)
	Set the sensitivity error tolerances. More...

virtual void	setProblemType (int probtype)
	Set the problem type. More...

virtual void	initialize (double t0, FuncEval &func)
	Initialize the integrator for a new problem. More...

virtual void	reinitialize (double t0, FuncEval &func)

virtual void	integrate (double tout)
	Integrate the system of equations. More...

virtual doublereal	step (double tout)
	Integrate the system of equations. More...

virtual double &	solution (size_t k)
	The current value of the solution of equation k. More...

virtual double *	solution ()
	The current value of the solution of the system of equations. More...

virtual double *	derivative (double tout, int n)
	n-th derivative of the output function at time tout. More...

virtual int	lastOrder () const
	Order used during the last solution step. More...

virtual int	nEquations () const
	The number of equations. More...

virtual int	nEvals () const
	The number of function evaluations. More...

virtual void	setMaxOrder (int n)
	Set the maximum integration order that will be used. More...

virtual void	setMethod (MethodType t)
	Set the solution method. More...

virtual void	setMaxStepSize (double hmax)
	Set the maximum step size. More...

virtual void	setMinStepSize (double hmin)
	Set the minimum step size. More...

virtual void	setMaxSteps (int nmax)
	Set the maximum number of time-steps the integrator can take before reaching the next output time. More...

virtual int	maxSteps ()
	Returns the maximum number of time-steps the integrator can take before reaching the next output time. More...

virtual void	setMaxErrTestFails (int n)
	Set the maximum permissible number of error test failures. More...

virtual void	setBandwidth (int N_Upper, int N_Lower)

virtual int	nSensParams ()

virtual double	sensitivity (size_t k, size_t p)

virtual std::string	getErrorInfo (int N)
	Returns a string listing the weighted error estimates associated with each solution component. More...

Public Member Functions inherited from Integrator
	Integrator ()
	Default Constructor. More...

virtual	~Integrator ()
	Destructor. More...

Public Attributes
std::string	m_error_message
	Error message information provide by CVodes. More...

Protected Member Functions
void	applyOptions ()
	Applies user-specified options to the underlying CVODES solver. More...

Private Member Functions
void	sensInit (double t0, FuncEval &func)

Private Attributes
size_t	m_neq

void *	m_cvode_mem

SundialsContext	m_sundials_ctx
	SUNContext object for Sundials>=6.0. More...

void *	m_linsol
	Sundials linear solver object. More...

void *	m_linsol_matrix
	matrix used by Sundials More...

FuncEval *	m_func

double	m_t0

double	m_time
	The current integrator time. More...

N_Vector	m_y

N_Vector	m_abstol

N_Vector	m_dky

int	m_type

int	m_itol

int	m_method

int	m_maxord

double	m_reltol

double	m_abstols

double	m_reltolsens

double	m_abstolsens

size_t	m_nabs

double	m_hmax

double	m_hmin

int	m_maxsteps

int	m_maxErrTestFails

N_Vector *	m_yS

size_t	m_np

int	m_mupper

int	m_mlower

bool	m_sens_ok
	Indicates whether the sensitivities stored in m_yS have been updated for at the current integrator time. More...

Detailed Description

Wrapper class for 'cvodes' integrator from LLNL.

See also: FuncEval.h. Classes that use CVodesIntegrator: ImplicitChem, ImplicitSurfChem, Reactor

Definition at line 26 of file CVodesIntegrator.h.

Constructor & Destructor Documentation

◆ CVodesIntegrator()

CVodesIntegrator ( )

Constructor.

Default settings: dense Jacobian, no user-supplied Jacobian function, Newton iteration.

Definition at line 92 of file CVodesIntegrator.cpp.

◆ ~CVodesIntegrator()

~CVodesIntegrator ( )

virtual

Definition at line 122 of file CVodesIntegrator.cpp.

Member Function Documentation

◆ setTolerances() [1/2]

void setTolerances	(	double	reltol,
		size_t	n,
		double *	abstol
	)

virtual

Set error tolerances.

Parameters

reltol	scalar relative tolerance
n	Number of equations
abstol	array of N absolute tolerance values

Reimplemented from Integrator.

Definition at line 165 of file CVodesIntegrator.cpp.

◆ setTolerances() [2/2]

void setTolerances	(	double	reltol,
		double	abstol
	)

virtual

Set error tolerances.

Parameters

reltol	scalar relative tolerance
abstol	scalar absolute tolerance

Reimplemented from Integrator.

Definition at line 181 of file CVodesIntegrator.cpp.

◆ setSensitivityTolerances()

void setSensitivityTolerances	(	double	reltol,
		double	abstol
	)

virtual

Set the sensitivity error tolerances.

Parameters

reltol	scalar relative tolerance
abstol	scalar absolute tolerance

Reimplemented from Integrator.

Definition at line 188 of file CVodesIntegrator.cpp.

◆ setProblemType()

void setProblemType ( int probtype )

virtual

Set the problem type.

Parameters

probtype Type of the problem

Reimplemented from Integrator.

Definition at line 194 of file CVodesIntegrator.cpp.

◆ initialize()

void initialize	(	double	t0,
		FuncEval &	func
	)

virtual

Initialize the integrator for a new problem.

Call after all options have been set.

Parameters

t0	initial time
func	RHS evaluator object for system of equations.

Reimplemented from Integrator.

Definition at line 278 of file CVodesIntegrator.cpp.

References FuncEval::clearErrors(), CVodesIntegrator::m_sundials_ctx, CVodesIntegrator::m_time, and FuncEval::neq().

◆ reinitialize()

void reinitialize	(	double	t0,
		FuncEval &	func
	)

virtual

Reimplemented from Integrator.

Definition at line 373 of file CVodesIntegrator.cpp.

◆ integrate()

void integrate ( double tout )

virtual

Integrate the system of equations.

Parameters

tout	Integrate to this time. Note that this is the absolute time value, not a time interval.

Reimplemented from Integrator.

Definition at line 526 of file CVodesIntegrator.cpp.

References CVodesIntegrator::getErrorInfo(), FuncEval::getErrors(), CVodesIntegrator::m_error_message, CVodesIntegrator::m_sens_ok, and CVodesIntegrator::m_time.

◆ step()

double step ( double tout )

virtual

Integrate the system of equations.

Parameters

tout	integrate to this time. Note that this is the absolute time value, not a time interval.

Reimplemented from Integrator.

Definition at line 546 of file CVodesIntegrator.cpp.

References CVodesIntegrator::getErrorInfo(), FuncEval::getErrors(), CVodesIntegrator::m_error_message, CVodesIntegrator::m_sens_ok, and CVodesIntegrator::m_time.

◆ solution() [1/2]

double & solution ( size_t k )

virtual

The current value of the solution of equation k.

Reimplemented from Integrator.

Definition at line 155 of file CVodesIntegrator.cpp.

◆ solution() [2/2]

double * solution ( )

virtual

The current value of the solution of the system of equations.

Reimplemented from Integrator.

Definition at line 160 of file CVodesIntegrator.cpp.

◆ derivative()

double * derivative	(	double	tout,
		int	n
	)

virtual

n-th derivative of the output function at time tout.

Reimplemented from Integrator.

Definition at line 565 of file CVodesIntegrator.cpp.

References FuncEval::getErrors(), and CVodesIntegrator::m_error_message.

◆ lastOrder()

int lastOrder ( ) const

virtual

Order used during the last solution step.

Reimplemented from Integrator.

Definition at line 581 of file CVodesIntegrator.cpp.

◆ nEquations()

virtual int nEquations ( ) const

inlinevirtual

The number of equations.

Reimplemented from Integrator.

Definition at line 47 of file CVodesIntegrator.h.

◆ nEvals()

int nEvals ( ) const

virtual

The number of function evaluations.

Reimplemented from Integrator.

Definition at line 588 of file CVodesIntegrator.cpp.

◆ setMaxOrder()

virtual void setMaxOrder ( int n )

inlinevirtual

Set the maximum integration order that will be used.

Reimplemented from Integrator.

Definition at line 51 of file CVodesIntegrator.h.

◆ setMethod()

void setMethod ( MethodType t )

virtual

Set the solution method.

Reimplemented from Integrator.

Definition at line 199 of file CVodesIntegrator.cpp.

References Cantera::Adams_Method, and Cantera::BDF_Method.

◆ setMaxStepSize()

void setMaxStepSize ( double hmax )

virtual

Set the maximum step size.

Reimplemented from Integrator.

Definition at line 210 of file CVodesIntegrator.cpp.

◆ setMinStepSize()

void setMinStepSize ( double hmin )

virtual

Set the minimum step size.

Reimplemented from Integrator.

Definition at line 218 of file CVodesIntegrator.cpp.

◆ setMaxSteps()

void setMaxSteps ( int nmax )

virtual

Set the maximum number of time-steps the integrator can take before reaching the next output time.

Parameters

nmax	The maximum number of steps, setting this value to zero disables this option.

Reimplemented from Integrator.

Definition at line 226 of file CVodesIntegrator.cpp.

◆ maxSteps()

int maxSteps ( )

virtual

Returns the maximum number of time-steps the integrator can take before reaching the next output time.

Reimplemented from Integrator.

Definition at line 234 of file CVodesIntegrator.cpp.

◆ setMaxErrTestFails()

void setMaxErrTestFails ( int n )

virtual

Set the maximum permissible number of error test failures.

Reimplemented from Integrator.

Definition at line 239 of file CVodesIntegrator.cpp.

◆ setBandwidth()

virtual void setBandwidth	(	int	N_Upper,
		int	N_Lower
	)

inlinevirtual

Reimplemented from Integrator.

Definition at line 60 of file CVodesIntegrator.h.

◆ nSensParams()

virtual int nSensParams ( )

inlinevirtual

Reimplemented from Integrator.

Definition at line 64 of file CVodesIntegrator.h.

◆ sensitivity()

double sensitivity	(	size_t	k,
		size_t	p
	)

virtual

Reimplemented from Integrator.

Definition at line 595 of file CVodesIntegrator.cpp.

◆ getErrorInfo()

string getErrorInfo ( int N )

virtual

Returns a string listing the weighted error estimates associated with each solution component.

This information can be used to identify which variables are responsible for integrator failures or unexpected small timesteps.

Definition at line 621 of file CVodesIntegrator.cpp.

References CVodesIntegrator::m_sundials_ctx.

Referenced by CVodesIntegrator::integrate(), and CVodesIntegrator::step().

◆ applyOptions()

void applyOptions ( )

protected

Applies user-specified options to the underlying CVODES solver.

Called during integrator initialization or reinitialization.

Definition at line 389 of file CVodesIntegrator.cpp.

References CVodesIntegrator::m_linsol, CVodesIntegrator::m_linsol_matrix, and CVodesIntegrator::m_sundials_ctx.

◆ sensInit()

void sensInit	(	double	t0,
		FuncEval &	func
	)

private

Definition at line 247 of file CVodesIntegrator.cpp.

Member Data Documentation

◆ m_error_message

std::string m_error_message

Error message information provide by CVodes.

Definition at line 76 of file CVodesIntegrator.h.

Referenced by Cantera::cvodes_err(), CVodesIntegrator::derivative(), CVodesIntegrator::integrate(), and CVodesIntegrator::step().

◆ m_neq

size_t m_neq

private

Definition at line 86 of file CVodesIntegrator.h.

◆ m_cvode_mem

void* m_cvode_mem

private

Definition at line 87 of file CVodesIntegrator.h.

◆ m_sundials_ctx

SundialsContext m_sundials_ctx

private

SUNContext object for Sundials>=6.0.

Definition at line 88 of file CVodesIntegrator.h.

Referenced by CVodesIntegrator::applyOptions(), CVodesIntegrator::getErrorInfo(), and CVodesIntegrator::initialize().

◆ m_linsol

void* m_linsol

private

Sundials linear solver object.

Definition at line 89 of file CVodesIntegrator.h.

Referenced by CVodesIntegrator::applyOptions().

◆ m_linsol_matrix

void* m_linsol_matrix

private

matrix used by Sundials

Definition at line 90 of file CVodesIntegrator.h.

Referenced by CVodesIntegrator::applyOptions().

◆ m_func

FuncEval* m_func

private

Definition at line 91 of file CVodesIntegrator.h.

◆ m_t0

double m_t0

private

Definition at line 92 of file CVodesIntegrator.h.

◆ m_time

double m_time

private

The current integrator time.

Definition at line 93 of file CVodesIntegrator.h.

Referenced by CVodesIntegrator::initialize(), CVodesIntegrator::integrate(), and CVodesIntegrator::step().

◆ m_y

N_Vector m_y

private

Definition at line 94 of file CVodesIntegrator.h.

◆ m_abstol

N_Vector m_abstol

private

Definition at line 94 of file CVodesIntegrator.h.

◆ m_dky

N_Vector m_dky

private

Definition at line 95 of file CVodesIntegrator.h.

◆ m_type

int m_type

private

Definition at line 96 of file CVodesIntegrator.h.

◆ m_itol

int m_itol

private

Definition at line 97 of file CVodesIntegrator.h.

◆ m_method

int m_method

private

Definition at line 98 of file CVodesIntegrator.h.

◆ m_maxord

int m_maxord

private

Definition at line 99 of file CVodesIntegrator.h.

◆ m_reltol

double m_reltol

private

Definition at line 100 of file CVodesIntegrator.h.

◆ m_abstols

double m_abstols

private

Definition at line 101 of file CVodesIntegrator.h.

◆ m_reltolsens

double m_reltolsens

private

Definition at line 102 of file CVodesIntegrator.h.

◆ m_abstolsens

double m_abstolsens

private

Definition at line 102 of file CVodesIntegrator.h.

◆ m_nabs

size_t m_nabs

private

Definition at line 103 of file CVodesIntegrator.h.

◆ m_hmax

double m_hmax

private

Definition at line 104 of file CVodesIntegrator.h.

◆ m_hmin

double m_hmin

private

Definition at line 104 of file CVodesIntegrator.h.

◆ m_maxsteps

int m_maxsteps

private

Definition at line 105 of file CVodesIntegrator.h.

◆ m_maxErrTestFails

int m_maxErrTestFails

private

Definition at line 106 of file CVodesIntegrator.h.

◆ m_yS

N_Vector* m_yS

private

Definition at line 107 of file CVodesIntegrator.h.

◆ m_np

size_t m_np

private

Definition at line 108 of file CVodesIntegrator.h.

◆ m_mupper

int m_mupper

private

Definition at line 109 of file CVodesIntegrator.h.

◆ m_mlower

int m_mlower

private

Definition at line 109 of file CVodesIntegrator.h.

◆ m_sens_ok

bool m_sens_ok

private

Indicates whether the sensitivities stored in m_yS have been updated for at the current integrator time.

Definition at line 113 of file CVodesIntegrator.h.

Referenced by CVodesIntegrator::integrate(), and CVodesIntegrator::step().

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

Public Member Functions

Public Attributes

Protected Member Functions

Private Member Functions

Private Attributes

Detailed Description

Constructor & Destructor Documentation

◆ CVodesIntegrator()

◆ ~CVodesIntegrator()

Member Function Documentation

◆ setTolerances() [1/2]

◆ setTolerances() [2/2]

◆ setSensitivityTolerances()

◆ setProblemType()

◆ initialize()

◆ reinitialize()

◆ integrate()

◆ step()

◆ solution() [1/2]

◆ solution() [2/2]

◆ derivative()

◆ lastOrder()

◆ nEquations()

◆ nEvals()

◆ setMaxOrder()

◆ setMethod()

◆ setMaxStepSize()

◆ setMinStepSize()

◆ setMaxSteps()

◆ maxSteps()

◆ setMaxErrTestFails()

◆ setBandwidth()

◆ nSensParams()

◆ sensitivity()

◆ getErrorInfo()

◆ applyOptions()

◆ sensInit()

Member Data Documentation

◆ m_error_message

◆ m_neq

◆ m_cvode_mem

◆ m_sundials_ctx

◆ m_linsol

◆ m_linsol_matrix

◆ m_func

◆ m_t0

◆ m_time

◆ m_y

◆ m_abstol

◆ m_dky

◆ m_type

◆ m_itol

◆ m_method

◆ m_maxord

◆ m_reltol

◆ m_abstols

◆ m_reltolsens

◆ m_abstolsens

◆ m_nabs

◆ m_hmax

◆ m_hmin

◆ m_maxsteps

◆ m_maxErrTestFails

◆ m_yS

◆ m_np

◆ m_mupper

◆ m_mlower

◆ m_sens_ok