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Public Member Functions | Protected Member Functions | Protected Attributes | Private Attributes | List of all members
OneDim Class Reference
One-Dimensional Reacting Flows

Container class for multiple-domain 1D problems. More...

`#include <OneDim.h>`

Inheritance diagram for OneDim:
[legend]

## Detailed Description

Container class for multiple-domain 1D problems.

Each domain is represented by an instance of Domain1D.

Definition at line 26 of file OneDim.h.

## Public Member Functions
| OneDim (vector< shared_ptr< Domain1D > > &domains)
| Construct a OneDim container for the domains in the list domains.
| OneDim (vector< Domain1D * > domains)
| OneDim (const OneDim &)=delete
OneDim & | operator= (const OneDim &)=delete
void | addDomain (shared_ptr< Domain1D > d)
| Add a domain. Domains are added left-to-right.
void | addDomain (Domain1D *d)
MultiJac & | jacobian ()
| Return a reference to the Jacobian evaluator of an OneDim object.
MultiNewton & | newton ()
| Return a reference to the Newton iterator.
int | solve (double *x0, double *x1, int loglevel)
| Solve F(x) = 0, where F(x) is the multi-domain residual function.
size_t | nDomains () const
| Number of domains.
Domain1D & | domain (size_t i) const
| Return a reference to domain i.
size_t | domainIndex (const string &name)
void | checkDomainIndex (size_t n) const
| Check that the specified domain index is in range.
void | checkDomainArraySize (size_t nn) const
| Check that an array size is at least nDomains().
size_t | start (size_t i) const
| The index of the start of domain i in the solution vector.
size_t | size () const
| Total solution vector length;.
Domain1D * | left ()
| Pointer to left-most domain (first added).
Domain1D * | right ()
| Pointer to right-most domain (last added).
size_t | nVars (size_t jg)
| Number of solution components at global point jg.
size_t | loc (size_t jg)
| Location in the solution vector of the first component of global point jg.
std::tuple< string, size_t, string > | component (size_t i)
| Return the domain, local point index, and component name for the i-th component of the global solution vector.
size_t | bandwidth () const
| Jacobian bandwidth.
void | init ()
| Initialize all domains.
size_t | points ()
| Total number of points.
double | ssnorm (double *x, double *r)
| Steady-state max norm (infinity norm) of the residual evaluated using solution x.
double | rdt () const
| Reciprocal of the time step.
void | initTimeInteg (double dt, double *x)
| Prepare for time stepping beginning with solution x and timestep dt.
bool | transient () const
| True if transient mode.
bool | steady () const
| True if steady mode.
void | setSteadyMode ()
| Prepare to solve the steady-state problem.
void | eval (size_t j, double *x, double *r, double rdt=-1.0, int count=1)
| Evaluate the multi-domain residual function.
Domain1D * | pointDomain (size_t i)
| Return a pointer to the domain global point i belongs to.
virtual void | resize ()
| Call after one or more grids has changed size, for example after being refined.
vector< int > & | transientMask ()
double | timeStep (int nsteps, double dt, double *x, double *r, int loglevel)
| Take time steps using Backward Euler.
void | resetBadValues (double *x)
void | writeStats (int printTime=1)
| Write statistics about the number of iterations and Jacobians at each grid level.
AnyMap | serialize (const double *soln) const
void | setMinTimeStep (double tmin)
void | setMaxTimeStep (double tmax)
void | setTimeStepFactor (double tfactor)
void | setMaxTimeStepCount (int nmax)
| Set the maximum number of timeteps allowed before successful steady-state solve.
int | maxTimeStepCount () const
| Return the maximum number of timeteps allowed before successful steady-state solve.
void | setJacAge (int ss_age, int ts_age=-1)
void | saveStats ()
| Save statistics on function and Jacobian evaluation, and reset the counters.
void | clearStats ()
| Clear saved statistics.
const vector< size_t > & | gridSizeStats ()
| Return total grid size in each call to solve()
const vector< double > & | jacobianTimeStats ()
| Return CPU time spent evaluating Jacobians in each call to solve()
const vector< double > & | evalTimeStats ()
| Return CPU time spent on non-Jacobian function evaluations in each call to solve()
const vector< int > & | jacobianCountStats ()
| Return number of Jacobian evaluations made in each call to solve()
const vector< int > & | evalCountStats ()
| Return number of non-Jacobian function evaluations made in each call to solve()
const vector< int > & | timeStepStats ()
| Return number of time steps taken in each call to solve()
void | setInterrupt (Func1 *interrupt)
| Set a function that will be called every time eval is called.
void | setTimeStepCallback (Func1 *callback)
| Set a function that will be called after each successful timestep.

## Protected Member Functions
void | evalSSJacobian (double *x, double *xnew)

## Protected Attributes
double | m_tmin = 1e-16
| minimum timestep size
double | m_tmax = 1e+08
| maximum timestep size
double | m_tfactor = 0.5
| factor time step is multiplied by if time stepping fails ( < 1 )
shared_ptr< vector< double > > | m_state
| Solution vector.
unique_ptr< MultiJac > | m_jac
| Jacobian evaluator.
unique_ptr< MultiNewton > | m_newt
| Newton iterator.
double | m_rdt = 0.0
| reciprocal of time step
bool | m_jac_ok = false
| if true, Jacobian is current
size_t | m_bw = 0
| Jacobian bandwidth.
size_t | m_size = 0
| solution vector size
vector< shared_ptr< Domain1D > > | m_sharedDom
vector< shared_ptr< Domain1D > > | m_sharedConnect
vector< shared_ptr< Domain1D > > | m_sharedBulk
vector< Domain1D * > | m_dom
vector< Domain1D * > | m_connect
vector< Domain1D * > | m_bulk
bool | m_init = false
vector< size_t > | m_nvars
vector< size_t > | m_loc
vector< int > | m_mask
size_t | m_pts = 0
int | m_ss_jac_age = 20
int | m_ts_jac_age = 20
Func1 * | m_interrupt = nullptr
| Function called at the start of every call to eval.
Func1 * | m_time_step_callback = nullptr
| User-supplied function called after each successful timestep.
int | m_nsteps = 0
| Number of time steps taken in the current call to solve()
int | m_nsteps_max = 500
| Maximum number of timesteps allowed per call to solve()

## Private Attributes
int | m_nevals = 0
double | m_evaltime = 0
vector< size_t > | m_gridpts
vector< int > | m_jacEvals
vector< double > | m_jacElapsed
vector< int > | m_funcEvals
vector< double > | m_funcElapsed
vector< int > | m_timeSteps
| Number of time steps taken in each call to solve() (for example, for each successive grid refinement)

## Constructor & Destructor Documentation

## ◆ OneDim() [1/3]

OneDim | ( |  | ) |

Definition at line 19 of file OneDim.cpp.

## ◆ OneDim() [2/3]

OneDim | ( | vector< shared_ptr< Domain1D > > & | domains | ) |

Construct a OneDim container for the domains in the list domains.

Definition at line 24 of file OneDim.cpp.

## ◆ OneDim() [3/3]

OneDim | ( | vector< Domain1D * > | domains | ) |

Deprecated:
  To be removed after Cantera 3.0; superseded by OneDim() using vector<shared_ptr<Domain1D>>

Definition at line 36 of file OneDim.cpp.

## ◆ ~OneDim()

~OneDim | ( |  | ) |
| virtual

Definition at line 52 of file OneDim.cpp.

## Member Function Documentation

## ◆ addDomain() [1/2]

void addDomain | ( | shared_ptr< Domain1D > | d | ) |

Add a domain. Domains are added left-to-right.

Definition at line 80 of file OneDim.cpp.

## ◆ addDomain() [2/2]

void addDomain | ( | Domain1D * | d | ) |

Deprecated:
  To be removed after Cantera 3.0; superseded by addDomain() using shared_ptr<Domain1D>

Definition at line 106 of file OneDim.cpp.

## ◆ newton()

MultiNewton & newton | ( |  | ) |

Return a reference to the Newton iterator.

Definition at line 137 of file OneDim.cpp.

## ◆ solve()

int solve | ( | double * | x0,
|  | double * | x1,
|  | int | loglevel
| ) |  |

Solve F(x) = 0, where F(x) is the multi-domain residual function.

Parameters

  x0 | Starting estimate of solution.
  x1 | Final solution satisfying F(x1) = 0.
  loglevel | Controls amount of diagnostic output.

Definition at line 258 of file OneDim.cpp.

## ◆ nDomains()

size_t nDomains | ( |  | ) | const
| inline

Number of domains.

Definition at line 64 of file OneDim.h.

## ◆ domain()

Domain1D & domain | ( | size_t | i | ) | const
| inline

Return a reference to domain i.

Definition at line 69 of file OneDim.h.

## ◆ domainIndex()

size_t domainIndex | ( | const string & | name | ) |

Definition at line 56 of file OneDim.cpp.

## ◆ checkDomainIndex()

void checkDomainIndex | ( | size_t | n | ) | const
| inline

Check that the specified domain index is in range.

Throws an exception if n is greater than nDomains()-1

Definition at line 77 of file OneDim.h.

## ◆ checkDomainArraySize()

void checkDomainArraySize | ( | size_t | nn | ) | const
| inline

Check that an array size is at least nDomains().

Throws an exception if nn is less than nDomains(). Used before calls which take an array pointer.

Definition at line 87 of file OneDim.h.

## ◆ start()

size_t start | ( | size_t | i | ) | const
| inline

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

Definition at line 95 of file OneDim.h.

## ◆ size()

size_t size | ( |  | ) | const
| inline

Total solution vector length;.

Definition at line 106 of file OneDim.h.

## ◆ left()

Domain1D * left | ( |  | ) |
| inline

Pointer to left-most domain (first added).

Definition at line 111 of file OneDim.h.

## ◆ right()

Domain1D * right | ( |  | ) |
| inline

Pointer to right-most domain (last added).

Definition at line 116 of file OneDim.h.

## ◆ nVars()

size_t nVars | ( | size_t | jg | ) |
| inline

Number of solution components at global point jg.

Definition at line 121 of file OneDim.h.

## ◆ loc()

size_t loc | ( | size_t | jg | ) |
| inline

Location in the solution vector of the first component of global point jg.

Definition at line 127 of file OneDim.h.

## ◆ component()

std::tuple< string, size_t, string > component | ( | size_t | i | ) |

Return the domain, local point index, and component name for the i-th component of the global solution vector.

Definition at line 66 of file OneDim.cpp.

## ◆ bandwidth()

size_t bandwidth | ( |  | ) | const
| inline

Jacobian bandwidth.

Definition at line 136 of file OneDim.h.

## ◆ init()

void init | ( |  | ) |

Initialize all domains.

On the first call, this methods calls the init method of each domain, proceeding from left to right. Subsequent calls do nothing.

Definition at line 370 of file OneDim.cpp.

## ◆ points()

size_t points | ( |  | ) |
| inline

Total number of points.

Definition at line 148 of file OneDim.h.

## ◆ ssnorm()

double ssnorm | ( | double * | x,
|  | double * | r
| ) |  |

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

On return, array r contains the steady-state residual values. Used only for diagnostic output.

Definition at line 324 of file OneDim.cpp.

## ◆ rdt()

double rdt | ( |  | ) | const
| inline

Reciprocal of the time step.

Definition at line 160 of file OneDim.h.

## ◆ initTimeInteg()

void initTimeInteg | ( | double | dt,
|  | double * | x
| ) |  |

Prepare for time stepping beginning with solution x and timestep dt.

Definition at line 334 of file OneDim.cpp.

## ◆ transient()

bool transient | ( |  | ) | const
| inline

True if transient mode.

Definition at line 168 of file OneDim.h.

## ◆ steady()

bool steady | ( |  | ) | const
| inline

True if steady mode.

Definition at line 173 of file OneDim.h.

## ◆ setSteadyMode()

void setSteadyMode | ( |  | ) |

Prepare to solve the steady-state problem.

After invoking this method, subsequent calls to solve() will solve the steady-state problem. Sets the reciprocal of the time step to zero, and, if it was previously non- zero, signals that a new Jacobian will be needed.

Definition at line 353 of file OneDim.cpp.

## ◆ eval()

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

Evaluate the multi-domain residual function.

Parameters

  j | if j != npos, only evaluate residual for points j-1, j, and j + 1; otherwise, evaluate at all grid points.
  x | solution vector
  r | on return, contains the residual vector
  rdt | Reciprocal of the time step. if omitted, then the default value is used.
  count | Set to zero to omit this call from the statistics

Definition at line 292 of file OneDim.cpp.

## ◆ pointDomain()

Domain1D * pointDomain | ( | size_t | i | ) |

Return a pointer to the domain global point i belongs to.

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

Definition at line 280 of file OneDim.cpp.

## ◆ resize()

void resize | ( |  | ) |
| virtual

Call after one or more grids has changed size, for example after being refined.

Reimplemented in Sim1D.

Definition at line 200 of file OneDim.cpp.

## ◆ transientMask()

vector< int > & transientMask | ( |  | ) |
| inline

Definition at line 208 of file OneDim.h.

## ◆ timeStep()

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

Take time steps using Backward Euler.

Parameters

  nsteps | number of steps
  dt | initial step size
  x | current solution vector
  r | solution vector after time stepping
  loglevel | controls amount of printed diagnostics

Returns
  size of last timestep taken

Definition at line 382 of file OneDim.cpp.

## ◆ resetBadValues()

void resetBadValues | ( | double * | x | ) |

Definition at line 449 of file OneDim.cpp.

## ◆ writeStats()

void writeStats | ( | int | printTime = `1` | ) |

Write statistics about the number of iterations and Jacobians at each grid level.

Parameters

  printTime | Boolean that indicates whether time should be printed out The default is true. It's turned off for test problems where we don't want to print any times

Definition at line 152 of file OneDim.cpp.

## ◆ serialize()

AnyMap serialize | ( | const double * | soln | ) | const

Deprecated:
  To be removed after Cantera 3.0; unused.

Definition at line 456 of file OneDim.cpp.

## ◆ setMinTimeStep()

void setMinTimeStep | ( | double | tmin | ) |
| inline

Definition at line 239 of file OneDim.h.

## ◆ setMaxTimeStep()

void setMaxTimeStep | ( | double | tmax | ) |
| inline

Definition at line 242 of file OneDim.h.

## ◆ setTimeStepFactor()

void setTimeStepFactor | ( | double | tfactor | ) |
| inline

Definition at line 245 of file OneDim.h.

## ◆ setMaxTimeStepCount()

void setMaxTimeStepCount | ( | int | nmax | ) |
| inline

Set the maximum number of timeteps allowed before successful steady-state solve.

Definition at line 251 of file OneDim.h.

## ◆ maxTimeStepCount()

int maxTimeStepCount | ( |  | ) | const
| inline

Return the maximum number of timeteps allowed before successful steady-state solve.

Definition at line 257 of file OneDim.h.

## ◆ setJacAge()

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

Definition at line 142 of file OneDim.cpp.

## ◆ saveStats()

void saveStats | ( |  | ) |

Save statistics on function and Jacobian evaluation, and reset the counters.

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

- number of grid points
- number of Jacobian evaluations
- CPU time spent evaluating Jacobians
- number of non-Jacobian function evaluations
- CPU time spent evaluating functions
- number of time steps

Definition at line 169 of file OneDim.cpp.

## ◆ clearStats()

void clearStats | ( |  | ) |

Clear saved statistics.

Definition at line 187 of file OneDim.cpp.

## ◆ gridSizeStats()

const vector< size_t > & gridSizeStats | ( |  | ) |
| inline

Return total grid size in each call to solve()

Definition at line 281 of file OneDim.h.

## ◆ jacobianTimeStats()

const vector< double > & jacobianTimeStats | ( |  | ) |
| inline

Return CPU time spent evaluating Jacobians in each call to solve()

Definition at line 287 of file OneDim.h.

## ◆ evalTimeStats()

const vector< double > & evalTimeStats | ( |  | ) |
| inline

Return CPU time spent on non-Jacobian function evaluations in each call to solve()

Definition at line 294 of file OneDim.h.

## ◆ jacobianCountStats()

const vector< int > & jacobianCountStats | ( |  | ) |
| inline

Return number of Jacobian evaluations made in each call to solve()

Definition at line 300 of file OneDim.h.

## ◆ evalCountStats()

const vector< int > & evalCountStats | ( |  | ) |
| inline

Return number of non-Jacobian function evaluations made in each call to solve()

Definition at line 307 of file OneDim.h.

## ◆ timeStepStats()

const vector< int > & timeStepStats | ( |  | ) |
| inline

Return number of time steps taken in each call to solve()

Definition at line 313 of file OneDim.h.

## ◆ setInterrupt()

void setInterrupt | ( | Func1 * | interrupt | ) |
| inline

Set a function that will be called every time eval is called.

Can be used to provide keyboard interrupt support in the high-level language interfaces.

Definition at line 321 of file OneDim.h.

## ◆ setTimeStepCallback()

void setTimeStepCallback | ( | Func1 * | callback | ) |
| inline

Set a function that will be called after each successful timestep.

The function will be called with the size of the timestep as the argument. Intended to be used for observing solver progress for debugging purposes.

Definition at line 329 of file OneDim.h.

## ◆ evalSSJacobian()

void evalSSJacobian | ( | double * | x,
|  | double * | xnew
| ) |  |
| protected

Definition at line 270 of file OneDim.cpp.

## Member Data Documentation

## ◆ m_tmin

double m_tmin = 1e-16
| protected

minimum timestep size

Definition at line 336 of file OneDim.h.

## ◆ m_tmax

double m_tmax = 1e+08
| protected

maximum timestep size

Definition at line 337 of file OneDim.h.

## ◆ m_tfactor

double m_tfactor = 0.5
| protected

factor time step is multiplied by if time stepping fails ( < 1 )

Definition at line 340 of file OneDim.h.

## ◆ m_state

shared_ptr<vector<double> > m_state
| protected

Solution vector.

Definition at line 342 of file OneDim.h.

## ◆ m_jac

unique_ptr<MultiJac> m_jac
| protected

Jacobian evaluator.

Definition at line 344 of file OneDim.h.

## ◆ m_newt

unique_ptr<MultiNewton> m_newt
| protected

Newton iterator.

Definition at line 345 of file OneDim.h.

## ◆ m_rdt

double m_rdt = 0.0
| protected

reciprocal of time step

Definition at line 346 of file OneDim.h.

## ◆ m_jac_ok

bool m_jac_ok = false
| protected

if true, Jacobian is current

Definition at line 347 of file OneDim.h.

## ◆ m_bw

size_t m_bw = 0
| protected

Jacobian bandwidth.

Definition at line 349 of file OneDim.h.

## ◆ m_size

size_t m_size = 0
| protected

solution vector size

Definition at line 350 of file OneDim.h.

## ◆ m_sharedDom

vector<shared_ptr<Domain1D> > m_sharedDom
| protected

Definition at line 352 of file OneDim.h.

## ◆ m_sharedConnect

vector<shared_ptr<Domain1D> > m_sharedConnect
| protected

Definition at line 353 of file OneDim.h.

## ◆ m_sharedBulk

vector<shared_ptr<Domain1D> > m_sharedBulk
| protected

Definition at line 354 of file OneDim.h.

## ◆ m_dom

vector<Domain1D*> m_dom
| protected

Todo:
  remove raw pointers after Cantera 3.0

Definition at line 356 of file OneDim.h.

## ◆ m_connect

vector<Domain1D*> m_connect
| protected

Todo:
  remove raw pointers after Cantera 3.0

Definition at line 357 of file OneDim.h.

## ◆ m_bulk

vector<Domain1D*> m_bulk
| protected

Todo:
  remove raw pointers after Cantera 3.0

Definition at line 358 of file OneDim.h.

## ◆ m_init

bool m_init = false
| protected

Definition at line 360 of file OneDim.h.

## ◆ m_nvars

vector<size_t> m_nvars
| protected

Definition at line 361 of file OneDim.h.

## ◆ m_loc

vector<size_t> m_loc
| protected

Definition at line 362 of file OneDim.h.

## ◆ m_mask

vector<int> m_mask
| protected

Definition at line 363 of file OneDim.h.

## ◆ m_pts

size_t m_pts = 0
| protected

Definition at line 364 of file OneDim.h.

## ◆ m_ss_jac_age

int m_ss_jac_age = 20
| protected

Definition at line 367 of file OneDim.h.

## ◆ m_ts_jac_age

int m_ts_jac_age = 20
| protected

Definition at line 368 of file OneDim.h.

## ◆ m_interrupt

Func1* m_interrupt = nullptr
| protected

Function called at the start of every call to eval.

Definition at line 371 of file OneDim.h.

## ◆ m_time_step_callback

Func1* m_time_step_callback = nullptr
| protected

User-supplied function called after each successful timestep.

Definition at line 374 of file OneDim.h.

## ◆ m_nsteps

int m_nsteps = 0
| protected

Number of time steps taken in the current call to solve()

Definition at line 377 of file OneDim.h.

## ◆ m_nsteps_max

int m_nsteps_max = 500
| protected

Maximum number of timesteps allowed per call to solve()

Definition at line 380 of file OneDim.h.

## ◆ m_nevals

int m_nevals = 0
| private

Definition at line 384 of file OneDim.h.

## ◆ m_evaltime

double m_evaltime = 0
| private

Definition at line 385 of file OneDim.h.

## ◆ m_gridpts

vector<size_t> m_gridpts
| private

Definition at line 386 of file OneDim.h.

## ◆ m_jacEvals

vector<int> m_jacEvals
| private

Definition at line 387 of file OneDim.h.

## ◆ m_jacElapsed

vector<double> m_jacElapsed
| private

Definition at line 388 of file OneDim.h.

## ◆ m_funcEvals

vector<int> m_funcEvals
| private

Definition at line 389 of file OneDim.h.

## ◆ m_funcElapsed

vector<double> m_funcElapsed
| private

Definition at line 390 of file OneDim.h.

## ◆ m_timeSteps

vector<int> m_timeSteps
| private

Number of time steps taken in each call to solve() (for example, for each successive grid refinement)

Definition at line 394 of file OneDim.h.

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

- OneDim.h
- OneDim.cpp