One-dimensional simulations. More...

#include <Sim1D.h>

Inheritance diagram for Sim1D:

Collaboration diagram for Sim1D:

Public Member Functions
	Sim1D ()
	Default constructor. More...

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

void	save (const std::string &fname, const std::string &id, const std::string &desc, int loglevel=1)

void	saveResidual (const std::string &fname, const std::string &id, const std::string &desc, int loglevel=1)

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

void	showSolution ()

const doublereal *	solution ()

void	setTimeStep (double stepsize, size_t n, const int *tsteps)

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

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

void	getResidual (double rdt, double *resid)

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

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

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

vector_fp	getRefineCriteria (int dom)
	Get the grid refinement criteria. More...

void	setMaxGridPoints (int dom, int npoints)
	Set the maximum number of grid points in the domain. More...

size_t	maxGridPoints (size_t dom)
	Get the maximum number of grid points in this domain. More...

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

void	restore (const std::string &fname, const std::string &id, int loglevel=2)
	Initialize the solution with a previously-saved solution. More...

void	restoreTimeSteppingSolution ()
	Set the current solution vector to the last successful time-stepping solution. More...

void	restoreSteadySolution ()
	Set the current solution vector and grid to the last successful steady- state solution. More...

void	getInitialSoln ()

void	setSolution (const doublereal *soln)

const doublereal *	solution () const

doublereal	jacobian (int i, int j)

void	evalSSJacobian ()

void	solveAdjoint (const double b, double lambda)
	Solve the equation \( J^T \lambda = b \). More...

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

void	setSteadyCallback (Func1 *callback)
	Set a function that will be called after each successful steady-state solve, before regridding. More...

Setting initial values
These methods are used to set the initial values of solution components.
void	setInitialGuess (const std::string &component, vector_fp &locs, vector_fp &vals)
	Set initial guess for one component for all domains. More...

void	setValue (size_t dom, size_t comp, size_t localPoint, doublereal value)
	Set a single value in the solution vector. More...

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

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. More...

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

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

	OneDim (const OneDim &)=delete

OneDim &	operator= (const OneDim &)=delete

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

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

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

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

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

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

size_t	domainIndex (const std::string &name)

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

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

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

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

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

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

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

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

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

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

void	init ()

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

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

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

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

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

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

void	setSteadyMode ()

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

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

vector_int &	transientMask ()

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

void	resetBadValues (double *x)

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

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

void	setMinTimeStep (doublereal tmin)

void	setMaxTimeStep (doublereal tmax)

void	setTimeStepFactor (doublereal tfactor)

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

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

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

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

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

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

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

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

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

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

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

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

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

Protected Attributes
vector_fp	m_x
	the solution vector More...

vector_fp	m_xlast_ts
	the solution vector after the last successful timestepping More...

vector_fp	m_xlast_ss
	the solution vector after the last successful steady-state solve (stored before grid refinement) More...

std::vector< vector_fp >	m_grid_last_ss
	the grids for each domain after the last successful steady-state solve (stored before grid refinement) More...

vector_fp	m_xnew
	a work array used to hold the residual or the new solution More...

doublereal	m_tstep
	timestep More...

vector_int	m_steps
	array of number of steps to take before re-attempting the steady-state solution More...

Func1 *	m_steady_callback
	User-supplied function called after a successful steady-state solve. More...

Protected Attributes inherited from OneDim
doublereal	m_tmin
	minimum timestep size More...

doublereal	m_tmax
	maximum timestep size More...

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

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

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

doublereal	m_rdt
	reciprocal of time step More...

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

size_t	m_bw
	Jacobian bandwidth. More...

size_t	m_size
	solution vector size More...

std::vector< Domain1D * >	m_dom

std::vector< Domain1D * >	m_connect

std::vector< Domain1D * >	m_bulk

bool	m_init

std::vector< size_t >	m_nvars

std::vector< size_t >	m_loc

vector_int	m_mask

size_t	m_pts

doublereal	m_solve_time

int	m_ss_jac_age

int	m_ts_jac_age

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

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

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

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

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

int	newtonSolve (int loglevel)
	Wrapper around the Newton solver. More...

Additional Inherited Members
Protected Member Functions inherited from OneDim
void	evalSSJacobian (doublereal x, doublereal xnew)

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 21 of file Sim1D.h.

Constructor & Destructor Documentation

◆ Sim1D() [1/2]

Sim1D ( )

inline

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 29 of file Sim1D.h.

◆ Sim1D() [2/2]

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 21 of file Sim1D.cpp.

References Domain1D::_getInitialSoln(), OneDim::domain(), Sim1D::m_steps, Sim1D::m_tstep, Sim1D::m_x, OneDim::nDomains(), Sim1D::resize(), and OneDim::start().

Member Function Documentation

◆ setInitialGuess()

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

Set initial guess for one component for all domains.

Parameters

component	component name
locs	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.
vals	A vector of values corresponding to the relative position locations.

Definition at line 37 of file Sim1D.cpp.

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

◆ setValue()

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

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 50 of file Sim1D.cpp.

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

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

◆ value()

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 58 of file Sim1D.cpp.

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

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

◆ setProfile()

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 74 of file Sim1D.cpp.

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

Referenced by Sim1D::setInitialGuess().

◆ setFlatProfile()

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 140 of file Sim1D.cpp.

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

◆ showSolution()

void showSolution ( std::ostream & s )

Print to stream s the current solution for all domains.

Definition at line 148 of file Sim1D.cpp.

References OneDim::domain(), Domain1D::domainType(), Sim1D::m_x, OneDim::nDomains(), and OneDim::start().

◆ refine()

int refine ( int loglevel = 0 )

Refine the grid in all domains.

Definition at line 341 of file Sim1D.cpp.

References OneDim::domain(), Sim1D::finalize(), Sim1D::m_grid_last_ss, Sim1D::m_x, Sim1D::m_xlast_ss, Domain1D::nComponents(), OneDim::nDomains(), Domain1D::nPoints(), Domain1D::refiner(), Sim1D::resize(), Domain1D::setupGrid(), OneDim::start(), Sim1D::value(), and Cantera::writelog().

◆ setFixedTemperature()

int setFixedTemperature ( doublereal t )

Add node for fixed temperature point of freely propagating flame.

Definition at line 427 of file Sim1D.cpp.

References OneDim::domain(), Domain1D::domainType(), Sim1D::finalize(), StFlow::m_tfixed, Sim1D::m_x, StFlow::m_zfixed, Domain1D::nComponents(), OneDim::nDomains(), Domain1D::nPoints(), Sim1D::resize(), Domain1D::setupGrid(), and Sim1D::value().

◆ setRefineCriteria()

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

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 514 of file Sim1D.cpp.

References OneDim::domain(), OneDim::nDomains(), Domain1D::refiner(), and Refiner::setCriteria().

◆ getRefineCriteria()

vector_fp getRefineCriteria ( int dom )

Get the grid refinement criteria.

dom must be greater than or equal to zero (i.e., the domain must be specified).

See also: Refiner::getCriteria

Definition at line 528 of file Sim1D.cpp.

References OneDim::domain(), Refiner::getCriteria(), and Domain1D::refiner().

◆ setMaxGridPoints()

void setMaxGridPoints	(	int	dom,
		int	npoints
	)

Set the maximum number of grid points in the domain.

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::setMaxPoints.

Definition at line 552 of file Sim1D.cpp.

References OneDim::domain(), OneDim::nDomains(), Domain1D::refiner(), and Refiner::setMaxPoints().

◆ maxGridPoints()

size_t maxGridPoints ( size_t dom )

Get the maximum number of grid points in this domain.

See also: Refiner::maxPoints

Parameters

dom	domain number, beginning with 0 for the leftmost domain.

Definition at line 565 of file Sim1D.cpp.

References OneDim::domain(), Refiner::maxPoints(), and Domain1D::refiner().

◆ setGridMin()

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 539 of file Sim1D.cpp.

References OneDim::domain(), OneDim::nDomains(), Domain1D::refiner(), and Refiner::setGridMin().

◆ restore()

void restore	(	const std::string &	fname,
		const std::string &	id,
		int	loglevel = `2`
	)

Initialize the solution with a previously-saved solution.

Definition at line 107 of file Sim1D.cpp.

References XML_Node::build(), OneDim::domain(), Sim1D::finalize(), XML_Node::findID(), XML_Node::getChildren(), Cantera::intValue(), OneDim::loc(), Sim1D::m_x, Sim1D::m_xlast_ts, OneDim::nDomains(), Domain1D::resize(), Sim1D::resize(), Domain1D::restore(), and Cantera::writelog().

◆ restoreTimeSteppingSolution()

void restoreTimeSteppingSolution ( )

Set the current solution vector to the last successful time-stepping solution.

This can be used to examine the solver progress after a failed integration.

Definition at line 168 of file Sim1D.cpp.

References Sim1D::m_x, and Sim1D::m_xlast_ts.

◆ restoreSteadySolution()

void restoreSteadySolution ( )

Set the current solution vector and grid to the last successful steady- state solution.

This can be used to examine the solver progress after a failure during grid refinement.

Definition at line 177 of file Sim1D.cpp.

References OneDim::domain(), Sim1D::m_grid_last_ss, Sim1D::m_x, Sim1D::m_xlast_ss, OneDim::nDomains(), and Domain1D::setupGrid().

◆ solveAdjoint()

void solveAdjoint	(	const double *	b,
		double *	lambda
	)

Solve the equation \( J^T \lambda = b \).

Here, \( J = \partial f/\partial x \) is the Jacobian matrix of the system of equations \( f(x,p)=0 \). This can be used to efficiently solve for the sensitivities of a scalar objective function \( g(x,p) \) to a vector of parameters \( p \) by solving:

\[ J^T \lambda = \left( \frac{\partial g}{\partial x} \right)^T \]

for \( \lambda \) and then computing:

\[ \left.\frac{dg}{dp}\right|_{f=0} = \frac{\partial g}{\partial p} - \lambda^T \frac{\partial f}{\partial p} \]

Definition at line 581 of file Sim1D.cpp.

◆ resize()

void resize ( )

virtual

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

Reimplemented from OneDim.

Definition at line 605 of file Sim1D.cpp.

References Sim1D::m_x, Sim1D::m_xnew, OneDim::resize(), and OneDim::size().

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

◆ setSteadyCallback()

void setSteadyCallback ( Func1 * callback )

inline

Set a function that will be called after each successful steady-state solve, before regridding.

Intended to be used for observing solver progress for debugging purposes.

Definition at line 218 of file Sim1D.h.

References Sim1D::m_steady_callback.

◆ finalize()

void finalize ( )

private

Calls method _finalize in each domain.

Definition at line 197 of file Sim1D.cpp.

References Domain1D::_finalize(), OneDim::domain(), Sim1D::m_x, OneDim::nDomains(), and OneDim::start().

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

◆ newtonSolve()

int newtonSolve ( int loglevel )

private

Wrapper around the Newton solver.

Returns: 0 if successful, -1 on failure

Definition at line 213 of file Sim1D.cpp.

References Sim1D::m_x, Sim1D::m_xnew, and OneDim::solve().

Member Data Documentation

◆ m_x

vector_fp m_x

protected

the solution vector

Definition at line 224 of file Sim1D.h.

Referenced by Sim1D::finalize(), Sim1D::newtonSolve(), Sim1D::refine(), Sim1D::resize(), Sim1D::restore(), Sim1D::restoreSteadySolution(), Sim1D::restoreTimeSteppingSolution(), Sim1D::setFixedTemperature(), Sim1D::setValue(), Sim1D::showSolution(), Sim1D::Sim1D(), and Sim1D::value().

◆ m_xlast_ts

vector_fp m_xlast_ts

protected

the solution vector after the last successful timestepping

Definition at line 227 of file Sim1D.h.

Referenced by Sim1D::restore(), and Sim1D::restoreTimeSteppingSolution().

◆ m_xlast_ss

vector_fp m_xlast_ss

protected

the solution vector after the last successful steady-state solve (stored before grid refinement)

Definition at line 231 of file Sim1D.h.

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

◆ m_grid_last_ss

std::vector<vector_fp> m_grid_last_ss

protected

the grids for each domain after the last successful steady-state solve (stored before grid refinement)

Definition at line 235 of file Sim1D.h.

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

◆ m_xnew

vector_fp m_xnew

protected

a work array used to hold the residual or the new solution

Definition at line 238 of file Sim1D.h.

Referenced by Sim1D::newtonSolve(), and Sim1D::resize().

◆ m_tstep

doublereal m_tstep

protected

timestep

Definition at line 241 of file Sim1D.h.

Referenced by Sim1D::Sim1D().

◆ m_steps

vector_int m_steps

protected

array of number of steps to take before re-attempting the steady-state solution

Definition at line 245 of file Sim1D.h.

Referenced by Sim1D::Sim1D().

◆ m_steady_callback

Func1* m_steady_callback

protected

User-supplied function called after a successful steady-state solve.

Definition at line 248 of file Sim1D.h.

Referenced by Sim1D::setSteadyCallback().

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

Public Member Functions

Protected Attributes

Private Member Functions

Additional Inherited Members

Detailed Description

Constructor & Destructor Documentation

◆ Sim1D() [1/2]

◆ Sim1D() [2/2]

Member Function Documentation

◆ setInitialGuess()

◆ setValue()

◆ value()

◆ setProfile()

◆ setFlatProfile()

◆ showSolution()

◆ refine()

◆ setFixedTemperature()

◆ setRefineCriteria()

◆ getRefineCriteria()

◆ setMaxGridPoints()

◆ maxGridPoints()

◆ setGridMin()

◆ restore()

◆ restoreTimeSteppingSolution()

◆ restoreSteadySolution()

◆ solveAdjoint()

◆ resize()

◆ setSteadyCallback()

◆ finalize()

◆ newtonSolve()

Member Data Documentation

◆ m_x

◆ m_xlast_ts

◆ m_xlast_ss

◆ m_grid_last_ss

◆ m_xnew

◆ m_tstep

◆ m_steps

◆ m_steady_callback