One-dimensional simulations. More...

#include <Sim1D.h>

Inheritance diagram for Sim1D:

Collaboration diagram for Sim1D:

Public Member Functions
	Sim1D ()
	Default constructor.

	Sim1D (std::vector< Domain1D * > &domains)
	Standard constructor.

virtual	~Sim1D ()
	Destructor. Does nothing.

void	save (std::string fname, std::string id, std::string desc)

void	showSolution (std::ostream &s)
	Print to stream s the current solution for all domains.

void	showSolution ()

const doublereal *	solution ()

void	setTimeStep (doublereal stepsize, size_t n, integer *tsteps)

void	solve (int loglevel=0, bool refine_grid=true)

void	eval (doublereal rdt=-1.0, int count=1)

int	refine (int loglevel=0)
	Refine the grid in all domains.

int	setFixedTemperature (doublereal t)
	Add node for fixed temperature point of freely propagating flame.

void	setAdiabaticFlame (void)

void	setRefineCriteria (int dom=-1, doublereal ratio=10.0, doublereal slope=0.8, doublereal curve=0.8, doublereal prune=-0.1)
	Set the criteria for grid refinement.

void	setMaxGridPoints (int dom=-1, int npoints=300)

void	restore (std::string fname, std::string id)
	Initialize the solution with a previously-saved solution.

void	setGridMin (int dom, double gridmin)
	Set the minimum grid spacing in the specified domain(s).

void	getInitialSoln ()

void	setSolution (const doublereal *soln)

const doublereal *	solution () const

doublereal	jacobian (int i, int j)

void	evalSSJacobian ()

void	addDomain (Domain1D *d)
	Add a domain.

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

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

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

size_t	nDomains () const
	Number of domains.

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

size_t	domainIndex (std::string name)

void	checkDomainIndex (size_t n) const
	Check that the specified domain index is in range Throws an exception if n is greater than nDomains()-1.

void	checkDomainArraySize (size_t nn) const
	Check that an array size is at least nDomains() Throws an exception if nn is less than nDomains().

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

size_t	size () const
	Total solution vector length;.

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

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

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

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

size_t	bandwidth () const
	Jacobian bandwidth.

void	init ()
	Initialize.

size_t	points ()
	Total number of points.

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

doublereal	rdt () const
	Reciprocal of the time step.

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

bool	transient () const
	True if transient mode.

bool	steady () const
	True if steady mode.

void	setSteadyMode ()
	Set steady mode.

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

Domain1D *	pointDomain (size_t i)
	Pointer to the domain global point i belongs to.

void	resize ()
	Call after one or more grids has been refined.

vector_int &	transientMask ()

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

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

void	save (std::string fname, std::string id, std::string desc, doublereal *sol)

void	setMinTimeStep (doublereal tmin)

void	setMaxTimeStep (doublereal tmax)

void	setTimeStepFactor (doublereal tfactor)

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

void	saveStats ()
	Save statistics on function and Jacobiab evaulation, and reset the counters.

Setting initial values
These methods are used to set the initial values of solution components.
void	setInitialGuess (std::string component, vector_fp &locs, vector_fp &vals)
	Set initial guess based on equilibrium.

void	setValue (size_t dom, size_t comp, size_t localPoint, doublereal value)
	Set one entry in the solution vector.

doublereal	value (size_t dom, size_t comp, size_t localPoint) const
	Get one entry in the solution vector.

doublereal	workValue (size_t dom, size_t comp, size_t localPoint) const

void	setProfile (size_t dom, size_t comp, const vector_fp &pos, const vector_fp &values)
	Specify a profile for one component of one domain.

void	setFlatProfile (size_t dom, size_t comp, doublereal v)
	Set component 'comp' of domain 'dom' to value 'v' at all points.

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

Protected Attributes
vector_fp	m_x

vector_fp	m_xnew

doublereal	m_tstep

vector_int	m_steps

doublereal	m_tmin

doublereal	m_tmax

doublereal	m_tfactor

MultiJac *	m_jac

MultiNewton *	m_newt

doublereal	m_rdt

bool	m_jac_ok

size_t	m_nd
	number of domains

size_t	m_bw

size_t	m_size

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

Private Member Functions
void	finalize ()
	Calls method _finalize in each domain.

int	newtonSolve (int loglevel)

Detailed Description

One-dimensional simulations.

Class Sim1D extends class OneDim by storing the solution vector, and by adding a hybrid Newton/time-stepping solver.

Definition at line 19 of file Sim1D.h.

Constructor & Destructor Documentation

Sim1D ( )

Default constructor.

This constructor is provided to make the class default-constructible, but is not meant to be used in most applications. Use the next constructor

Definition at line 24 of file Sim1D.cpp.

Sim1D ( std::vector< Domain1D * > & domains )

Standard constructor.

Parameters

domains A vector of pointers to the domains to be linked together. The domain pointers must be entered in left-to-right order — i.e., the pointer to the leftmost domain is domain[0], the pointer to the domain to its right is domain[1], etc.

Definition at line 30 of file Sim1D.cpp.

References Domain1D::_getInitialSoln(), DATA_PTR, OneDim::domain(), OneDim::m_nd, OneDim::size(), and OneDim::start().

virtual ~Sim1D ( )

inlinevirtual

Destructor. Does nothing.

Definition at line 44 of file Sim1D.h.

Member Function Documentation

void setInitialGuess	(	std::string	component,
		vector_fp &	locs,
		vector_fp &	vals
	)

Set initial guess based on equilibrium.

Definition at line 56 of file Sim1D.cpp.

References Domain1D::componentName(), OneDim::domain(), OneDim::m_nd, Domain1D::nComponents(), and Sim1D::setProfile().

void setValue	(	size_t	dom,
		size_t	comp,
		size_t	localPoint,
		doublereal	value
	)

Set one entry in the solution vector.

Set a single value in the solution vector.

Parameters

dom	domain number, beginning with 0 for the leftmost domain.
comp	component number
localPoint	grid point within the domain, beginning with 0 for the leftmost grid point in the domain.
value	the value.

Definition at line 79 of file Sim1D.cpp.

References OneDim::domain(), Domain1D::loc(), and Sim1D::value().

Referenced by Sim1D::setFlatProfile(), and Sim1D::setProfile().

doublereal value	(	size_t	dom,
		size_t	comp,
		size_t	localPoint
	)		const

Get one entry in the solution vector.

Parameters

dom	domain number, beginning with 0 for the leftmost domain.
comp	component number
localPoint	grid point within the domain, beginning with 0 for the leftmost grid point in the domain.

Definition at line 92 of file Sim1D.cpp.

References OneDim::domain(), Cantera::int2str(), and Domain1D::loc().

Referenced by Sim1D::refine(), Sim1D::setFixedTemperature(), and Sim1D::setValue().

void setProfile	(	size_t	dom,
		size_t	comp,
		const vector_fp &	pos,
		const vector_fp &	values
	)

Specify a profile for one component of one domain.

Parameters

dom	domain number, beginning with 0 for the leftmost domain.
comp	component number
pos	A vector of relative positions, beginning with 0.0 at the left of the domain, and ending with 1.0 at the right of the domain.
values	A vector of values corresponding to the relative position locations.

Note that the vector pos and values can have lengths different than the number of grid points, but their lengths must be equal. The values at the grid points will be linearly interpolated based on the (pos, values) specification.

Definition at line 129 of file Sim1D.cpp.

References OneDim::domain(), Cantera::linearInterp(), Domain1D::nPoints(), and Sim1D::setValue().

Referenced by Sim1D::setInitialGuess().

void setFlatProfile	(	size_t	dom,
		size_t	comp,
		doublereal	v
	)

Set component 'comp' of domain 'dom' to value 'v' at all points.

Definition at line 198 of file Sim1D.cpp.

References OneDim::domain(), Domain1D::nPoints(), and Sim1D::setValue().

void showSolution ( std::ostream & s )

Print to stream s the current solution for all domains.

Definition at line 208 of file Sim1D.cpp.

References DATA_PTR, OneDim::domain(), OneDim::m_nd, and OneDim::start().

int refine ( int loglevel = 0 )

Refine the grid in all domains.

Definition at line 351 of file Sim1D.cpp.

References DATA_PTR, OneDim::domain(), Sim1D::finalize(), Cantera::fp2str(), OneDim::m_nd, Domain1D::nComponents(), Domain1D::nPoints(), Domain1D::refiner(), OneDim::resize(), OneDim::start(), Sim1D::value(), and Cantera::writelog().

int setFixedTemperature ( doublereal t )

Add node for fixed temperature point of freely propagating flame.

Definition at line 449 of file Sim1D.cpp.

References DATA_PTR, OneDim::domain(), Sim1D::finalize(), OneDim::m_nd, Domain1D::nComponents(), Domain1D::nPoints(), OneDim::resize(), and Sim1D::value().

void setRefineCriteria	(	int	dom = `-1`,
		doublereal	ratio = `10.0`,
		doublereal	slope = `0.8`,
		doublereal	curve = `0.8`,
		doublereal	prune = `-0.1`
	)

Set the criteria for grid refinement.

Set grid refinement criteria.

If dom >= 0, then the settings apply only to the specified domain. If dom < 0, the settings are applied to each domain.

See Also: Refiner::setCriteria.

Definition at line 567 of file Sim1D.cpp.

References OneDim::domain(), OneDim::m_nd, and Domain1D::refiner().

void restore	(	std::string	fname,
		std::string	id
	)

Initialize the solution with a previously-saved solution.

Definition at line 154 of file Sim1D.cpp.

References XML_Node::build(), DATA_PTR, OneDim::domain(), Sim1D::finalize(), XML_Node::findID(), Cantera::intValue(), OneDim::loc(), OneDim::m_nd, Domain1D::nComponents(), OneDim::resize(), and Cantera::writelog().

void setGridMin	(	int	dom,
		double	gridmin
	)

Set the minimum grid spacing in the specified domain(s).

Parameters

dom	Domain index. If dom == -1, the specified spacing is applied to all domains.
gridmin	The minimum allowable grid spacing [m]

Definition at line 581 of file Sim1D.cpp.

References OneDim::domain(), OneDim::m_nd, and Domain1D::refiner().

void finalize ( )

private

Calls method _finalize in each domain.

Definition at line 235 of file Sim1D.cpp.

References Domain1D::_finalize(), DATA_PTR, OneDim::domain(), OneDim::m_nd, and OneDim::start().

Referenced by Sim1D::refine(), Sim1D::restore(), and Sim1D::setFixedTemperature().

int newtonSolve ( int loglevel )

private

Wrapper around the Newton solver.

Returns: 0 if successful, -1 on failure

Definition at line 253 of file Sim1D.cpp.

References DATA_PTR, Cantera::int2str(), and OneDim::solve().

void addDomain ( Domain1D * d )

inherited

Add a domain.

Domains are added left-to-right.

Definition at line 75 of file OneDim.cpp.

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

Referenced by OneDim::OneDim().

MultiJac & jacobian ( )

inherited

Return a reference to the Jacobian evaluator.

Definition at line 107 of file OneDim.cpp.

Referenced by Domain1D::needJacUpdate().

MultiNewton & newton ( )

inherited

Return a reference to the Newton iterator.

Definition at line 111 of file OneDim.cpp.

Referenced by OneDim::timeStep().

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

inherited

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 235 of file OneDim.cpp.

References DATA_PTR, MultiJac::eval(), OneDim::eval(), Cantera::npos, and MultiNewton::solve().

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

size_t nDomains ( ) const

inlineinherited

Number of domains.

Definition at line 52 of file OneDim.h.

References OneDim::m_nd.

Referenced by MultiNewton::boundStep(), MultiNewton::norm2(), and MultiNewton::step().

Domain1D& domain ( size_t i ) const

inlineinherited

Return a reference to domain i.

Definition at line 57 of file OneDim.h.

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

void checkDomainIndex ( size_t n ) const

inlineinherited

Check that the specified domain index is in range Throws an exception if n is greater than nDomains()-1.

Definition at line 65 of file OneDim.h.

References OneDim::m_nd.

void checkDomainArraySize ( size_t nn ) const

inlineinherited

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 74 of file OneDim.h.

References OneDim::m_nd.

size_t start ( size_t i ) const

inlineinherited

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

Definition at line 81 of file OneDim.h.

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

size_t size ( ) const

inlineinherited

Total solution vector length;.

Definition at line 86 of file OneDim.h.

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

Domain1D* left ( )

inlineinherited

Pointer to left-most domain (first added).

Definition at line 91 of file OneDim.h.

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

Domain1D* right ( )

inlineinherited

Pointer to right-most domain (last added).

Definition at line 96 of file OneDim.h.

Referenced by OneDim::pointDomain().

size_t nVars ( size_t jg )

inlineinherited

Number of solution components at global point jg.

Definition at line 101 of file OneDim.h.

Referenced by MultiJac::eval().

size_t loc ( size_t jg )

inlineinherited

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(), OneDim::resize(), and Sim1D::restore().

size_t bandwidth ( ) const

inlineinherited

Jacobian bandwidth.

Definition at line 114 of file OneDim.h.

void init ( )

inherited

Initialize.

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 375 of file OneDim.cpp.

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

Referenced by OneDim::OneDim().

size_t points ( )

inlineinherited

Total number of points.

Definition at line 122 of file OneDim.h.

Referenced by MultiJac::MultiJac().

doublereal ssnorm	(	doublereal *	x,
		doublereal *	r
	)

inherited

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

The 'infinity' (maximum magnitude) norm of the steady-state residual.

On return, array r contains the steady-state residual values.

Used only for diagnostic output.

Definition at line 317 of file OneDim.cpp.

References OneDim::eval(), ckr::max(), and Cantera::npos.

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

doublereal rdt ( ) const

inlineinherited

Reciprocal of the time step.

Definition at line 133 of file OneDim.h.

Referenced by MultiNewton::solve().

void initTimeInteg	(	doublereal	dt,
		doublereal *	x
	)

inherited

Prepare for time stepping beginning with solution x.

Prepare for time stepping with timestep dt.

Definition at line 331 of file OneDim.cpp.

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

Referenced by OneDim::timeStep().

bool transient ( ) const

inlineinherited

True if transient mode.

Definition at line 141 of file OneDim.h.

bool steady ( ) const

inlineinherited

True if steady mode.

Definition at line 146 of file OneDim.h.

void setSteadyMode ( )

inherited

Set steady mode.

Prepare to solve the steady-state problem.

After invoking this method, subsequent calls to solve() will solve the steady-state problem.

Set the reciprocal of the time step to zero, and, if it was previously non-zero, signal that a new Jacobian will be needed.

Definition at line 357 of file OneDim.cpp.

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

Referenced by OneDim::timeStep().

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

inherited

Evaluate the multi-domain residual function.

Evaluate the multi-domain residual function, and return the result in array r.

Parameters

j	if j > 0, 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 283 of file OneDim.cpp.

References DATA_PTR.

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

Domain1D * pointDomain ( size_t i )

inherited

Pointer to the domain global point i belongs to.

Return a pointer to the domain that contains component i of the global solution vector.

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

8/26/02 changed '<' to '<=' DGG

Definition at line 266 of file OneDim.cpp.

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

Referenced by MultiNewton::step().

void resize ( )

inherited

Call after one or more grids has been refined.

Definition at line 170 of file OneDim.cpp.

References Domain1D::bandwidth(), OneDim::loc(), Domain1D::loc(), OneDim::m_nd, Domain1D::nComponents(), Domain1D::nPoints(), Cantera::npos, MultiNewton::resize(), OneDim::saveStats(), and OneDim::size().

Referenced by OneDim::addDomain(), OneDim::OneDim(), Sim1D::refine(), Sim1D::restore(), and Sim1D::setFixedTemperature().

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

inherited

Take time steps using Backward Euler.

nsteps – number of steps dt – initial step size loglevel – controls amount of printed diagnostics

Definition at line 407 of file OneDim.cpp.

References OneDim::initTimeInteg(), OneDim::newton(), MultiNewton::setOptions(), OneDim::setSteadyMode(), OneDim::solve(), OneDim::ssnorm(), and Cantera::writelog().

void writeStats ( int printTime = 1 )

inherited

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 117 of file OneDim.cpp.

References Cantera::int2str(), OneDim::saveStats(), and Cantera::writelog().

void saveStats ( )

inherited

Save statistics on function and Jacobiab evaulation, and reset the counters.

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