Cantera  2.2.1
 All Classes Namespaces Files Functions Variables Typedefs Enumerations Enumerator Friends Macros Groups Pages
Public Member Functions | Protected Attributes | List of all members
ReactingSurf1D Class Reference

A reacting surface. More...

#include <Inlet1D.h>

Inheritance diagram for ReactingSurf1D:
[legend]
Collaboration diagram for ReactingSurf1D:
[legend]

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 eval (size_t jg, doublereal *xg, doublereal *rg, integer *diagg, doublereal rdt)
 Evaluate the residual function at point j. More...
 
virtual XML_Nodesave (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, doublereal time=0.0)
 Constructor. More...
 
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 OneDimcontainer () const
 The container holding this domain. More...
 
void setContainer (OneDim *c, size_t index)
 
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)
 
Refinerrefiner ()
 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 Throws an exception if n is greater than nComponents()-1. More...
 
void checkComponentArraySize (size_t nn) const
 Check that an array size is at least nComponents() Throws an exception if nn is less than 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 Throws an exception if n is greater than nPoints()-1. More...
 
void checkPointArraySize (size_t nn) const
 Check that an array size is at least nPoints() Throws an exception if nn is less than nPoints(). More...
 
void setComponentName (size_t n, const std::string &name)
 
void setComponentType (size_t n, int ctype)
 
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...
 
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)
 
void setSteadyMode ()
 
bool steady ()
 True if in steady-state mode. More...
 
bool transient ()
 True if not in steady-state mode. More...
 
void needJacUpdate ()
 
void evalss (doublereal *x, doublereal *r, integer *mask)
 
virtual doublereal residual (doublereal *x, size_t n, size_t j)
 
int timeDerivativeFlag (size_t n)
 
void setAlgebraic (size_t n)
 
virtual void update (doublereal *x)
 
doublereal time () const
 
void incrementTime (doublereal dt)
 
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...
 
Domain1Dleft () const
 Return a pointer to the left neighbor. More...
 
Domain1Dright () 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
 
void setDesc (const std::string &s)
 Specify descriptive text for this domain. More...
 
const std::string & desc ()
 
virtual void getTransientMask (integer *mask)
 
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, doublereal *values, doublereal *soln)
 
vector_fpgrid ()
 
const vector_fpgrid () const
 
doublereal grid (size_t point)
 
virtual doublereal initialValue (size_t n, size_t j)
 Initial value of solution component n at grid point j. More...
 

Protected Attributes

InterfaceKineticsm_kin
 
SurfPhasem_sphase
 
size_t m_surfindex
 
size_t m_nsp
 
bool m_enabled
 
vector_fp m_work
 
vector_fp m_fixed_cov
 
int dum
 
- Protected Attributes inherited from Bdry1D
StFlowm_flow_left
 
StFlowm_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_nv
 
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
 
ThermoPhasem_phase_left
 
ThermoPhasem_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
 
doublereal m_time
 
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
 
OneDimm_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
 
Domain1Dm_left
 
Domain1Dm_right
 
std::string m_id
 Identity tag for the domain. More...
 
std::string m_desc
 
Refinerm_refiner
 
vector_int m_td
 
std::vector< std::string > m_name
 
int m_bw
 

Additional Inherited Members

- Protected Member Functions inherited from Bdry1D
void _init (size_t n)
 

Detailed Description

A reacting surface.

Definition at line 344 of file Inlet1D.h.

Member Function Documentation

string componentName ( size_t  n) const
virtual

Name of the nth component. May be overloaded.

Reimplemented from Domain1D.

Definition at line 715 of file boundaries1D.cpp.

References Phase::speciesName().

void init ( )
virtual

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 726 of file boundaries1D.cpp.

References Kinetics::nTotalSpecies(), Domain1D::setSteadyTolerances(), and Domain1D::setTransientTolerances().

void eval ( size_t  j,
doublereal *  x,
doublereal *  r,
integer *  mask,
doublereal  rdt 
)
virtual

Evaluate the residual function at point j.

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

Parameters
jGrid point at which to update the residual
[in]xState vector
[out]rresidual vector
[out]maskBoolean mask indicating whether each solution component has a time derivative (1) or not (0).
[in]rdtReciprocal of the timestep (rdt=0 implies steady- state.)

Reimplemented from Domain1D.

Definition at line 744 of file boundaries1D.cpp.

References DATA_PTR, Domain1D::firstPoint(), Kinetics::getNetProductionRates(), Kinetics::kineticsSpeciesIndex(), Domain1D::lastPoint(), Domain1D::loc(), Phase::molecularWeights(), Domain1D::nComponents(), Domain1D::nPoints(), Cantera::npos, Domain1D::prevSoln(), SurfPhase::setCoverages(), StFlow::setGas(), Phase::setTemperature(), SurfPhase::siteDensity(), and Phase::size().

XML_Node & save ( XML_Node o,
const doublereal *const  sol 
)
virtual

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.

Parameters
oXML_Node to save the solution to.
solCurrent value of the solution vector. The object will pick out which part of the solution vector pertains to this object.
Returns
XML_Node created to represent this domain

Reimplemented from Domain1D.

Definition at line 824 of file boundaries1D.cpp.

References XML_Node::addAttribute(), Cantera::addFloat(), Domain1D::loc(), Domain1D::save(), and Phase::speciesName().

void restore ( const XML_Node dom,
doublereal *  soln,
int  loglevel 
)
virtual

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.

Parameters
domXML_Node for this domain
solnCurrent value of the solution vector, local to this object.
loglevel0 to suppress all output; 1 to show warnings; 2 for verbose output

Reimplemented from Domain1D.

Definition at line 837 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().

virtual void _getInitialSoln ( doublereal *  x)
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 Bdry1D.

Definition at line 374 of file Inlet1D.h.

References SurfPhase::getCoverages().

virtual void _finalize ( const doublereal *  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 from Domain1D.

Definition at line 380 of file Inlet1D.h.

virtual void showSolution ( const doublereal *  x)
inlinevirtual

Print the solution.

Reimplemented from Domain1D.

Definition at line 384 of file Inlet1D.h.

References Phase::speciesName(), and Cantera::writelog().


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