Cantera
2.4.0
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A reacting surface. More...
#include <Inlet1D.h>
Public Member Functions | |
void | setKineticsMgr (InterfaceKinetics *kin) |
void | enableCoverageEquations (bool docov) |
virtual std::string | componentName (size_t n) const |
Name of the nth component. May be overloaded. More... | |
virtual void | init () |
virtual void | resetBadValues (double *xg) |
virtual void | eval (size_t jg, doublereal *xg, doublereal *rg, integer *diagg, doublereal rdt) |
Evaluate the residual function at point j. More... | |
virtual XML_Node & | save (XML_Node &o, const doublereal *const soln) |
Save the current solution for this domain into an XML_Node. More... | |
virtual void | restore (const XML_Node &dom, doublereal *soln, int loglevel) |
Restore the solution for this domain from an XML_Node. More... | |
virtual void | _getInitialSoln (doublereal *x) |
Writes some or all initial solution values into the global solution array, beginning at the location pointed to by x. More... | |
virtual void | _finalize (const doublereal *x) |
In some cases, a domain may need to set parameters that depend on the initial solution estimate. More... | |
virtual void | showSolution (const doublereal *x) |
Print the solution. More... | |
Public Member Functions inherited from Bdry1D | |
virtual void | setTemperature (doublereal t) |
Set the temperature. More... | |
virtual doublereal | temperature () |
Temperature [K]. More... | |
virtual size_t | nSpecies () |
virtual void | setMoleFractions (const std::string &xin) |
Set the mole fractions by specifying a std::string. More... | |
virtual void | setMoleFractions (const doublereal *xin) |
Set the mole fractions by specifying an array. More... | |
virtual doublereal | massFraction (size_t k) |
Mass fraction of species k. More... | |
virtual void | setMdot (doublereal mdot) |
Set the total mass flow rate. More... | |
virtual doublereal | mdot () |
The total mass flow rate [kg/m2/s]. More... | |
virtual void | setupGrid (size_t n, const doublereal *z) |
called to set up initial grid, and after grid refinement More... | |
Public Member Functions inherited from Domain1D | |
Domain1D (size_t nv=1, size_t points=1, double time=0.0) | |
Constructor. More... | |
Domain1D (const Domain1D &)=delete | |
Domain1D & | operator= (const Domain1D &)=delete |
int | domainType () |
Domain type flag. More... | |
size_t | domainIndex () |
The left-to-right location of this domain. More... | |
bool | isConnector () |
True if the domain is a connector domain. More... | |
const OneDim & | container () const |
The container holding this domain. More... | |
void | setContainer (OneDim *c, size_t index) |
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 | setInitialState (doublereal *xlocal=0) |
virtual void | setState (size_t point, const doublereal *state, doublereal *x) |
virtual void | resize (size_t nv, size_t np) |
Refiner & | refiner () |
Return a reference to the grid refiner. More... | |
size_t | nComponents () const |
Number of components at each grid point. More... | |
void | checkComponentIndex (size_t n) const |
Check that the specified component index is in range. 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... | |
void | setComponentName (size_t n, const std::string &name) |
size_t | componentIndex (const std::string &name) const |
index of component with name name. More... | |
void | setBounds (size_t n, doublereal lower, doublereal upper) |
void | setTransientTolerances (doublereal rtol, doublereal atol, size_t n=npos) |
Set tolerances for time-stepping mode. More... | |
void | setSteadyTolerances (doublereal rtol, doublereal atol, size_t n=npos) |
Set tolerances for steady-state mode. More... | |
doublereal | rtol (size_t n) |
Relative tolerance of the nth component. More... | |
doublereal | 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... | |
doublereal | upperBound (size_t n) const |
Upper bound on the nth component. More... | |
doublereal | lowerBound (size_t n) const |
Lower bound on the nth component. More... | |
void | initTimeInteg (doublereal dt, const doublereal *x0) |
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 () |
size_t | index (size_t n, size_t j) const |
doublereal | value (const doublereal *x, size_t n, size_t j) const |
virtual void | setJac (MultiJac *jac) |
size_t | size () const |
void | locate () |
Find the index of the first grid point in this domain, and the start of its variables in the global solution vector. More... | |
virtual size_t | loc (size_t j=0) const |
Location of the start of the local solution vector in the global solution vector,. More... | |
size_t | firstPoint () const |
The index of the first (i.e., left-most) grid point belonging to this domain. More... | |
size_t | lastPoint () const |
The index of the last (i.e., right-most) grid point belonging to this domain. More... | |
void | linkLeft (Domain1D *left) |
Set the left neighbor to domain 'left. More... | |
void | linkRight (Domain1D *right) |
Set the right neighbor to domain 'right.'. More... | |
void | append (Domain1D *right) |
Append domain 'right' to this one, and update all links. More... | |
Domain1D * | left () const |
Return a pointer to the left neighbor. More... | |
Domain1D * | right () const |
Return a pointer to the right neighbor. More... | |
double | prevSoln (size_t n, size_t j) const |
Value of component n at point j in the previous solution. More... | |
void | setID (const std::string &s) |
Specify an identifying tag for this domain. More... | |
std::string | id () const |
virtual void | showSolution_s (std::ostream &s, const doublereal *x) |
doublereal | z (size_t jlocal) const |
doublereal | zmin () const |
doublereal | zmax () const |
void | setProfile (const std::string &name, double *values, double *soln) |
vector_fp & | grid () |
const vector_fp & | grid () const |
doublereal | grid (size_t point) const |
virtual doublereal | initialValue (size_t n, size_t j) |
Initial value of solution component n at grid point j. More... | |
void | forceFullUpdate (bool update) |
In some cases, for computational efficiency some properties (e.g. More... | |
Protected Attributes | |
InterfaceKinetics * | m_kin |
SurfPhase * | m_sphase |
size_t | m_surfindex |
size_t | m_nsp |
bool | m_enabled |
vector_fp | m_work |
vector_fp | m_fixed_cov |
Protected Attributes inherited from Bdry1D | |
StFlow * | m_flow_left |
StFlow * | m_flow_right |
size_t | m_ilr |
size_t | m_left_nv |
size_t | m_right_nv |
size_t | m_left_loc |
size_t | m_right_loc |
size_t | m_left_points |
size_t | m_left_nsp |
size_t | m_right_nsp |
size_t | m_sp_left |
size_t | m_sp_right |
size_t | m_start_left |
size_t | m_start_right |
ThermoPhase * | m_phase_left |
ThermoPhase * | m_phase_right |
doublereal | m_temp |
doublereal | m_mdot |
Protected Attributes inherited from Domain1D | |
doublereal | m_rdt |
size_t | m_nv |
size_t | m_points |
vector_fp | m_slast |
vector_fp | m_max |
vector_fp | m_min |
vector_fp | m_rtol_ss |
vector_fp | m_rtol_ts |
vector_fp | m_atol_ss |
vector_fp | m_atol_ts |
vector_fp | m_z |
OneDim * | m_container |
size_t | m_index |
int | m_type |
size_t | m_iloc |
Starting location within the solution vector for unknowns that correspond to this domain. More... | |
size_t | m_jstart |
Domain1D * | m_left |
Domain1D * | m_right |
std::string | m_id |
Identity tag for the domain. More... | |
std::string | m_desc |
std::unique_ptr< Refiner > | m_refiner |
std::vector< std::string > | m_name |
int | m_bw |
bool | m_force_full_update |
Additional Inherited Members | |
Protected Member Functions inherited from Bdry1D | |
void | _init (size_t n) |
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virtual |
Name of the nth component. May be overloaded.
Reimplemented from Domain1D.
Definition at line 612 of file boundaries1D.cpp.
References Phase::speciesName().
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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 from Bdry1D.
Definition at line 621 of file boundaries1D.cpp.
References Kinetics::nTotalSpecies().
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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 from Domain1D.
Definition at line 634 of file boundaries1D.cpp.
References SurfPhase::getCoverages(), Domain1D::loc(), and SurfPhase::setCoverages().
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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 from Domain1D.
Definition at line 640 of file boundaries1D.cpp.
References Domain1D::firstPoint(), Kinetics::getNetProductionRates(), Kinetics::kineticsSpeciesIndex(), Domain1D::lastPoint(), Domain1D::loc(), Phase::molecularWeights(), Domain1D::nComponents(), Domain1D::nPoints(), Cantera::npos, Domain1D::prevSoln(), StFlow::rightExcessSpecies(), SurfPhase::setCoveragesNoNorm(), StFlow::setGas(), Phase::setTemperature(), SurfPhase::siteDensity(), and SurfPhase::size().
Save the current solution for this domain into an XML_Node.
Base class version of the general domain1D save function. Derived classes should call the base class method in addition to saving their own data.
o | XML_Node to save the solution to. |
sol | Current value of the solution vector. The object will pick out which part of the solution vector pertains to this object. |
Reimplemented from Domain1D.
Definition at line 718 of file boundaries1D.cpp.
References XML_Node::addAttribute(), Cantera::addFloat(), Domain1D::loc(), Domain1D::save(), and Phase::speciesName().
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Restore the solution for this domain from an XML_Node.
Base class version of the general Domain1D restore function. Derived classes should call the base class method in addition to restoring their own data.
dom | XML_Node for this domain |
soln | Current value of the solution vector, local to this object. |
loglevel | 0 to suppress all output; 1 to show warnings; 2 for verbose output |
Reimplemented from Domain1D.
Definition at line 730 of file boundaries1D.cpp.
References XML_Node::attrib(), XML_Node::child(), XML_Node::fp_value(), Cantera::getFloat(), XML_Node::name(), XML_Node::nChildren(), Cantera::npos, Domain1D::resize(), Domain1D::restore(), SurfPhase::setCoverages(), and Phase::speciesIndex().
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inlinevirtual |
Writes some or all initial solution values into the global solution array, beginning at the location pointed to by x.
This method is called by the Sim1D constructor, and allows default values or ones that have been set locally prior to installing this domain into the container to be written to the global solution vector.
Reimplemented from Domain1D.
Definition at line 298 of file Inlet1D.h.
References SurfPhase::getCoverages().
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inlinevirtual |
In some cases, a domain may need to set parameters that depend on the initial solution estimate.
In such cases, the parameters may be set in method _finalize. This method is called just before the Newton solver is called, and the x array is guaranteed to be the local solution vector for this domain that will be used as the initial guess. If no such parameters need to be set, then method _finalize does not need to be overloaded.
Reimplemented from Domain1D.
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Print the solution.
Reimplemented from Domain1D.
Definition at line 751 of file boundaries1D.cpp.
References Phase::speciesName(), and Cantera::writelog().