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

#include <Domain1D.h>

Inheritance diagram for Domain1D:

Detailed Description

Base class for one-dimensional domains.

Definition at line 28 of file Domain1D.h.

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

	Domain1D (const Domain1D &)=delete

Domain1D &	operator= (const Domain1D &)=delete

virtual string	domainType () const
	Domain type flag.

string	type () const
	String indicating the domain implemented.

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

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

void	setSolution (shared_ptr< Solution > sol)
	Set the solution manager.

virtual void	setKinetics (shared_ptr< Kinetics > kin)
	Set the kinetics manager.

virtual void	setTransport (shared_ptr< Transport > trans)
	Set transport model to existing instance.

virtual void	setTransportModel (const string &model)
	Set transport model by name.

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

void	setContainer (OneDim *c, size_t index)
	Specify the container object for this domain, and the position of this domain in the list.

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

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

virtual void	init ()
	Initialize.

virtual void	resetBadValues (double *xg)
	When called, this function should reset "bad" values in the state vector such as negative species concentrations.

virtual void	resize (size_t nv, size_t np)
	Resize the domain to have nv components and np grid points.

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

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

void	checkComponentIndex (size_t n) const
	Check that the specified component index is in range.

void	checkComponentArraySize (size_t nn) const
	Check that an array size is at least nComponents().

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

void	checkPointIndex (size_t n) const
	Check that the specified point index is in range.

void	checkPointArraySize (size_t nn) const
	Check that an array size is at least nPoints().

virtual string	componentName (size_t n) const
	Name of component `n`. May be overloaded.

void	setComponentName (size_t n, const string &name)
	Set the name of the component `n` to `name`.

virtual size_t	componentIndex (const string &name, bool checkAlias=true) const
	Index of component with name `name`.

virtual bool	hasComponent (const string &name, bool checkAlias=true) const
	Check whether the Domain contains a component.

virtual void	updateState (size_t loc)
	Update state at given location to state of associated Solution object.

void	setBounds (size_t n, double lower, double upper)
	Set the upper and lower bounds for a solution component, n.

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

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

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

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

double	steady_rtol (size_t n)
	Steady relative tolerance of the nth component.

double	steady_atol (size_t n)
	Steady absolute tolerance of the nth component.

double	transient_rtol (size_t n)
	Transient relative tolerance of the nth component.

double	transient_atol (size_t n)
	Transient absolute tolerance of the nth component.

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

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

void	initTimeInteg (double dt, const double *x0)
	Performs the setup required before starting a time-stepping solution.

void	setSteadyMode ()
	Set the internally-stored reciprocal of the time step to 0.0, which is used to indicate that the problem is in steady-state mode.

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

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

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

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

size_t	index (size_t n, size_t j) const
	Returns the index of the solution vector, which corresponds to component n at grid point j.

double	value (const double *x, size_t n, size_t j) const
	Returns the value of solution component n at grid point j of the solution vector x.

virtual double	value (const string &component) const
	Set a single component value at a boundary.

virtual void	setValue (const string &component, double value)
	Set a single component value in a flow domain or at a boundary.

vector< double >	values (const string &component) const
	Retrieve component values.

virtual void	getValues (const string &component, vector< double > &values) const
	Retrieve component values.

virtual void	setValues (const string &component, const vector< double > &values)
	Specify component values.

vector< double >	residuals (const string &component) const
	Retrieve internal work array values for a component.

virtual void	getResiduals (const string &component, vector< double > &values) const
	Retrieve internal work array values for a component.

virtual void	setProfile (const string &component, const vector< double > &pos, const vector< double > &values)
	Specify a profile for a component.

virtual void	setFlatProfile (const string &component, double value)
	Specify a flat profile for a component.

shared_ptr< SolutionArray >	asArray (const double *soln) const
	Save the state of this domain as a SolutionArray.

virtual shared_ptr< SolutionArray >	toArray (bool normalize=false) const
	Save the state of this domain to a SolutionArray.

void	fromArray (SolutionArray &arr, double *soln)
	Restore the solution for this domain from a SolutionArray.

virtual void	fromArray (const shared_ptr< SolutionArray > &arr)
	Restore the solution for this domain from a SolutionArray.

shared_ptr< Solution >	solution () const
	Return thermo/kinetics/transport manager used in the domain.

size_t	size () const
	Return the size of the solution vector (the product of m_nv and m_points).

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

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

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

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

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

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

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

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

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

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

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

string	id () const
	Returns the identifying tag for this domain.

virtual void	show (const double *x)
	Print the solution.

double	z (size_t jlocal) const
	Get the coordinate [m] of the point with local index `jlocal`

double	zmin () const
	Get the coordinate [m] of the first (leftmost) grid point in this domain.

double	zmax () const
	Get the coordinate [m] of the last (rightmost) grid point in this domain.

void	setProfile (const string &name, double values, double soln)
	Set initial values for a component at each grid point.

vector< double > &	grid ()
	Access the array of grid coordinates [m].

const vector< double > &	grid () const
	Access the array of grid coordinates [m].

void	setupGrid (const vector< double > &grid)
	Set up initial grid.

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

void	setupUniformGrid (size_t points, double length, double start=0.)
	Set up uniform grid.

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

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

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

void	forceFullUpdate (bool update)
	In some cases, for computational efficiency some properties (such as transport coefficients) may not be updated during Jacobian evaluations.

void	setData (shared_ptr< vector< double > > &data)
	Set shared data pointer.

Protected Member Functions
virtual AnyMap	getMeta () const
	Retrieve meta data.

virtual void	setMeta (const AnyMap &meta)
	Retrieve meta data.

Protected Attributes
shared_ptr< vector< double > >	m_state
	data pointer shared from OneDim

double	m_rdt = 0.0
	Reciprocal of the time step.

size_t	m_nv = 0
	Number of solution components.

size_t	m_points
	Number of grid points.

vector< double >	m_slast
	Solution vector at the last time step.

vector< double >	m_max
	Upper bounds on solution components.

vector< double >	m_min
	Lower bounds on solution components.

vector< double >	m_rtol_ss
	Relative tolerances for steady mode.

vector< double >	m_rtol_ts
	Relative tolerances for transient mode.

vector< double >	m_atol_ss
	Absolute tolerances for steady mode.

vector< double >	m_atol_ts
	Absolute tolerances for transient mode.

vector< double >	m_z
	1D spatial grid coordinates

OneDim *	m_container = nullptr
	Parent OneDim simulation containing this and adjacent domains.

size_t	m_index
	Left-to-right location of this domain.

size_t	m_iloc = 0
	Starting location within the solution vector for unknowns that correspond to this domain.

size_t	m_jstart = 0
	Index of the first point in this domain in the global point list.

Domain1D *	m_left = nullptr
	Pointer to the domain to the left.

Domain1D *	m_right = nullptr
	Pointer to the domain to the right.

string	m_id
	Identity tag for the domain.

unique_ptr< Refiner >	m_refiner
	Refiner object used for placing grid points.

vector< string >	m_name
	Names of solution components.

int	m_bw = -1
	See bandwidth()

bool	m_force_full_update = false
	see forceFullUpdate()

shared_ptr< Solution >	m_solution
	Composite thermo/kinetics/transport handler.

Constructor & Destructor Documentation

◆ Domain1D()

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

Constructor.

Parameters

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

Definition at line 19 of file Domain1D.cpp.

◆ ~Domain1D()

~Domain1D ( )

virtual

Definition at line 24 of file Domain1D.cpp.

Member Function Documentation

◆ domainType()

virtual string domainType ( ) const

inlinevirtual

Domain type flag.

Since: Starting in Cantera 3.1, the return type is a string.

Reimplemented in Boundary1D, Inlet1D, Empty1D, Symm1D, Outlet1D, OutletRes1D, Surf1D, ReactingSurf1D, Flow1D, and IonFlow.

Definition at line 45 of file Domain1D.h.

◆ type()

string type ( ) const

inline

String indicating the domain implemented.

Since: New in Cantera 3.0.

Deprecated:: Transitional method. Use domainType() instead.

Definition at line 50 of file Domain1D.h.

◆ domainIndex()

size_t domainIndex ( )

inline

The left-to-right location of this domain.

Definition at line 53 of file Domain1D.h.

◆ isConnector()

virtual bool isConnector ( )

inlinevirtual

True if the domain is a connector domain.

Reimplemented in Boundary1D.

Definition at line 58 of file Domain1D.h.

◆ setSolution()

void setSolution ( shared_ptr< Solution > sol )

Set the solution manager.

Since: New in Cantera 3.0.

Definition at line 31 of file Domain1D.cpp.

◆ setKinetics()

virtual void setKinetics ( shared_ptr< Kinetics > kin )

inlinevirtual

Set the kinetics manager.

Since: New in Cantera 3.0.

Reimplemented in ReactingSurf1D, and Flow1D.

Definition at line 68 of file Domain1D.h.

◆ setTransport()

virtual void setTransport ( shared_ptr< Transport > trans )

inlinevirtual

Set transport model to existing instance.

Since: New in Cantera 3.0.

Reimplemented in Flow1D.

Definition at line 74 of file Domain1D.h.

◆ setTransportModel()

virtual void setTransportModel ( const string & model )

inlinevirtual

Set transport model by name.

Parameters

model String specifying model name.

Since: New in Cantera 3.2.

Reimplemented in Flow1D.

Definition at line 81 of file Domain1D.h.

◆ container()

const OneDim & container ( ) const

inline

The container holding this domain.

Definition at line 86 of file Domain1D.h.

◆ setContainer()

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 92 of file Domain1D.h.

◆ setBandwidth()

void setBandwidth ( int bw = -1 )

inline

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

Definition at line 98 of file Domain1D.h.

◆ bandwidth()

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 117 of file Domain1D.h.

◆ init()

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 Boundary1D, Inlet1D, Empty1D, Symm1D, Outlet1D, OutletRes1D, Surf1D, and ReactingSurf1D.

Definition at line 126 of file Domain1D.h.

◆ resetBadValues()

virtual void resetBadValues ( double * xg )

inlinevirtual

When called, this function should reset "bad" values in the state vector such as negative species concentrations.

This function may be called after a failed solution attempt.

Reimplemented in ReactingSurf1D, and Flow1D.

Definition at line 133 of file Domain1D.h.

◆ resize()

void resize	(	size_t	nv,
		size_t	np
	)

virtual

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 Flow1D, and IonFlow.

Definition at line 44 of file Domain1D.cpp.

◆ refiner()

Refiner & refiner ( )

inline

Return a reference to the grid refiner.

Definition at line 143 of file Domain1D.h.

◆ nComponents()

size_t nComponents ( ) const

inline

Number of components at each grid point.

Definition at line 148 of file Domain1D.h.

◆ checkComponentIndex()

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

Deprecated:: To be removed after Cantera 3.2. Only used by legacy CLib.

Definition at line 155 of file Domain1D.h.

◆ checkComponentArraySize()

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.

Deprecated:: To be removed after Cantera 3.2. Unused.

Definition at line 167 of file Domain1D.h.

◆ nPoints()

size_t nPoints ( ) const

inline

Number of grid points in this domain.

Definition at line 176 of file Domain1D.h.

◆ checkPointIndex()

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

Deprecated:: To be removed after Cantera 3.2. Only used by legacy CLib.

Definition at line 183 of file Domain1D.h.

◆ checkPointArraySize()

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.

Deprecated:: To be removed after Cantera 3.2. Unused.

Definition at line 195 of file Domain1D.h.

◆ componentName()

string componentName ( size_t n ) const

virtual

Name of component n. May be overloaded.

Reimplemented in ReactingSurf1D, and Flow1D.

Definition at line 67 of file Domain1D.cpp.

◆ setComponentName()

void setComponentName	(	size_t	n,
		const string &	name
	)

inline

Set the name of the component n to name.

Definition at line 207 of file Domain1D.h.

◆ componentIndex()

size_t componentIndex	(	const string &	name,
		bool	checkAlias = `true`
	)		const

virtual

Index of component with name name.

Parameters

name	name of component
checkAlias	if `true` (default), check alias mapping

Reimplemented in ReactingSurf1D, and Flow1D.

Definition at line 76 of file Domain1D.cpp.

◆ hasComponent()

bool hasComponent	(	const string &	name,
		bool	checkAlias = `true`
	)		const

virtual

Check whether the Domain contains a component.

Parameters

name	name of component
checkAlias	if `true` (default), check alias mapping

Since: New in Cantera 3.2.

Reimplemented in Flow1D.

Definition at line 87 of file Domain1D.cpp.

◆ updateState()

virtual void updateState ( size_t loc )

inlinevirtual

Update state at given location to state of associated Solution object.

Reimplemented in Flow1D.

Definition at line 230 of file Domain1D.h.

◆ setBounds()

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

inline

Set the upper and lower bounds for a solution component, n.

Parameters

n	solution component index
lower	lower bound on component n
upper	upper bound on component n

Definition at line 242 of file Domain1D.h.

◆ setTransientTolerances()

void setTransientTolerances	(	double	rtol,
		double	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 98 of file Domain1D.cpp.

◆ setSteadyTolerances()

void setSteadyTolerances	(	double	rtol,
		double	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 111 of file Domain1D.cpp.

◆ rtol()

double rtol ( size_t n )

inline

Relative tolerance of the nth component.

Definition at line 268 of file Domain1D.h.

◆ atol()

double atol ( size_t n )

inline

Absolute tolerance of the nth component.

Definition at line 273 of file Domain1D.h.

◆ steady_rtol()

double steady_rtol ( size_t n )

inline

Steady relative tolerance of the nth component.

Definition at line 278 of file Domain1D.h.

◆ steady_atol()

double steady_atol ( size_t n )

inline

Steady absolute tolerance of the nth component.

Definition at line 283 of file Domain1D.h.

◆ transient_rtol()

double transient_rtol ( size_t n )

inline

Transient relative tolerance of the nth component.

Definition at line 288 of file Domain1D.h.

◆ transient_atol()

double transient_atol ( size_t n )

inline

Transient absolute tolerance of the nth component.

Definition at line 293 of file Domain1D.h.

◆ upperBound()

double upperBound ( size_t n ) const

inline

Upper bound on the nth component.

Definition at line 298 of file Domain1D.h.

◆ lowerBound()

double lowerBound ( size_t n ) const

inline

Lower bound on the nth component.

Definition at line 303 of file Domain1D.h.

◆ initTimeInteg()

void initTimeInteg	(	double	dt,
		const double *	x0
	)

inline

Performs the setup required before starting a time-stepping solution.

Stores the solution provided in x0 to the internal storage, and sets the reciprocal of the time step to 1/dt.

Parameters

[in]	dt	Time step
[in]	x0	Array to store the solution at the last time step

Definition at line 315 of file Domain1D.h.

◆ setSteadyMode()

void setSteadyMode ( )

inline

Set the internally-stored reciprocal of the time step to 0.0, which is used to indicate that the problem is in steady-state mode.

Definition at line 324 of file Domain1D.h.

◆ steady()

bool steady ( )

inline

True if in steady-state mode.

Definition at line 329 of file Domain1D.h.

◆ transient()

bool transient ( )

inline

True if not in steady-state mode.

Definition at line 334 of file Domain1D.h.

◆ needJacUpdate()

void needJacUpdate ( )

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

Definition at line 124 of file Domain1D.cpp.

◆ eval()

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

inlinevirtual

Evaluate the residual function at point j.

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

This function must be implemented in classes derived from Domain1D.

Parameters

[in]	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 Inlet1D, Empty1D, Symm1D, Outlet1D, OutletRes1D, Surf1D, ReactingSurf1D, and Flow1D.

Definition at line 357 of file Domain1D.h.

◆ index()

size_t index	(	size_t	n,
		size_t	j
	)		const

inline

Returns the index of the solution vector, which corresponds to component n at grid point j.

Parameters

n	component index
j	grid point index

Definition at line 368 of file Domain1D.h.

◆ value() [1/2]

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

inline

Returns the value of solution component n at grid point j of the solution vector x.

Parameters

x	solution vector
n	component index
j	grid point index

Deprecated:: To be removed after Cantera 3.2. Replaceable with version accessing component by name.

Definition at line 383 of file Domain1D.h.

◆ value() [2/2]

virtual double value ( const string & component ) const

inlinevirtual

Set a single component value at a boundary.

Parameters

component Name of the component.

Since: New in Cantera 3.2.

Reimplemented in ReactingSurf1D.

Definition at line 395 of file Domain1D.h.

◆ setValue()

virtual void setValue	(	const string &	component,
		double	value
	)

inlinevirtual

Set a single component value in a flow domain or at a boundary.

Parameters

component	Name of the component.
value	Value of the component.

Since: New in Cantera 3.2.

Definition at line 407 of file Domain1D.h.

◆ values()

vector< double > values ( const string & component ) const

inline

Retrieve component values.

Parameters

component Name of the component.

Returns: Vector of length nPoints() containing values at grid points.

Since: New in Cantera 3.2.

Definition at line 419 of file Domain1D.h.

◆ getValues()

virtual void getValues	(	const string &	component,
		vector< double > &	values
	)		const

inlinevirtual

Retrieve component values.

Parameters

	component	Name of the component.
[out]	values	Vector of length nPoints() containing values at grid points.

Since: New in Cantera 3.2.

Reimplemented in Flow1D.

Definition at line 432 of file Domain1D.h.

◆ setValues()

virtual void setValues	(	const string &	component,
		const vector< double > &	values
	)

inlinevirtual

Specify component values.

Parameters

	component	Name of the component.
[in]	values	Vector of length nPoints() containing values at grid points.

Since: New in Cantera 3.2.

Reimplemented in Flow1D.

Definition at line 444 of file Domain1D.h.

◆ residuals()

vector< double > residuals ( const string & component ) const

inline

Retrieve internal work array values for a component.

After calling Sim1D::eval(), this array contains the values of the residual function.

Parameters

component Name of the component.

Returns: Vector of length nPoints() containing residuals at grid points.

Since: New in Cantera 3.2.

Definition at line 458 of file Domain1D.h.

◆ getResiduals()

virtual void getResiduals	(	const string &	component,
		vector< double > &	values
	)		const

inlinevirtual

Retrieve internal work array values for a component.

After calling Sim1D::eval(), this array contains the values of the residual function.

Parameters

	component	Name of the component.
[out]	values	Vector of length nPoints() containing residuals at grid points.

Since: New in Cantera 3.2.

Reimplemented in Flow1D.

Definition at line 474 of file Domain1D.h.

◆ setProfile() [1/2]

virtual void setProfile	(	const string &	component,
		const vector< double > &	pos,
		const vector< double > &	values
	)

inlinevirtual

Specify a profile for a component.

Parameters

	component	Name of the component.
[in]	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.
[in]	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.

Since: New in Cantera 3.2.

Reimplemented in Flow1D.

Definition at line 494 of file Domain1D.h.

◆ setFlatProfile()

virtual void setFlatProfile	(	const string &	component,
		double	value
	)

inlinevirtual

Specify a flat profile for a component.

Parameters

component	Name of the component.
value	Constant value.

Since: New in Cantera 3.2.

Reimplemented in Flow1D.

Definition at line 507 of file Domain1D.h.

◆ asArray()

shared_ptr< SolutionArray > asArray ( const double * soln ) const

inline

Save the state of this domain as a SolutionArray.

Parameters

soln	local solution vector for this domain

Todo:: Despite the method's name, data are copied; the intent is to access data directly in future revisions, where a non-const version will be implemented.

Since: New in Cantera 3.0.

Deprecated:: To be removed after Cantera 3.2. Replaceable by toArray().

Definition at line 521 of file Domain1D.h.

◆ toArray()

virtual shared_ptr< SolutionArray > toArray ( bool normalize = false ) const

inlinevirtual

Save the state of this domain to a SolutionArray.

This method serves as an external interface for high-level API's; it does not provide direct access to memory.

Parameters

normalize If true, normalize concentrations (default=false)

Since: New in Cantera 3.0.

Reimplemented in Inlet1D, Empty1D, Symm1D, Outlet1D, OutletRes1D, Surf1D, ReactingSurf1D, and Flow1D.

Definition at line 535 of file Domain1D.h.

◆ fromArray() [1/2]

void fromArray	(	SolutionArray &	arr,
		double *	soln
	)

inline

Restore the solution for this domain from a SolutionArray.

Parameters

[in]	arr	SolutionArray defining the state of this domain
[out]	soln	Value of the solution vector, local to this domain

Since: New in Cantera 3.0.

Deprecated:: To be removed after Cantera 3.2. Replaceable by version that does not require solution vector.

Definition at line 548 of file Domain1D.h.

◆ fromArray() [2/2]

virtual void fromArray ( const shared_ptr< SolutionArray > & arr )

inlinevirtual

Restore the solution for this domain from a SolutionArray.

This method serves as an external interface for high-level API's.

Parameters

arr	SolutionArray defining the state of this domain

Since: New in Cantera 3.0.

Reimplemented in Boundary1D, Inlet1D, OutletRes1D, Surf1D, ReactingSurf1D, and Flow1D.

Definition at line 563 of file Domain1D.h.

◆ solution()

shared_ptr< Solution > solution ( ) const

inline

Return thermo/kinetics/transport manager used in the domain.

Since: New in Cantera 3.0.

Definition at line 569 of file Domain1D.h.

◆ size()

size_t size ( ) const

inline

Return the size of the solution vector (the product of m_nv and m_points).

Definition at line 574 of file Domain1D.h.

◆ locate()

void locate ( )

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 192 of file Domain1D.cpp.

◆ loc()

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 585 of file Domain1D.h.

◆ firstPoint()

size_t firstPoint ( ) const

inline

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

Definition at line 590 of file Domain1D.h.

◆ lastPoint()

size_t lastPoint ( ) const

inline

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

Definition at line 595 of file Domain1D.h.

◆ linkLeft()

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 603 of file Domain1D.h.

◆ linkRight()

void linkRight ( Domain1D * right )

inline

Set the right neighbor to domain 'right.'.

Definition at line 612 of file Domain1D.h.

◆ append()

void append ( Domain1D * right )

inline

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

Definition at line 620 of file Domain1D.h.

◆ left()

Domain1D * left ( ) const

inline

Return a pointer to the left neighbor.

Definition at line 626 of file Domain1D.h.

◆ right()

Domain1D * right ( ) const

inline

Return a pointer to the right neighbor.

Definition at line 631 of file Domain1D.h.

◆ prevSoln()

double prevSoln	(	size_t	n,
		size_t	j
	)		const

inline

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

Definition at line 636 of file Domain1D.h.

◆ setID()

void setID ( const string & s )

inline

Specify an identifying tag for this domain.

Definition at line 641 of file Domain1D.h.

◆ id()

string id ( ) const

inline

Returns the identifying tag for this domain.

Definition at line 646 of file Domain1D.h.

◆ show()

void show ( const double * x )

virtual

Print the solution.

Parameters

x	Pointer to the local portion of the system state vector

Reimplemented in Inlet1D, Empty1D, OutletRes1D, Surf1D, ReactingSurf1D, and Flow1D.

Definition at line 237 of file Domain1D.cpp.

◆ z()

double z ( size_t jlocal ) const

inline

Get the coordinate [m] of the point with local index jlocal

Definition at line 659 of file Domain1D.h.

◆ zmin()

double zmin ( ) const

inline

Get the coordinate [m] of the first (leftmost) grid point in this domain.

Definition at line 664 of file Domain1D.h.

◆ zmax()

double zmax ( ) const

inline

Get the coordinate [m] of the last (rightmost) grid point in this domain.

Definition at line 669 of file Domain1D.h.

◆ setProfile() [2/2]

void setProfile	(	const string &	name,
		double *	values,
		double *	soln
	)

Set initial values for a component at each grid point.

Parameters

name	Name of the component
values	Array of length nPoints() containing the initial values
soln	Pointer to the local portion of the system state vector

Deprecated:: To be removed after Cantera 3.2. Replaceable by version using vectors arguments.

Definition at line 271 of file Domain1D.cpp.

◆ grid() [1/2]

vector< double > & grid ( )

inline

Access the array of grid coordinates [m].

Definition at line 682 of file Domain1D.h.

◆ grid() [2/2]

const vector< double > & grid ( ) const

inline

Access the array of grid coordinates [m].

Definition at line 687 of file Domain1D.h.

◆ setupGrid() [1/2]

void setupGrid ( const vector< double > & grid )

Set up initial grid.

Since: New in Cantera 3.2.

Definition at line 212 of file Domain1D.cpp.

◆ setupGrid() [2/2]

void setupGrid	(	size_t	n,
		const double *	z
	)

virtual

called to set up initial grid, and after grid refinement

Reimplemented in Boundary1D, and Flow1D.

Definition at line 217 of file Domain1D.cpp.

◆ setupUniformGrid()

void setupUniformGrid	(	size_t	points,
		double	length,
		double	start = `0.`
	)

Set up uniform grid.

Parameters

points	Number of grid points
length	Length of domain
start	Start position of domain (default=0.)

Since: New in Cantera 3.2.

Definition at line 227 of file Domain1D.cpp.

◆ _getInitialSoln()

void _getInitialSoln ( double * 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, and Flow1D.

Definition at line 287 of file Domain1D.cpp.

◆ initialValue()

double initialValue	(	size_t	n,
		size_t	j
	)

virtual

Initial value of solution component n at grid point j.

Definition at line 296 of file Domain1D.cpp.

◆ _finalize()

virtual void _finalize ( const double * 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 ReactingSurf1D, and Flow1D.

Definition at line 725 of file Domain1D.h.

◆ forceFullUpdate()

void forceFullUpdate ( bool update )

inline

In some cases, for computational efficiency some properties (such as transport coefficients) may not be updated during Jacobian evaluations.

Set this to true to force these properties to be updated even while calculating Jacobian elements.

Definition at line 733 of file Domain1D.h.

◆ setData()

void setData ( shared_ptr< vector< double > > & data )

inline

Set shared data pointer.

Definition at line 738 of file Domain1D.h.

◆ getMeta()

AnyMap getMeta ( ) const

protectedvirtual

Retrieve meta data.

Reimplemented in Flow1D.

Definition at line 132 of file Domain1D.cpp.

◆ setMeta()

void setMeta ( const AnyMap & meta )

protectedvirtual

Retrieve meta data.

Reimplemented in Flow1D.

Definition at line 160 of file Domain1D.cpp.

Member Data Documentation

◆ m_state

shared_ptr<vector<double> > m_state

protected

data pointer shared from OneDim

Definition at line 749 of file Domain1D.h.

◆ m_rdt

double m_rdt = 0.0

protected

Reciprocal of the time step.

Definition at line 751 of file Domain1D.h.

◆ m_nv

size_t m_nv = 0

protected

Number of solution components.

Definition at line 752 of file Domain1D.h.

◆ m_points

size_t m_points

protected

Number of grid points.

Definition at line 753 of file Domain1D.h.

◆ m_slast

vector<double> m_slast

protected

Solution vector at the last time step.

Definition at line 754 of file Domain1D.h.

◆ m_max

vector<double> m_max

protected

Upper bounds on solution components.

Definition at line 755 of file Domain1D.h.

◆ m_min

vector<double> m_min

protected

Lower bounds on solution components.

Definition at line 756 of file Domain1D.h.

◆ m_rtol_ss

vector<double> m_rtol_ss

protected

Relative tolerances for steady mode.

Definition at line 757 of file Domain1D.h.

◆ m_rtol_ts

vector<double> m_rtol_ts

protected

Relative tolerances for transient mode.

Definition at line 758 of file Domain1D.h.

◆ m_atol_ss

vector<double> m_atol_ss

protected

Absolute tolerances for steady mode.

Definition at line 759 of file Domain1D.h.

◆ m_atol_ts

vector<double> m_atol_ts

protected

Absolute tolerances for transient mode.

Definition at line 760 of file Domain1D.h.

◆ m_z

vector<double> m_z

protected

1D spatial grid coordinates

Definition at line 761 of file Domain1D.h.

◆ m_container

OneDim* m_container = nullptr

protected

Parent OneDim simulation containing this and adjacent domains.

Definition at line 764 of file Domain1D.h.

◆ m_index

size_t m_index

protected

Left-to-right location of this domain.

Definition at line 766 of file Domain1D.h.

◆ m_iloc

size_t m_iloc = 0

protected

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

Remember there may be multiple domains associated with this problem

Definition at line 773 of file Domain1D.h.

◆ m_jstart

size_t m_jstart = 0

protected

Index of the first point in this domain in the global point list.

See also: firstPoint(), lastPoint()

Definition at line 777 of file Domain1D.h.

◆ m_left

Domain1D* m_left = nullptr

protected

Pointer to the domain to the left.

Definition at line 779 of file Domain1D.h.

◆ m_right

Domain1D* m_right = nullptr

protected

Pointer to the domain to the right.

Definition at line 780 of file Domain1D.h.

◆ m_id

string m_id

protected

Identity tag for the domain.

Definition at line 783 of file Domain1D.h.

◆ m_refiner

unique_ptr<Refiner> m_refiner

protected

Refiner object used for placing grid points.

Definition at line 784 of file Domain1D.h.

◆ m_name

vector<string> m_name

protected

Names of solution components.

Definition at line 785 of file Domain1D.h.

◆ m_bw

int m_bw = -1

protected

See bandwidth()

Definition at line 786 of file Domain1D.h.

◆ m_force_full_update

bool m_force_full_update = false

protected

see forceFullUpdate()

Definition at line 787 of file Domain1D.h.

◆ m_solution

shared_ptr<Solution> m_solution

protected

Composite thermo/kinetics/transport handler.

Definition at line 790 of file Domain1D.h.

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

Detailed Description

Public Member Functions

Protected Member Functions

Protected Attributes

Constructor & Destructor Documentation

◆ Domain1D()

◆ ~Domain1D()

Member Function Documentation

◆ domainType()

◆ type()

◆ domainIndex()

◆ isConnector()

◆ setSolution()

◆ setKinetics()

◆ setTransport()

◆ setTransportModel()

◆ container()

◆ setContainer()

◆ setBandwidth()

◆ bandwidth()

◆ init()

◆ resetBadValues()

◆ resize()

◆ refiner()

◆ nComponents()

◆ checkComponentIndex()

◆ checkComponentArraySize()

◆ nPoints()

◆ checkPointIndex()

◆ checkPointArraySize()

◆ componentName()

◆ setComponentName()

◆ componentIndex()

◆ hasComponent()

◆ updateState()

◆ setBounds()

◆ setTransientTolerances()

◆ setSteadyTolerances()

◆ rtol()

◆ atol()

◆ steady_rtol()

◆ steady_atol()

◆ transient_rtol()

◆ transient_atol()

◆ upperBound()

◆ lowerBound()

◆ initTimeInteg()

◆ setSteadyMode()

◆ steady()

◆ transient()

◆ needJacUpdate()

◆ eval()

◆ index()

◆ value() [1/2]

◆ value() [2/2]

◆ setValue()

◆ values()

◆ getValues()

◆ setValues()

◆ residuals()

◆ getResiduals()

◆ setProfile() [1/2]

◆ setFlatProfile()

◆ asArray()

◆ toArray()

◆ fromArray() [1/2]

◆ fromArray() [2/2]

◆ solution()

◆ size()

◆ locate()

◆ loc()

◆ firstPoint()

◆ lastPoint()

◆ linkLeft()

◆ linkRight()

◆ append()

◆ left()

◆ right()

◆ prevSoln()

◆ setID()