Base class for one-dimensional domains. More...

#include <Domain1D.h>

Inheritance diagram for Domain1D:

Collaboration diagram for Domain1D:

Public Member Functions
	Domain1D (size_t nv=1, size_t points=1, doublereal time=0.0)
	Constructor. More...

int	domainType ()
	Domain type flag. More...

size_t	domainIndex ()
	The left-to-right location of this domain. More...

bool	isConnector ()
	True if the domain is a connector domain. More...

const OneDim &	container () const
	The container holding this domain. More...

void	setContainer (OneDim *c, size_t index)

void	setBandwidth (int bw=-1)
	Set the Jacobian bandwidth. See the discussion of method bandwidth(). More...

size_t	bandwidth ()
	Set the Jacobian bandwidth for this domain. More...

virtual void	init ()

virtual void	setInitialState (doublereal *xlocal=0)

virtual void	setState (size_t point, const doublereal state, doublereal x)

virtual void	resize (size_t nv, size_t np)

Refiner &	refiner ()
	Return a reference to the grid refiner. More...

size_t	nComponents () const
	Number of components at each grid point. More...

void	checkComponentIndex (size_t n) const
	Check that the specified component index is in range Throws an exception if n is greater than nComponents()-1. More...

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

size_t	nPoints () const
	Number of grid points in this domain. More...

void	checkPointIndex (size_t n) const
	Check that the specified point index is in range Throws an exception if n is greater than nPoints()-1. More...

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

virtual std::string	componentName (size_t n) const
	Name of the nth component. May be overloaded. More...

void	setComponentName (size_t n, const std::string &name)

void	setComponentType (size_t n, int ctype)

size_t	componentIndex (const std::string &name) const
	index of component with name name. More...

void	setBounds (size_t n, doublereal lower, doublereal upper)

void	setTransientTolerances (doublereal rtol, doublereal atol, size_t n=npos)
	Set tolerances for time-stepping mode. More...

void	setSteadyTolerances (doublereal rtol, doublereal atol, size_t n=npos)
	Set tolerances for steady-state mode. More...

doublereal	rtol (size_t n)
	Relative tolerance of the nth component. More...

doublereal	atol (size_t n)
	Absolute tolerance of the nth component. More...

doublereal	upperBound (size_t n) const
	Upper bound on the nth component. More...

doublereal	lowerBound (size_t n) const
	Lower bound on the nth component. More...

void	initTimeInteg (doublereal dt, const doublereal *x0)

void	setSteadyMode ()

bool	steady ()
	True if in steady-state mode. More...

bool	transient ()
	True if not in steady-state mode. More...

void	needJacUpdate ()

void	evalss (doublereal x, doublereal r, integer *mask)

virtual void	eval (size_t j, doublereal x, doublereal r, integer *mask, doublereal rdt=0.0)
	Evaluate the residual function at point j. More...

virtual doublereal	residual (doublereal *x, size_t n, size_t j)

int	timeDerivativeFlag (size_t n)

void	setAlgebraic (size_t n)

virtual void	update (doublereal *x)

doublereal	time () const

void	incrementTime (doublereal dt)

size_t	index (size_t n, size_t j) const

doublereal	value (const doublereal *x, size_t n, size_t j) const

virtual void	setJac (MultiJac *jac)

virtual XML_Node &	save (XML_Node &o, const doublereal *const sol)
	Save the current solution for this domain into an XML_Node. More...

virtual void	restore (const XML_Node &dom, doublereal *soln, int loglevel)
	Restore the solution for this domain from an XML_Node. More...

size_t	size () const

void	locate ()
	Find the index of the first grid point in this domain, and the start of its variables in the global solution vector. More...

virtual size_t	loc (size_t j=0) const
	Location of the start of the local solution vector in the global solution vector,. More...

size_t	firstPoint () const
	The index of the first (i.e., left-most) grid point belonging to this domain. More...

size_t	lastPoint () const
	The index of the last (i.e., right-most) grid point belonging to this domain. More...

void	linkLeft (Domain1D *left)
	Set the left neighbor to domain 'left. More...

void	linkRight (Domain1D *right)
	Set the right neighbor to domain 'right.'. More...

void	append (Domain1D *right)
	Append domain 'right' to this one, and update all links. More...

Domain1D *	left () const
	Return a pointer to the left neighbor. More...

Domain1D *	right () const
	Return a pointer to the right neighbor. More...

double	prevSoln (size_t n, size_t j) const
	Value of component n at point j in the previous solution. More...

void	setID (const std::string &s)
	Specify an identifying tag for this domain. More...

std::string	id () const

void	setDesc (const std::string &s)
	Specify descriptive text for this domain. More...

const std::string &	desc ()

virtual void	getTransientMask (integer *mask)

virtual void	showSolution_s (std::ostream &s, const doublereal *x)

virtual void	showSolution (const doublereal *x)
	Print the solution. More...

doublereal	z (size_t jlocal) const

doublereal	zmin () const

doublereal	zmax () const

void	setProfile (const std::string &name, doublereal values, doublereal soln)

vector_fp &	grid ()

const vector_fp &	grid () const

doublereal	grid (size_t point)

virtual void	setupGrid (size_t n, const doublereal *z)
	called to set up initial grid, and after grid refinement More...

virtual void	_getInitialSoln (doublereal *x)
	Writes some or all initial solution values into the global solution array, beginning at the location pointed to by x. More...

virtual doublereal	initialValue (size_t n, size_t j)
	Initial value of solution component n at grid point j. More...

virtual void	_finalize (const doublereal *x)
	In some cases, a domain may need to set parameters that depend on the initial solution estimate. More...

Protected Attributes
doublereal	m_rdt

size_t	m_nv

size_t	m_points

vector_fp	m_slast

doublereal	m_time

vector_fp	m_max

vector_fp	m_min

vector_fp	m_rtol_ss

vector_fp	m_rtol_ts

vector_fp	m_atol_ss

vector_fp	m_atol_ts

vector_fp	m_z

OneDim *	m_container

size_t	m_index

int	m_type

size_t	m_iloc
	Starting location within the solution vector for unknowns that correspond to this domain. More...

size_t	m_jstart

Domain1D *	m_left

Domain1D *	m_right

std::string	m_id
	Identity tag for the domain. More...

std::string	m_desc

Refiner *	m_refiner

vector_int	m_td

std::vector< std::string >	m_name

int	m_bw

Detailed Description

Base class for one-dimensional domains.

Definition at line 37 of file Domain1D.h.

Constructor & Destructor Documentation

Domain1D	(	size_t	nv = `1`,
		size_t	points = `1`,
		doublereal	time = `0.0`
	)

inline

Constructor.

Parameters

nv	Number of variables at each grid point.
points	Number of grid points.
time	(unused)

Definition at line 46 of file Domain1D.h.

References Domain1D::resize().

Member Function Documentation

int domainType ( )

inline

Domain type flag.

Definition at line 68 of file Domain1D.h.

size_t domainIndex ( )

inline

The left-to-right location of this domain.

Definition at line 73 of file Domain1D.h.

bool isConnector ( )

inline

True if the domain is a connector domain.

Definition at line 78 of file Domain1D.h.

const OneDim& container ( ) const

inline

The container holding this domain.

Definition at line 83 of file Domain1D.h.

void setContainer	(	OneDim *	c,
		size_t	index
	)

inline

Specify the container object for this domain, and the position of this domain in the list.

Definition at line 91 of file Domain1D.h.

Referenced by OneDim::addDomain().

void setBandwidth ( int bw = -1 )

inline

Set the Jacobian bandwidth. See the discussion of method bandwidth().

Definition at line 97 of file Domain1D.h.

size_t bandwidth ( )

inline

Set the Jacobian bandwidth for this domain.

When class OneDim computes the bandwidth of the overall multi-domain problem (in OneDim::resize()), it calls this method for the bandwidth of each domain. If setBandwidth has not been called, then a negative bandwidth is returned, in which case OneDim assumes that this domain is dense – that is, at each point, all components depend on the value of all other components at that point. In this case, the bandwidth is bw = 2*nComponents() - 1. However, if this domain contains some components that are uncoupled from other components at the same point, then this default bandwidth may greatly overestimate the true bandwidth, with a substantial penalty in performance. For such domains, use method setBandwidth to specify the bandwidth before passing this domain to the Sim1D or OneDim constructor.

Definition at line 116 of file Domain1D.h.

Referenced by OneDim::resize().

virtual void init ( )

inlinevirtual

Initialize. This method is called by OneDim::init() for each domain once at the beginning of a simulation. Base class method does nothing, but may be overloaded.

Reimplemented in ReactingSurf1D, Surf1D, OutletRes1D, Outlet1D, Symm1D, Empty1D, Inlet1D, StFlow, and Bdry1D.

Definition at line 125 of file Domain1D.h.

Referenced by OneDim::init().

virtual void resize	(	size_t	nv,
		size_t	np
	)

inlinevirtual

Resize the domain to have nv components and np grid points. This method is virtual so that subclasses can perform other actions required to resize the domain.

Reimplemented in StFlow.

Definition at line 135 of file Domain1D.h.

References Domain1D::locate().

Referenced by Domain1D::Domain1D(), StFlow::resize(), Inlet1D::restore(), Empty1D::restore(), Symm1D::restore(), Outlet1D::restore(), OutletRes1D::restore(), Surf1D::restore(), ReactingSurf1D::restore(), and StFlow::StFlow().

Refiner& refiner ( )

inline

Return a reference to the grid refiner.

Definition at line 159 of file Domain1D.h.

Referenced by Sim1D::refine(), StFlow::restore(), StFlow::save(), Sim1D::setGridMin(), and Sim1D::setRefineCriteria().

size_t nComponents ( ) const

inline

Number of components at each grid point.

Definition at line 164 of file Domain1D.h.

Referenced by Domain1D::componentIndex(), Inlet1D::eval(), Symm1D::eval(), Outlet1D::eval(), OutletRes1D::eval(), Surf1D::eval(), ReactingSurf1D::eval(), Inlet1D::init(), OutletRes1D::init(), Sim1D::refine(), OneDim::resize(), Sim1D::restore(), Inlet1D::save(), Surf1D::save(), Sim1D::setFixedTemperature(), Sim1D::setInitialGuess(), and MultiNewton::step().

void checkComponentIndex ( size_t n ) const

inline

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

Definition at line 170 of file Domain1D.h.

void checkComponentArraySize ( size_t nn ) const

inline

Check that an array size is at least nComponents() Throws an exception if nn is less than nComponents().

Used before calls which take an array pointer.

Definition at line 179 of file Domain1D.h.

size_t nPoints ( ) const

inline

Number of grid points in this domain.

Definition at line 186 of file Domain1D.h.

Referenced by ReactingSurf1D::eval(), Sim1D::refine(), OneDim::resize(), StFlow::restore(), StFlow::save(), Sim1D::setFixedTemperature(), Sim1D::setFlatProfile(), and Sim1D::setProfile().

void checkPointIndex ( size_t n ) const

inline

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

Definition at line 192 of file Domain1D.h.

void checkPointArraySize ( size_t nn ) const

inline

Check that an array size is at least nPoints() Throws an exception if nn is less than nPoints().

Used before calls which take an array pointer.

Definition at line 201 of file Domain1D.h.

virtual std::string componentName ( size_t n ) const

inlinevirtual

Name of the nth component. May be overloaded.

Reimplemented in ReactingSurf1D, Surf1D, OutletRes1D, Outlet1D, Symm1D, Empty1D, Inlet1D, and StFlow.

Definition at line 208 of file Domain1D.h.

References Cantera::int2str().

Referenced by Domain1D::componentIndex(), Sim1D::setInitialGuess(), and MultiNewton::step().

size_t componentIndex ( const std::string & name ) const

inline

index of component with name name.

Definition at line 227 of file Domain1D.h.

References Domain1D::componentName(), and Domain1D::nComponents().

void setTransientTolerances	(	doublereal	rtol,
		doublereal	atol,
		size_t	n = `npos`
	)

Set tolerances for time-stepping mode.

Parameters

rtol	Relative tolerance
atol	Absolute tolerance
n	component index these tolerances apply to. If set to -1 (the default), these tolerances will be applied to all solution components.

Definition at line 16 of file Domain1D.cpp.

References Cantera::npos.

Referenced by Inlet1D::init(), Empty1D::init(), Symm1D::init(), Outlet1D::init(), OutletRes1D::init(), Surf1D::init(), ReactingSurf1D::init(), and StFlow::StFlow().

void setSteadyTolerances	(	doublereal	rtol,
		doublereal	atol,
		size_t	n = `npos`
	)

Set tolerances for steady-state mode.

Parameters

rtol	Relative tolerance
atol	Absolute tolerance
n	component index these tolerances apply to. If set to -1 (the default), these tolerances will be applied to all solution components.

Definition at line 29 of file Domain1D.cpp.

References Cantera::npos.

Referenced by Inlet1D::init(), Empty1D::init(), Symm1D::init(), Outlet1D::init(), OutletRes1D::init(), Surf1D::init(), ReactingSurf1D::init(), and StFlow::StFlow().

doublereal rtol ( size_t n )

inline

Relative tolerance of the nth component.

Definition at line 264 of file Domain1D.h.

doublereal atol ( size_t n )

inline

Absolute tolerance of the nth component.

Definition at line 269 of file Domain1D.h.

doublereal upperBound ( size_t n ) const

inline

Upper bound on the nth component.

Definition at line 274 of file Domain1D.h.

doublereal lowerBound ( size_t n ) const

inline

Lower bound on the nth component.

Definition at line 279 of file Domain1D.h.

void initTimeInteg	(	doublereal	dt,
		const doublereal *	x0
	)

inline

Prepare to do time stepping with time step dt. Copy the internally- stored solution at the last time step to array x0.

Definition at line 287 of file Domain1D.h.

References Domain1D::loc().

Referenced by OneDim::initTimeInteg().

void setSteadyMode ( )

inline

Prepare to solve the steady-state problem. Set the internally-stored reciprocal of the time step to 0,0

Definition at line 296 of file Domain1D.h.

Referenced by OneDim::setSteadyMode().

bool steady ( )

inline

True if in steady-state mode.

Definition at line 301 of file Domain1D.h.

bool transient ( )

inline

True if not in steady-state mode.

Definition at line 306 of file Domain1D.h.

void needJacUpdate ( )

Set this if something has changed in the governing equations (e.g. the value of a constant has been changed, so that the last-computed Jacobian is no longer valid.

Definition at line 42 of file Domain1D.cpp.

Referenced by StFlow::fixSpecies(), Inlet1D::setMoleFractions(), OutletRes1D::setMoleFractions(), Inlet1D::setSpreadRate(), and StFlow::solveSpecies().

void evalss	(	doublereal *	x,
		doublereal *	r,
		integer *	mask
	)

inline

Evaluate the steady-state residual at all points, even if in transient mode. Used only to print diagnostic output.

Definition at line 321 of file Domain1D.h.

References Domain1D::eval(), and Cantera::npos.

void eval	(	size_t	j,
		doublereal *	x,
		doublereal *	r,
		integer *	mask,
		doublereal	rdt = `0.0`
	)

virtual

Evaluate the residual function at point j.

If j == npos, evaluate the residual function at all points.

Parameters

	j	Grid point at which to update the residual
[in]	x	State vector
[out]	r	residual vector
[out]	mask	Boolean mask indicating whether each solution component has a time derivative (1) or not (0).
[in]	rdt	Reciprocal of the timestep (`rdt=0` implies steady- state.)

Reimplemented in ReactingSurf1D, StFlow, Surf1D, OutletRes1D, Outlet1D, Symm1D, Empty1D, and Inlet1D.

Definition at line 50 of file Domain1D.cpp.

References Cantera::npos.

Referenced by Domain1D::evalss().

XML_Node & save	(	XML_Node &	o,
		const doublereal *const	sol
	)

virtual

Save the current solution for this domain into an XML_Node.

Base class version of the general domain1D save function. Derived classes should call the base class method in addition to saving their own data.

Parameters

o	XML_Node to save the solution to.
sol	Current value of the solution vector. The object will pick out which part of the solution vector pertains to this object.

Returns: XML_Node created to represent this domain

Reimplemented in FreeFlame, ReactingSurf1D, Surf1D, OutletRes1D, Outlet1D, Symm1D, Empty1D, Inlet1D, and StFlow.

Definition at line 95 of file Domain1D.cpp.

References XML_Node::addAttribute(), and Cantera::addFloatArray().

Referenced by StFlow::save(), Inlet1D::save(), Empty1D::save(), Symm1D::save(), Outlet1D::save(), OutletRes1D::save(), Surf1D::save(), and ReactingSurf1D::save().

void restore	(	const XML_Node &	dom,
		doublereal *	soln,
		int	loglevel
	)

virtual

Restore the solution for this domain from an XML_Node.

Base class version of the general Domain1D restore function. Derived classes should call the base class method in addition to restoring their own data.

Parameters

dom	XML_Node for this domain
soln	Current value of the solution vector, local to this object.
loglevel	0 to suppress all output; 1 to show warnings; 2 for verbose output

Reimplemented in FreeFlame, ReactingSurf1D, Surf1D, OutletRes1D, Outlet1D, Symm1D, Empty1D, Inlet1D, and StFlow.

Definition at line 108 of file Domain1D.cpp.

References XML_Node::getChildren(), Cantera::getFloatArray(), Cantera::int2str(), and Cantera::writelog().

Referenced by Sim1D::restore(), StFlow::restore(), Inlet1D::restore(), Empty1D::restore(), Symm1D::restore(), Outlet1D::restore(), OutletRes1D::restore(), Surf1D::restore(), and ReactingSurf1D::restore().

void locate ( )

inline

Find the index of the first grid point in this domain, and the start of its variables in the global solution vector.

Definition at line 402 of file Domain1D.h.

References Domain1D::lastPoint(), Domain1D::loc(), Domain1D::locate(), and Domain1D::m_iloc.

Referenced by Domain1D::linkLeft(), Domain1D::locate(), and Domain1D::resize().

virtual size_t loc ( size_t j = 0 ) const

inlinevirtual

Location of the start of the local solution vector in the global solution vector,.

Definition at line 427 of file Domain1D.h.

References Domain1D::m_iloc.

Referenced by Inlet1D::eval(), Empty1D::eval(), Symm1D::eval(), Outlet1D::eval(), OutletRes1D::eval(), Surf1D::eval(), StFlow::eval(), ReactingSurf1D::eval(), Domain1D::initTimeInteg(), Domain1D::locate(), OneDim::pointDomain(), OneDim::resize(), StFlow::save(), Inlet1D::save(), Surf1D::save(), ReactingSurf1D::save(), Sim1D::setValue(), MultiNewton::step(), and Sim1D::value().

size_t firstPoint ( ) const

inline

The index of the first (i.e., left-most) grid point belonging to this domain.

Definition at line 435 of file Domain1D.h.

Referenced by Inlet1D::eval(), Empty1D::eval(), Symm1D::eval(), Outlet1D::eval(), OutletRes1D::eval(), Surf1D::eval(), StFlow::eval(), and ReactingSurf1D::eval().

size_t lastPoint ( ) const

inline

The index of the last (i.e., right-most) grid point belonging to this domain.

Definition at line 443 of file Domain1D.h.

Referenced by Inlet1D::eval(), Empty1D::eval(), Symm1D::eval(), Outlet1D::eval(), OutletRes1D::eval(), Surf1D::eval(), StFlow::eval(), ReactingSurf1D::eval(), and Domain1D::locate().

void linkLeft ( Domain1D * left )

inline

Set the left neighbor to domain 'left.

' Method 'locate' is called to update the global positions of this domain and all those to its right.

Definition at line 451 of file Domain1D.h.

References Domain1D::left(), and Domain1D::locate().

Referenced by Domain1D::append().

void linkRight ( Domain1D * right )

inline

Set the right neighbor to domain 'right.'.

Definition at line 457 of file Domain1D.h.

References Domain1D::right().

Referenced by Domain1D::append().

void append ( Domain1D * right )

inline

Append domain 'right' to this one, and update all links.

Definition at line 462 of file Domain1D.h.

References Domain1D::linkLeft(), and Domain1D::linkRight().

Domain1D* left ( ) const

inline

Return a pointer to the left neighbor.

Definition at line 468 of file Domain1D.h.

Referenced by Domain1D::linkLeft(), and OneDim::pointDomain().

Domain1D* right ( ) const

inline

Return a pointer to the right neighbor.

Definition at line 473 of file Domain1D.h.

Referenced by OneDim::init(), OneDim::initTimeInteg(), Domain1D::linkRight(), and OneDim::setSteadyMode().

double prevSoln	(	size_t	n,
		size_t	j
	)		const

inline

Value of component n at point j in the previous solution.

Definition at line 478 of file Domain1D.h.

Referenced by ReactingSurf1D::eval().

void setID ( const std::string & s )

inline

Specify an identifying tag for this domain.

Definition at line 483 of file Domain1D.h.

References Domain1D::m_id.

Referenced by StFlow::StFlow().

void setDesc ( const std::string & s )

inline

Specify descriptive text for this domain.

Definition at line 496 of file Domain1D.h.

void showSolution ( const doublereal * x )

virtual

Print the solution.

Reimplemented in ReactingSurf1D, Surf1D, OutletRes1D, Empty1D, StFlow, and Inlet1D.

Definition at line 159 of file Domain1D.cpp.

References Cantera::writelog().

void setupGrid	(	size_t	n,
		const doublereal *	z
	)

virtual

called to set up initial grid, and after grid refinement

Reimplemented in Bdry1D, and StFlow.

Definition at line 149 of file Domain1D.cpp.

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

void _getInitialSoln ( doublereal * x )

virtual

Writes some or all initial solution values into the global solution array, beginning at the location pointed to by x.

This method is called by the Sim1D constructor, and allows default values or ones that have been set locally prior to installing this domain into the container to be written to the global solution vector.

Reimplemented in ReactingSurf1D, Surf1D, OutletRes1D, Outlet1D, Symm1D, Empty1D, Inlet1D, StFlow, and Bdry1D.

Definition at line 206 of file Domain1D.cpp.

Referenced by Sim1D::Sim1D().

doublereal initialValue	(	size_t	n,
		size_t	j
	)

virtual

Initial value of solution component n at grid point j.

Definition at line 215 of file Domain1D.cpp.

virtual void _finalize ( const doublereal * x )

inlinevirtual

In some cases, a domain may need to set parameters that depend on the initial solution estimate.

In such cases, the parameters may be set in method _finalize. This method is called just before the Newton solver is called, and the x array is guaranteed to be the local solution vector for this domain that will be used as the initial guess. If no such parameters need to be set, then method _finalize does not need to be overloaded.

Reimplemented in FreeFlame, ReactingSurf1D, and StFlow.

Definition at line 569 of file Domain1D.h.

Referenced by Sim1D::finalize().