Cantera
3.1.0a1
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Base class for one-dimensional domains. More...
#include <Domain1D.h>
Base class for one-dimensional domains.
Definition at line 27 of file Domain1D.h.
Public Member Functions | |
Domain1D (size_t nv=1, size_t points=1, double time=0.0) | |
Constructor. More... | |
Domain1D (const Domain1D &)=delete | |
Domain1D & | operator= (const Domain1D &)=delete |
virtual string | domainType () const |
Domain type flag. More... | |
string | type () const |
String indicating the domain implemented. More... | |
size_t | domainIndex () |
The left-to-right location of this domain. More... | |
virtual bool | isConnector () |
True if the domain is a connector domain. More... | |
void | setSolution (shared_ptr< Solution > sol) |
Set the solution manager. More... | |
virtual void | setKinetics (shared_ptr< Kinetics > kin) |
Set the kinetics manager. More... | |
virtual void | setTransport (shared_ptr< Transport > trans) |
Set transport model to existing instance. More... | |
const OneDim & | container () const |
The container holding this domain. More... | |
void | setContainer (OneDim *c, size_t index) |
Specify the container object for this domain, and the position of this domain in the list. More... | |
void | setBandwidth (int bw=-1) |
Set the Jacobian bandwidth. See the discussion of method bandwidth(). More... | |
size_t | bandwidth () |
Set the Jacobian bandwidth for this domain. More... | |
virtual void | init () |
Initialize. More... | |
virtual void | setInitialState (double *xlocal=0) |
virtual void | setState (size_t point, const double *state, double *x) |
virtual void | resetBadValues (double *xg) |
When called, this function should reset "bad" values in the state vector such as negative species concentrations. More... | |
virtual void | resize (size_t nv, size_t np) |
Resize the domain to have nv components and np grid points. More... | |
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. More... | |
void | checkComponentArraySize (size_t nn) const |
Check that an array size is at least 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. More... | |
void | checkPointArraySize (size_t nn) const |
Check that an array size is at least nPoints(). More... | |
virtual string | componentName (size_t n) const |
Name of the nth component. May be overloaded. More... | |
void | setComponentName (size_t n, const string &name) |
virtual size_t | componentIndex (const string &name) const |
index of component with name name. More... | |
void | setBounds (size_t n, double lower, double upper) |
void | setTransientTolerances (double rtol, double atol, size_t n=npos) |
Set tolerances for time-stepping mode. More... | |
void | setSteadyTolerances (double rtol, double atol, size_t n=npos) |
Set tolerances for steady-state mode. More... | |
double | rtol (size_t n) |
Relative tolerance of the nth component. More... | |
double | atol (size_t n) |
Absolute tolerance of the nth component. More... | |
double | steady_rtol (size_t n) |
Steady relative tolerance of the nth component. More... | |
double | steady_atol (size_t n) |
Steady absolute tolerance of the nth component. More... | |
double | transient_rtol (size_t n) |
Transient relative tolerance of the nth component. More... | |
double | transient_atol (size_t n) |
Transient absolute tolerance of the nth component. More... | |
double | upperBound (size_t n) const |
Upper bound on the nth component. More... | |
double | lowerBound (size_t n) const |
Lower bound on the nth component. More... | |
void | initTimeInteg (double dt, const double *x0) |
Prepare to do time stepping with time step dt. More... | |
void | setSteadyMode () |
Prepare to solve the steady-state problem. More... | |
bool | steady () |
True if in steady-state mode. More... | |
bool | transient () |
True if not in steady-state mode. More... | |
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. More... | |
virtual void | eval (size_t j, double *x, double *r, integer *mask, double rdt=0.0) |
Evaluate the residual function at point j. More... | |
size_t | index (size_t n, size_t j) const |
double | value (const double *x, size_t n, size_t j) const |
virtual void | setJac (MultiJac *jac) |
virtual shared_ptr< SolutionArray > | asArray (const double *soln) const |
Save the state of this domain as a SolutionArray. More... | |
shared_ptr< SolutionArray > | toArray (bool normalize=false) const |
Save the state of this domain to a SolutionArray. More... | |
virtual void | fromArray (SolutionArray &arr, double *soln) |
Restore the solution for this domain from a SolutionArray. More... | |
void | fromArray (const shared_ptr< SolutionArray > &arr) |
Restore the solution for this domain from a SolutionArray. More... | |
shared_ptr< Solution > | solution () const |
Return thermo/kinetics/transport manager used in the domain. More... | |
size_t | size () const |
void | locate () |
Find the index of the first grid point in this domain, and the start of its variables in the global solution vector. More... | |
virtual size_t | loc (size_t j=0) const |
Location of the start of the local solution vector in the global solution vector,. More... | |
size_t | firstPoint () const |
The index of the first (that is, left-most) grid point belonging to this domain. More... | |
size_t | lastPoint () const |
The index of the last (that is, 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 string &s) |
Specify an identifying tag for this domain. More... | |
string | id () const |
virtual void | show (std::ostream &s, const double *x) |
Print the solution. More... | |
virtual void | show (const double *x) |
Print the solution. More... | |
double | z (size_t jlocal) const |
double | zmin () const |
double | zmax () const |
void | setProfile (const string &name, double *values, double *soln) |
vector< double > & | grid () |
const vector< double > & | grid () const |
double | grid (size_t point) const |
virtual void | setupGrid (size_t n, const double *z) |
called to set up initial grid, and after grid refinement More... | |
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. More... | |
virtual double | initialValue (size_t n, size_t j) |
Initial value of solution component n at grid point j. More... | |
virtual void | _finalize (const double *x) |
In some cases, a domain may need to set parameters that depend on the initial solution estimate. More... | |
void | forceFullUpdate (bool update) |
In some cases, for computational efficiency some properties (such as transport coefficients) may not be updated during Jacobian evaluations. More... | |
void | setData (shared_ptr< vector< double >> &data) |
Set shared data pointer. More... | |
Protected Member Functions | |
virtual AnyMap | getMeta () const |
Retrieve meta data. More... | |
virtual void | setMeta (const AnyMap &meta) |
Retrieve meta data. More... | |
Protected Attributes | |
shared_ptr< vector< double > > | m_state |
data pointer shared from OneDim More... | |
double | m_rdt = 0.0 |
size_t | m_nv = 0 |
size_t | m_points |
Number of grid points. More... | |
vector< double > | m_slast |
vector< double > | m_max |
vector< double > | m_min |
vector< double > | m_rtol_ss |
vector< double > | m_rtol_ts |
vector< double > | m_atol_ss |
vector< double > | m_atol_ts |
vector< double > | m_z |
OneDim * | m_container = nullptr |
size_t | m_index |
size_t | m_iloc = 0 |
Starting location within the solution vector for unknowns that correspond to this domain. More... | |
size_t | m_jstart = 0 |
Domain1D * | m_left = nullptr |
Domain1D * | m_right = nullptr |
string | m_id |
Identity tag for the domain. More... | |
unique_ptr< Refiner > | m_refiner |
vector< string > | m_name |
int | m_bw = -1 |
bool | m_force_full_update = false |
shared_ptr< Solution > | m_solution |
Composite thermo/kinetics/transport handler. More... | |
Domain1D | ( | size_t | nv = 1 , |
size_t | points = 1 , |
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double | time = 0.0 |
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Constructor.
nv | Number of variables at each grid point. |
points | Number of grid points. |
time | (unused) |
Definition at line 17 of file Domain1D.cpp.
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Domain type flag.
string
. Reimplemented in StFlow, IonFlow, ReactingSurf1D, Surf1D, OutletRes1D, Outlet1D, Symm1D, Empty1D, Inlet1D, and Boundary1D.
Definition at line 44 of file Domain1D.h.
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String indicating the domain implemented.
Definition at line 49 of file Domain1D.h.
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The left-to-right location of this domain.
Definition at line 52 of file Domain1D.h.
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True if the domain is a connector domain.
Reimplemented in Boundary1D.
Definition at line 57 of file Domain1D.h.
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Set the kinetics manager.
Reimplemented in StFlow, and ReactingSurf1D.
Definition at line 69 of file Domain1D.h.
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Set transport model to existing instance.
Reimplemented in StFlow.
Definition at line 75 of file Domain1D.h.
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The container holding this domain.
Definition at line 80 of file Domain1D.h.
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Specify the container object for this domain, and the position of this domain in the list.
Definition at line 86 of file Domain1D.h.
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Set the Jacobian bandwidth. See the discussion of method bandwidth().
Definition at line 92 of file Domain1D.h.
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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 111 of file Domain1D.h.
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Initialize.
This method is called by OneDim::init() for each domain once at the beginning of a simulation. Base class method does nothing, but may be overloaded.
Reimplemented in ReactingSurf1D, Surf1D, OutletRes1D, Outlet1D, Symm1D, Empty1D, Inlet1D, and Boundary1D.
Definition at line 120 of file Domain1D.h.
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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 StFlow, and ReactingSurf1D.
Definition at line 130 of file Domain1D.h.
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Resize the domain to have nv components and np grid points.
This method is virtual so that subclasses can perform other actions required to resize the domain.
Reimplemented in StFlow, and IonFlow.
Definition at line 26 of file Domain1D.cpp.
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Return a reference to the grid refiner.
Definition at line 140 of file Domain1D.h.
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Number of components at each grid point.
Definition at line 145 of file Domain1D.h.
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Check that the specified component index is in range.
Throws an exception if n is greater than nComponents()-1
Definition at line 151 of file Domain1D.h.
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Check that an array size is at least nComponents().
Throws an exception if nn is less than nComponents(). Used before calls which take an array pointer.
Definition at line 160 of file Domain1D.h.
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Number of grid points in this domain.
Definition at line 167 of file Domain1D.h.
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Check that the specified point index is in range.
Throws an exception if n is greater than nPoints()-1
Definition at line 173 of file Domain1D.h.
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Check that an array size is at least nPoints().
Throws an exception if nn is less than nPoints(). Used before calls which take an array pointer.
Definition at line 182 of file Domain1D.h.
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Name of the nth component. May be overloaded.
Reimplemented in StFlow, and ReactingSurf1D.
Definition at line 49 of file Domain1D.cpp.
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index of component with name name.
Reimplemented in StFlow.
Definition at line 58 of file Domain1D.cpp.
void setTransientTolerances | ( | double | rtol, |
double | atol, | ||
size_t | n = npos |
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Set tolerances for time-stepping mode.
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 69 of file Domain1D.cpp.
void setSteadyTolerances | ( | double | rtol, |
double | atol, | ||
size_t | n = npos |
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Set tolerances for steady-state mode.
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 82 of file Domain1D.cpp.
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Relative tolerance of the nth component.
Definition at line 224 of file Domain1D.h.
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Absolute tolerance of the nth component.
Definition at line 229 of file Domain1D.h.
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Steady relative tolerance of the nth component.
Definition at line 234 of file Domain1D.h.
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Steady absolute tolerance of the nth component.
Definition at line 239 of file Domain1D.h.
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Transient relative tolerance of the nth component.
Definition at line 244 of file Domain1D.h.
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Transient absolute tolerance of the nth component.
Definition at line 249 of file Domain1D.h.
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Upper bound on the nth component.
Definition at line 254 of file Domain1D.h.
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Lower bound on the nth component.
Definition at line 259 of file Domain1D.h.
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Prepare to do time stepping with time step dt.
Copy the internally-stored solution at the last time step to array x0.
Definition at line 267 of file Domain1D.h.
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Prepare to solve the steady-state problem.
Set the internally-stored reciprocal of the time step to 0.0
Definition at line 276 of file Domain1D.h.
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True if in steady-state mode.
Definition at line 281 of file Domain1D.h.
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True if not in steady-state mode.
Definition at line 286 of file Domain1D.h.
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 95 of file Domain1D.cpp.
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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.
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 StFlow, ReactingSurf1D, Surf1D, OutletRes1D, Outlet1D, Symm1D, Empty1D, and Inlet1D.
Definition at line 310 of file Domain1D.h.
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Save the state of this domain as a SolutionArray.
soln | local solution vector for this domain |
Reimplemented in StFlow, ReactingSurf1D, Surf1D, OutletRes1D, Outlet1D, Symm1D, Empty1D, and Inlet1D.
Definition at line 331 of file Domain1D.h.
shared_ptr< SolutionArray > toArray | ( | bool | normalize = false | ) | const |
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.
normalize | If true, normalize concentrations (default=false) |
Definition at line 131 of file Domain1D.cpp.
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Restore the solution for this domain from a SolutionArray.
[in] | arr | SolutionArray defining the state of this domain |
[out] | soln | Value of the solution vector, local to this domain |
Reimplemented in StFlow, ReactingSurf1D, Surf1D, OutletRes1D, Inlet1D, and Boundary1D.
Definition at line 352 of file Domain1D.h.
void fromArray | ( | const shared_ptr< SolutionArray > & | arr | ) |
Restore the solution for this domain from a SolutionArray.
This method serves as an external interface for high-level API's.
arr | SolutionArray defining the state of this domain |
Definition at line 143 of file Domain1D.cpp.
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Return thermo/kinetics/transport manager used in the domain.
Definition at line 366 of file Domain1D.h.
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 187 of file Domain1D.cpp.
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Location of the start of the local solution vector in the global solution vector,.
Definition at line 384 of file Domain1D.h.
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The index of the first (that is, left-most) grid point belonging to this domain.
Definition at line 392 of file Domain1D.h.
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The index of the last (that is, right-most) grid point belonging to this domain.
Definition at line 400 of file Domain1D.h.
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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 408 of file Domain1D.h.
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Set the right neighbor to domain 'right.'.
Definition at line 417 of file Domain1D.h.
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Append domain 'right' to this one, and update all links.
Definition at line 425 of file Domain1D.h.
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Return a pointer to the left neighbor.
Definition at line 431 of file Domain1D.h.
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Return a pointer to the right neighbor.
Definition at line 436 of file Domain1D.h.
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Value of component n at point j in the previous solution.
Definition at line 441 of file Domain1D.h.
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Specify an identifying tag for this domain.
Definition at line 446 of file Domain1D.h.
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Print the solution.
Reimplemented in StFlow, ReactingSurf1D, Surf1D, OutletRes1D, Empty1D, and Inlet1D.
Definition at line 217 of file Domain1D.cpp.
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called to set up initial grid, and after grid refinement
Reimplemented in StFlow, and Boundary1D.
Definition at line 207 of file Domain1D.cpp.
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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 StFlow, and ReactingSurf1D.
Definition at line 266 of file Domain1D.cpp.
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Initial value of solution component n at grid point j.
Definition at line 275 of file Domain1D.cpp.
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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 StFlow, IonFlow, and ReactingSurf1D.
Definition at line 509 of file Domain1D.h.
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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 517 of file Domain1D.h.
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Set shared data pointer.
Definition at line 522 of file Domain1D.h.
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data pointer shared from OneDim
Definition at line 533 of file Domain1D.h.
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Number of grid points.
Definition at line 537 of file Domain1D.h.
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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 552 of file Domain1D.h.
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Identity tag for the domain.
Definition at line 560 of file Domain1D.h.
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Composite thermo/kinetics/transport handler.
Definition at line 567 of file Domain1D.h.