A reacting surface. More...

#include <Inlet1D.h>

Inheritance diagram for ReactingSurf1D:

Collaboration diagram for ReactingSurf1D:

Public Member Functions
void	setKineticsMgr (InterfaceKinetics *kin)

void	enableCoverageEquations (bool docov)

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

virtual void	init ()

virtual void	eval (size_t jg, doublereal xg, doublereal rg, integer *diagg, doublereal rdt)
	Evaluate the residual function at point j. More...

virtual XML_Node &	save (XML_Node &o, const doublereal *const soln)
	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...

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

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

Public Member Functions inherited from Bdry1D
virtual void	setTemperature (doublereal t)
	Set the temperature. More...

virtual doublereal	temperature ()
	Temperature [K]. More...

virtual size_t	nSpecies ()

virtual void	setMoleFractions (const std::string &xin)
	Set the mole fractions by specifying a std::string. More...

virtual void	setMoleFractions (doublereal *xin)
	Set the mole fractions by specifying an array. More...

virtual doublereal	massFraction (size_t k)
	Mass fraction of species k. More...

virtual void	setMdot (doublereal mdot)
	Set the total mass flow rate. More...

virtual doublereal	mdot ()
	The total mass flow rate [kg/m2/s]. More...

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

Public Member Functions inherited from Domain1D
	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	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...

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 nl, const doublereal lower, size_t nu, const doublereal upper)
	Set the lower and upper bounds for each solution component. More...

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

void	setTolerances (size_t nr, const doublereal rtol, size_t na, const doublereal atol, int ts=0)
	set the error tolerances for all solution components. More...

void	setTolerances (size_t n, doublereal rtol, doublereal atol, int ts=0)
	set the error tolerances for solution component n. More...

void	setTolerances (doublereal rtol, doublereal atol, int ts=0)
	set scalar error tolerances. More...

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

void	setTolerancesTS (doublereal rtol, doublereal atol, size_t n=npos)

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

void	setTolerancesSS (doublereal rtol, doublereal atol, size_t n=npos)

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 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)

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)

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)

void	setGrid (size_t n, const doublereal *z)

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

Protected Attributes
InterfaceKinetics *	m_kin

SurfPhase *	m_sphase

size_t	m_surfindex

size_t	m_nsp

bool	m_enabled

vector_fp	m_work

vector_fp	m_fixed_cov

int	dum

Protected Attributes inherited from Bdry1D
StFlow *	m_flow_left

StFlow *	m_flow_right

size_t	m_ilr

size_t	m_left_nv

size_t	m_right_nv

size_t	m_left_loc

size_t	m_right_loc

size_t	m_left_points

size_t	m_nv

size_t	m_left_nsp

size_t	m_right_nsp

size_t	m_sp_left

size_t	m_sp_right

size_t	m_start_left

size_t	m_start_right

ThermoPhase *	m_phase_left

ThermoPhase *	m_phase_right

doublereal	m_temp

doublereal	m_mdot

Protected Attributes inherited from Domain1D
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

Additional Inherited Members
Public Attributes inherited from Domain1D
doublereal	m_zfixed

doublereal	m_tfixed

bool	m_adiabatic

Protected Member Functions inherited from Bdry1D
void	_init (size_t n)

Detailed Description

A reacting surface.

Definition at line 370 of file Inlet1D.h.

Member Function Documentation

string componentName ( size_t n ) const

virtual

Name of the nth component. May be overloaded.

Reimplemented from Domain1D.

Definition at line 749 of file boundaries1D.cpp.

References Phase::speciesName().

void init ( )

virtual

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 from Bdry1D.

Definition at line 761 of file boundaries1D.cpp.

References Kinetics::nTotalSpecies(), Domain1D::setBounds(), Domain1D::setSteadyTolerances(), and Domain1D::setTransientTolerances().

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

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 from Domain1D.

Definition at line 780 of file boundaries1D.cpp.

References DATA_PTR, Domain1D::firstPoint(), InterfaceKinetics::getNetProductionRates(), Kinetics::kineticsSpeciesIndex(), Domain1D::lastPoint(), Domain1D::loc(), Phase::molecularWeights(), Domain1D::nComponents(), Domain1D::nPoints(), Cantera::npos, Domain1D::prevSoln(), SurfPhase::setCoverages(), StFlow::setGas(), Phase::setTemperature(), SurfPhase::siteDensity(), and Phase::size().

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 from Domain1D.

Definition at line 869 of file boundaries1D.cpp.

References XML_Node::addAttribute(), ctml::addFloat(), Domain1D::loc(), Domain1D::save(), and Phase::speciesName().

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 from Domain1D.

Definition at line 883 of file boundaries1D.cpp.

References XML_Node::attrib(), XML_Node::child(), XML_Node::fp_value(), ctml::getFloat(), XML_Node::name(), XML_Node::nChildren(), Cantera::npos, Domain1D::resize(), Domain1D::restore(), SurfPhase::setCoverages(), and Phase::speciesIndex().

virtual void _getInitialSoln ( doublereal * x )

inlinevirtual

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 from Bdry1D.

Definition at line 400 of file Inlet1D.h.

References SurfPhase::getCoverages().

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 from Domain1D.

Definition at line 406 of file Inlet1D.h.

virtual void showSolution ( const doublereal * x )

inlinevirtual

Print the solution.

Reimplemented from Domain1D.

Definition at line 410 of file Inlet1D.h.

References Phase::speciesName(), and Cantera::writelog().

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

Public Member Functions

Protected Attributes

Additional Inherited Members

Detailed Description

Member Function Documentation