Container class for multiple-domain 1D problems. More...

#include <OneDim.h>

Inheritance diagram for OneDim:

Collaboration diagram for OneDim:

Public Member Functions
	OneDim (std::vector< Domain1D *> domains)
	Construct a OneDim container for the domains in the list domains. More...

	OneDim (const OneDim &)=delete

OneDim &	operator= (const OneDim &)=delete

void	addDomain (Domain1D *d)
	Add a domain. Domains are added left-to-right. More...

MultiJac &	jacobian ()
	Return a reference to the Jacobian evaluator. More...

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

int	solve (doublereal x0, doublereal x1, int loglevel)
	Solve F(x) = 0, where F(x) is the multi-domain residual function. More...

size_t	nDomains () const
	Number of domains. More...

Domain1D &	domain (size_t i) const
	Return a reference to domain i. More...

size_t	domainIndex (const std::string &name)

void	checkDomainIndex (size_t n) const
	Check that the specified domain index is in range. More...

void	checkDomainArraySize (size_t nn) const
	Check that an array size is at least nDomains(). More...

size_t	start (size_t i) const
	The index of the start of domain i in the solution vector. More...

size_t	size () const
	Total solution vector length;. More...

Domain1D *	left ()
	Pointer to left-most domain (first added). More...

Domain1D *	right ()
	Pointer to right-most domain (last added). More...

size_t	nVars (size_t jg)
	Number of solution components at global point jg. More...

size_t	loc (size_t jg)
	Location in the solution vector of the first component of global point jg. More...

std::tuple< std::string, size_t, std::string >	component (size_t i)
	Return the domain, local point index, and component name for the i-th component of the global solution vector. More...

size_t	bandwidth () const
	Jacobian bandwidth. More...

void	init ()

size_t	points ()
	Total number of points. More...

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

doublereal	rdt () const
	Reciprocal of the time step. More...

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

bool	transient () const
	True if transient mode. More...

bool	steady () const
	True if steady mode. More...

void	setSteadyMode ()

void	eval (size_t j, double x, double r, doublereal rdt=-1.0, int count=1)
	Evaluate the multi-domain residual function. More...

Domain1D *	pointDomain (size_t i)
	Return a pointer to the domain global point i belongs to. More...

virtual void	resize ()
	Call after one or more grids has changed size, e.g. after being refined. More...

vector_int &	transientMask ()

double	timeStep (int nsteps, double dt, double x, double r, int loglevel)

void	resetBadValues (double *x)

void	writeStats (int printTime=1)
	Write statistics about the number of iterations and Jacobians at each grid level. More...

void	save (const std::string &fname, std::string id, const std::string &desc, doublereal *sol, int loglevel)

void	setMinTimeStep (doublereal tmin)

void	setMaxTimeStep (doublereal tmax)

void	setTimeStepFactor (doublereal tfactor)

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

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

void	setJacAge (int ss_age, int ts_age=-1)

void	saveStats ()
	Save statistics on function and Jacobian evaluation, and reset the counters. More...

void	clearStats ()
	Clear saved statistics. More...

const std::vector< size_t > &	gridSizeStats ()
	Return total grid size in each call to solve() More...

const vector_fp &	jacobianTimeStats ()
	Return CPU time spent evaluating Jacobians in each call to solve() More...

const vector_fp &	evalTimeStats ()
	Return CPU time spent on non-Jacobian function evaluations in each call to solve() More...

const vector_int &	jacobianCountStats ()
	Return number of Jacobian evaluations made in each call to solve() More...

const vector_int &	evalCountStats ()
	Return number of non-Jacobian function evaluations made in each call to solve() More...

const vector_int &	timeStepStats ()
	Return number of time steps taken in each call to solve() More...

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

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

Protected Member Functions
void	evalSSJacobian (doublereal x, doublereal xnew)

Protected Attributes
doublereal	m_tmin
	minimum timestep size More...

doublereal	m_tmax
	maximum timestep size More...

doublereal	m_tfactor
	factor time step is multiplied by if time stepping fails ( < 1 ) More...

std::unique_ptr< MultiJac >	m_jac
	Jacobian evaluator. More...

std::unique_ptr< MultiNewton >	m_newt
	Newton iterator. More...

doublereal	m_rdt
	reciprocal of time step More...

bool	m_jac_ok
	if true, Jacobian is current More...

size_t	m_bw
	Jacobian bandwidth. More...

size_t	m_size
	solution vector size More...

std::vector< Domain1D * >	m_dom

std::vector< Domain1D * >	m_connect

std::vector< Domain1D * >	m_bulk

bool	m_init

std::vector< size_t >	m_nvars

std::vector< size_t >	m_loc

vector_int	m_mask

size_t	m_pts

doublereal	m_solve_time

int	m_ss_jac_age

int	m_ts_jac_age

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

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

int	m_nsteps
	Number of time steps taken in the current call to solve() More...

int	m_nsteps_max
	Maximum number of timesteps allowed per call to solve() More...

Private Attributes
int	m_nevals

doublereal	m_evaltime

std::vector< size_t >	m_gridpts

vector_int	m_jacEvals

vector_fp	m_jacElapsed

vector_int	m_funcEvals

vector_fp	m_funcElapsed

vector_int	m_timeSteps
	Number of time steps taken in each call to solve() (e.g. More...

Detailed Description

Container class for multiple-domain 1D problems.

Each domain is represented by an instance of Domain1D.

Definition at line 25 of file OneDim.h.

Constructor & Destructor Documentation

◆ OneDim()

OneDim ( std::vector< Domain1D *> domains )

Construct a OneDim container for the domains in the list domains.

Definition at line 32 of file OneDim.cpp.

References OneDim::addDomain(), OneDim::init(), OneDim::m_newt, and OneDim::resize().

Member Function Documentation

◆ addDomain()

void addDomain ( Domain1D * d )

Add a domain. Domains are added left-to-right.

Definition at line 79 of file OneDim.cpp.

References OneDim::resize(), and Domain1D::setContainer().

Referenced by OneDim::OneDim().

◆ jacobian()

MultiJac & jacobian ( )

Return a reference to the Jacobian evaluator.

Definition at line 101 of file OneDim.cpp.

References OneDim::m_jac.

Referenced by Domain1D::needJacUpdate().

◆ newton()

MultiNewton & newton ( )

Return a reference to the Newton iterator.

Definition at line 105 of file OneDim.cpp.

References OneDim::m_newt.

Referenced by OneDim::timeStep().

◆ solve()

int solve	(	doublereal *	x0,
		doublereal *	x1,
		int	loglevel
	)

Solve F(x) = 0, where F(x) is the multi-domain residual function.

Parameters

x0	Starting estimate of solution.
x1	Final solution satisfying F(x1) = 0.
loglevel	Controls amount of diagnostic output.

Definition at line 224 of file OneDim.cpp.

References OneDim::eval(), OneDim::m_jac, OneDim::m_jac_ok, OneDim::m_newt, OneDim::m_rdt, and Cantera::npos.

Referenced by Sim1D::newtonSolve(), and OneDim::timeStep().

◆ nDomains()

size_t nDomains ( ) const

inline

Number of domains.

Definition at line 54 of file OneDim.h.

Referenced by MultiNewton::boundStep(), OneDim::component(), Sim1D::finalize(), MultiNewton::norm2(), Sim1D::refine(), OneDim::resize(), Sim1D::restore(), Sim1D::restoreSteadySolution(), Sim1D::setFixedTemperature(), Sim1D::setGridMin(), Sim1D::setInitialGuess(), Sim1D::setMaxGridPoints(), Sim1D::setRefineCriteria(), Sim1D::showSolution(), Sim1D::Sim1D(), and MultiNewton::step().

◆ domain()

Domain1D& domain ( size_t i ) const

inline

Return a reference to domain i.

Definition at line 59 of file OneDim.h.

Referenced by MultiNewton::boundStep(), OneDim::component(), Sim1D::finalize(), Sim1D::getRefineCriteria(), Sim1D::maxGridPoints(), MultiNewton::norm2(), Sim1D::refine(), Sim1D::restore(), Sim1D::restoreSteadySolution(), Sim1D::setFixedTemperature(), Sim1D::setFlatProfile(), Sim1D::setGridMin(), Sim1D::setInitialGuess(), Sim1D::setMaxGridPoints(), Sim1D::setProfile(), Sim1D::setRefineCriteria(), Sim1D::setValue(), Sim1D::showSolution(), Sim1D::Sim1D(), MultiNewton::step(), and Sim1D::value().

◆ checkDomainIndex()

void checkDomainIndex ( size_t n ) const

inline

Check that the specified domain index is in range.

Throws an exception if n is greater than nDomains()-1

Definition at line 67 of file OneDim.h.

◆ checkDomainArraySize()

void checkDomainArraySize ( size_t nn ) const

inline

Check that an array size is at least nDomains().

Throws an exception if nn is less than nDomains(). Used before calls which take an array pointer.

Definition at line 76 of file OneDim.h.

◆ start()

size_t start ( size_t i ) const

inline

The index of the start of domain i in the solution vector.

Definition at line 83 of file OneDim.h.

Referenced by MultiNewton::boundStep(), OneDim::component(), Sim1D::finalize(), MultiNewton::norm2(), Sim1D::refine(), Sim1D::showSolution(), Sim1D::Sim1D(), and MultiNewton::step().

◆ size()

size_t size ( ) const

inline

Total solution vector length;.

Definition at line 88 of file OneDim.h.

References OneDim::m_size.

Referenced by MultiNewton::norm2(), OneDim::resize(), Sim1D::resize(), and MultiNewton::step().

◆ left()

Domain1D* left ( )

inline

Pointer to left-most domain (first added).

Definition at line 93 of file OneDim.h.

Referenced by OneDim::init(), OneDim::initTimeInteg(), and OneDim::setSteadyMode().

◆ right()

Domain1D* right ( )

inline

Pointer to right-most domain (last added).

Definition at line 98 of file OneDim.h.

Referenced by OneDim::pointDomain().

◆ nVars()

size_t nVars ( size_t jg )

inline

Number of solution components at global point jg.

Definition at line 103 of file OneDim.h.

Referenced by MultiJac::eval().

◆ loc()

size_t loc ( size_t jg )

inline

Location in the solution vector of the first component of global point jg.

Definition at line 109 of file OneDim.h.

Referenced by MultiJac::eval(), and Sim1D::restore().

◆ component()

std::tuple< std::string, size_t, std::string > component ( size_t i )

Return the domain, local point index, and component name for the i-th component of the global solution vector.

Definition at line 65 of file OneDim.cpp.

References Domain1D::componentName(), OneDim::domain(), Domain1D::nComponents(), OneDim::nDomains(), Cantera::npos, and OneDim::start().

Referenced by Sim1D::setInitialGuess().

◆ bandwidth()

size_t bandwidth ( ) const

inline

Jacobian bandwidth.

Definition at line 118 of file OneDim.h.

References OneDim::m_bw.

◆ init()

void init ( )

Initialize all domains. On the first call, this methods calls the init method of each domain, proceeding from left to right. Subsequent calls do nothing.

Definition at line 336 of file OneDim.cpp.

References Domain1D::init(), OneDim::left(), and Domain1D::right().

Referenced by OneDim::OneDim().

◆ points()

size_t points ( )

inline

Total number of points.

Definition at line 130 of file OneDim.h.

◆ ssnorm()

doublereal ssnorm	(	doublereal *	x,
		doublereal *	r
	)

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

On return, array r contains the steady-state residual values. Used only for diagnostic output.

Definition at line 290 of file OneDim.cpp.

References OneDim::eval(), OneDim::m_size, and Cantera::npos.

Referenced by MultiNewton::solve(), and OneDim::timeStep().

◆ rdt()

doublereal rdt ( ) const

inline

Reciprocal of the time step.

Definition at line 142 of file OneDim.h.

References OneDim::m_rdt.

Referenced by OneDim::eval(), and MultiNewton::solve().

◆ initTimeInteg()

void initTimeInteg	(	doublereal	dt,
		doublereal *	x
	)

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

Definition at line 300 of file OneDim.cpp.

References Domain1D::initTimeInteg(), OneDim::left(), OneDim::m_jac, OneDim::m_rdt, Domain1D::right(), and Cantera::Tiny.

Referenced by OneDim::timeStep().

◆ transient()

bool transient ( ) const

inline

True if transient mode.

Definition at line 150 of file OneDim.h.

References OneDim::m_rdt.

◆ steady()

bool steady ( ) const

inline

True if steady mode.

Definition at line 155 of file OneDim.h.

References OneDim::m_rdt.

◆ setSteadyMode()

void setSteadyMode ( )

Prepare to solve the steady-state problem. After invoking this method, subsequent calls to solve() will solve the steady-state problem. Sets the reciprocal of the time step to zero, and, if it was previously non- zero, signals that a new Jacobian will be needed.

Definition at line 319 of file OneDim.cpp.

References OneDim::left(), OneDim::m_jac, OneDim::m_rdt, Domain1D::right(), and Domain1D::setSteadyMode().

◆ eval()

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

Evaluate the multi-domain residual function.

Parameters

j	if j != npos, only evaluate residual for points j-1, j, and j + 1; otherwise, evaluate at all grid points.
x	solution vector
r	on return, contains the residual vector
rdt	Reciprocal of the time step. if omitted, then the default value is used.
count	Set to zero to omit this call from the statistics

Definition at line 258 of file OneDim.cpp.

References Func1::eval(), OneDim::m_interrupt, OneDim::m_rdt, OneDim::m_size, Cantera::npos, and OneDim::rdt().

Referenced by MultiJac::eval(), OneDim::solve(), MultiNewton::solve(), OneDim::ssnorm(), and MultiNewton::step().

◆ pointDomain()

Domain1D * pointDomain ( size_t i )

Return a pointer to the domain global point i belongs to.

The domains are scanned right-to-left, and the first one with starting location less or equal to i is returned.

Definition at line 246 of file OneDim.cpp.

References Domain1D::left(), Domain1D::loc(), and OneDim::right().

◆ resize()

void resize ( )

virtual

Call after one or more grids has changed size, e.g. after being refined.

Reimplemented in Sim1D.

Definition at line 168 of file OneDim.cpp.

References Domain1D::bandwidth(), Domain1D::loc(), OneDim::m_bw, OneDim::m_jac, OneDim::m_jac_ok, OneDim::m_newt, OneDim::m_size, Domain1D::nComponents(), OneDim::nDomains(), Domain1D::nPoints(), Cantera::npos, OneDim::saveStats(), and OneDim::size().

Referenced by OneDim::addDomain(), OneDim::OneDim(), and Sim1D::resize().

◆ timeStep()

doublereal timeStep	(	int	nsteps,
		double	dt,
		double *	x,
		double *	r,
		int	loglevel
	)

Take time steps using Backward Euler.

Parameters

nsteps	number of steps
dt	initial step size
x	current solution vector
r	solution vector after time stepping
loglevel	controls amount of printed diagnostics

Returns: size of last timestep taken

Definition at line 348 of file OneDim.cpp.

References Cantera::debuglog(), Func1::eval(), OneDim::initTimeInteg(), OneDim::m_nsteps, OneDim::m_nsteps_max, OneDim::m_size, OneDim::m_tfactor, OneDim::m_time_step_callback, OneDim::m_tmax, OneDim::m_tmin, OneDim::newton(), MultiNewton::setOptions(), OneDim::solve(), OneDim::ssnorm(), and Cantera::writelog().

◆ writeStats()

void writeStats ( int printTime = 1 )

Write statistics about the number of iterations and Jacobians at each grid level.

Parameters

printTime Boolean that indicates whether time should be printed out The default is true. It's turned off for test problems where we don't want to print any times

Definition at line 120 of file OneDim.cpp.

References OneDim::m_timeSteps, OneDim::saveStats(), and Cantera::writelog().

◆ setMaxTimeStepCount()

void setMaxTimeStepCount ( int nmax )

inline

Set the maximum number of timeteps allowed before successful steady-state solve.

Definition at line 235 of file OneDim.h.

References OneDim::m_nsteps_max.

◆ maxTimeStepCount()

int maxTimeStepCount ( ) const

inline

Return the maximum number of timeteps allowed before successful steady-state solve.

Definition at line 241 of file OneDim.h.

References OneDim::m_nsteps_max.

◆ saveStats()

void saveStats ( )

Save statistics on function and Jacobian evaluation, and reset the counters.

Statistics are saved only if the number of Jacobian evaluations is greater than zero. The statistics saved are:

number of grid points
number of Jacobian evaluations
CPU time spent evaluating Jacobians
number of non-Jacobian function evaluations
CPU time spent evaluating functions
number of time steps

Definition at line 137 of file OneDim.cpp.

References OneDim::m_jac, OneDim::m_nsteps, and OneDim::m_timeSteps.

Referenced by OneDim::evalCountStats(), OneDim::evalTimeStats(), OneDim::gridSizeStats(), OneDim::jacobianCountStats(), OneDim::jacobianTimeStats(), Domain1D::needJacUpdate(), OneDim::resize(), OneDim::timeStepStats(), and OneDim::writeStats().

◆ clearStats()

void clearStats ( )

Clear saved statistics.

Definition at line 155 of file OneDim.cpp.

References OneDim::m_nsteps, and OneDim::m_timeSteps.

◆ gridSizeStats()

const std::vector<size_t>& gridSizeStats ( )

inline

Return total grid size in each call to solve()

Definition at line 265 of file OneDim.h.

References OneDim::saveStats().

◆ jacobianTimeStats()

const vector_fp& jacobianTimeStats ( )

inline

Return CPU time spent evaluating Jacobians in each call to solve()

Definition at line 271 of file OneDim.h.

References OneDim::saveStats().

◆ evalTimeStats()

const vector_fp& evalTimeStats ( )

inline

Return CPU time spent on non-Jacobian function evaluations in each call to solve()

Definition at line 278 of file OneDim.h.

References OneDim::saveStats().

◆ jacobianCountStats()

const vector_int& jacobianCountStats ( )

inline

Return number of Jacobian evaluations made in each call to solve()

Definition at line 284 of file OneDim.h.

References OneDim::saveStats().

◆ evalCountStats()

const vector_int& evalCountStats ( )

inline

Return number of non-Jacobian function evaluations made in each call to solve()

Definition at line 291 of file OneDim.h.

References OneDim::saveStats().

◆ timeStepStats()

const vector_int& timeStepStats ( )

inline

Return number of time steps taken in each call to solve()

Definition at line 297 of file OneDim.h.

References OneDim::m_timeSteps, and OneDim::saveStats().

◆ setInterrupt()

void setInterrupt ( Func1 * interrupt )

inline

Set a function that will be called every time eval is called.

Can be used to provide keyboard interrupt support in the high-level language interfaces.

Definition at line 305 of file OneDim.h.

References OneDim::m_interrupt.

◆ setTimeStepCallback()

void setTimeStepCallback ( Func1 * callback )

inline

Set a function that will be called after each successful timestep.

The function will be called with the size of the timestep as the argument. Intended to be used for observing solver progress for debugging purposes.

Definition at line 313 of file OneDim.h.

References OneDim::m_time_step_callback.

Member Data Documentation

◆ m_tmin

doublereal m_tmin

protected

minimum timestep size

Definition at line 320 of file OneDim.h.

Referenced by OneDim::timeStep().

◆ m_tmax

doublereal m_tmax

protected

maximum timestep size

Definition at line 321 of file OneDim.h.

Referenced by OneDim::timeStep().

◆ m_tfactor

doublereal m_tfactor

protected

factor time step is multiplied by if time stepping fails ( < 1 )

Definition at line 324 of file OneDim.h.

Referenced by OneDim::timeStep().

◆ m_jac

std::unique_ptr<MultiJac> m_jac

protected

Jacobian evaluator.

Definition at line 326 of file OneDim.h.

Referenced by OneDim::initTimeInteg(), OneDim::jacobian(), OneDim::resize(), OneDim::saveStats(), OneDim::setSteadyMode(), and OneDim::solve().

◆ m_newt

std::unique_ptr<MultiNewton> m_newt

protected

Newton iterator.

Definition at line 327 of file OneDim.h.

Referenced by OneDim::newton(), OneDim::OneDim(), OneDim::resize(), and OneDim::solve().

◆ m_rdt

doublereal m_rdt

protected

reciprocal of time step

Definition at line 328 of file OneDim.h.

Referenced by OneDim::eval(), OneDim::initTimeInteg(), OneDim::rdt(), OneDim::setSteadyMode(), OneDim::solve(), OneDim::steady(), and OneDim::transient().

◆ m_jac_ok

bool m_jac_ok

protected

if true, Jacobian is current

Definition at line 329 of file OneDim.h.

Referenced by OneDim::resize(), and OneDim::solve().

◆ m_bw

size_t m_bw

protected

Jacobian bandwidth.

Definition at line 331 of file OneDim.h.

Referenced by OneDim::bandwidth(), and OneDim::resize().

◆ m_size

size_t m_size

protected

solution vector size

Definition at line 332 of file OneDim.h.

Referenced by OneDim::eval(), OneDim::resize(), OneDim::size(), OneDim::ssnorm(), and OneDim::timeStep().

◆ m_interrupt

Func1* m_interrupt

protected

Function called at the start of every call to eval.

Definition at line 347 of file OneDim.h.

Referenced by OneDim::eval(), and OneDim::setInterrupt().

◆ m_time_step_callback

Func1* m_time_step_callback

protected

User-supplied function called after each successful timestep.

Definition at line 350 of file OneDim.h.

Referenced by OneDim::setTimeStepCallback(), and OneDim::timeStep().

◆ m_nsteps

int m_nsteps

protected

Number of time steps taken in the current call to solve()

Definition at line 353 of file OneDim.h.

Referenced by OneDim::clearStats(), OneDim::saveStats(), and OneDim::timeStep().

◆ m_nsteps_max

int m_nsteps_max

protected

Maximum number of timesteps allowed per call to solve()

Definition at line 356 of file OneDim.h.

Referenced by OneDim::maxTimeStepCount(), OneDim::setMaxTimeStepCount(), and OneDim::timeStep().

◆ m_timeSteps

vector_int m_timeSteps

private

Number of time steps taken in each call to solve() (e.g.

for each successive grid refinement)

Definition at line 370 of file OneDim.h.

Referenced by OneDim::clearStats(), OneDim::saveStats(), OneDim::timeStepStats(), and OneDim::writeStats().

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

Public Member Functions

Protected Member Functions

Protected Attributes

Private Attributes

Detailed Description

Constructor & Destructor Documentation

◆ OneDim()

Member Function Documentation

◆ addDomain()

◆ jacobian()

◆ newton()

◆ solve()

◆ nDomains()

◆ domain()

◆ checkDomainIndex()

◆ checkDomainArraySize()

◆ start()

◆ size()

◆ left()

◆ right()

◆ nVars()

◆ loc()

◆ component()

◆ bandwidth()

◆ init()

◆ points()

◆ ssnorm()

◆ rdt()

◆ initTimeInteg()

◆ transient()

◆ steady()

◆ setSteadyMode()

◆ eval()

◆ pointDomain()

◆ resize()

◆ timeStep()

◆ writeStats()

◆ setMaxTimeStepCount()

◆ maxTimeStepCount()

◆ saveStats()

◆ clearStats()

◆ gridSizeStats()

◆ jacobianTimeStats()

◆ evalTimeStats()

◆ jacobianCountStats()

◆ evalCountStats()

◆ timeStepStats()

◆ setInterrupt()

◆ setTimeStepCallback()

Member Data Documentation

◆ m_tmin

◆ m_tmax

◆ m_tfactor

◆ m_jac

◆ m_newt

◆ m_rdt

◆ m_jac_ok

◆ m_bw

◆ m_size

◆ m_interrupt

◆ m_time_step_callback

◆ m_nsteps

◆ m_nsteps_max

◆ m_timeSteps