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Added accessor functions for phaseStability and phaseExistence()

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This commit is contained in:
Harry Moffat 2011-02-01 19:08:28 +00:00
parent 60194831c1
commit 8dc95dfbc1
2 changed files with 67 additions and 10 deletions
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38
Cantera/src/kinetics/InterfaceKinetics.cpp
View file

@ -1349,8 +1349,7 @@ namespace Cantera {
* reduce the computational cost of repeated calls.
*/
void InterfaceKinetics::
solvePseudoSteadyStateProblem(int ifuncOverride,
doublereal timeScaleOverride) {
solvePseudoSteadyStateProblem(int ifuncOverride, doublereal timeScaleOverride) {
// create our own solver object
if (m_integrator == 0) {
vector<InterfaceKinetics*> k;
@ -1366,7 +1365,7 @@ namespace Cantera {
}
//================================================================================================
void InterfaceKinetics::setPhaseExistence(const int iphase, const bool exists) {
void InterfaceKinetics::setPhaseExistence(const int iphase, const int exists) {
if (iphase < 0 || iphase >= (int) m_thermo.size()) {
throw CanteraError("InterfaceKinetics:setPhaseExistence", "out of bounds");
}
@ -1384,9 +1383,39 @@ namespace Cantera {
}
}
}
//================================================================================================
// Gets the phase existence int for the ith phase
/*
* @param iphase Phase Id
*
* @return Returns the int specifying whether the kinetics object thinks the phase exists
* or not. If it exists, then species in that phase can be a reactant in reactions.
*/
int InterfaceKinetics::phaseExistence(const int iphase) const {
if (iphase < 0 || iphase >= (int) m_thermo.size()) {
throw CanteraError("InterfaceKinetics:phaseExistence()", "out of bounds");
}
return m_phaseExists[iphase];
}
//================================================================================================
// Gets the phase stability int for the ith phase
/*
* @param iphase Phase Id
*
* @return Returns the int specifying whether the kinetics object thinks the phase is stable
* with nonzero mole numbers.
* If it stable, then the kinetics object will allow for rates of production of
* of species in that phase that are positive.
*/
int InterfaceKinetics::phaseStability(const int iphase) const {
if (iphase < 0 || iphase >= (int) m_thermo.size()) {
throw CanteraError("InterfaceKinetics:phaseStability()", "out of bounds");
}
return m_phaseIsStable[iphase];
}
//================================================================================================
void InterfaceKinetics::setPhaseStability(const int iphase, const bool isStable) {
void InterfaceKinetics::setPhaseStability(const int iphase, const int isStable) {
if (iphase < 0 || iphase >= (int) m_thermo.size()) {
throw CanteraError("InterfaceKinetics:setPhaseStability", "out of bounds");
}
@ -1396,6 +1425,7 @@ namespace Cantera {
m_phaseIsStable[iphase] = false;
}
}
//================================================================================================
void EdgeKinetics::finalize() {
m_rwork.resize(nReactions());

39
Cantera/src/kinetics/InterfaceKinetics.h
View file

@ -492,7 +492,16 @@ namespace Cantera {
*/
void _update_rates_T();
//! Update properties that depend on the electric potential
/*!
* This is called to update all of the properties that depend on potential
*/
void _update_rates_phi();
//! Update properties that depend on the species mole fractions and/or concentration
/*!
* This is called to update all of the properties that depend on concentration
*/
void _update_rates_C();
//! Advance the surface coverages in time
@ -589,8 +598,7 @@ namespace Cantera {
* @param iphase Index of the phase. This is the order within the internal thermo vector object
* @param exists Boolean indicating whether the phase exists or not
*/
void setPhaseExistence(const int iphase, const bool exists);
void setPhaseExistence(const int iphase, const int exists);
//! Set the stability of a phase in the reaction object
/*!
@ -607,8 +615,27 @@ namespace Cantera {
* @param iphase Index of the phase. This is the order within the internal thermo vector object
* @param exists Boolean indicating whether the phase exists or not
*/
void setPhaseStability(const int iphase, const bool isStable);
void setPhaseStability(const int iphase, const int isStable);
//! Gets the phase existence int for the ith phase
/*!
* @param iphase Phase Id
*
* @return Returns the int specifying whether the kinetics object thinks the phase exists
* or not. If it exists, then species in that phase can be a reactant in reactions.
*/
int phaseExistence(const int iphase) const;
//! Gets the phase stability int for the ith phase
/*!
* @param iphase Phase Id
*
* @return Returns the int specifying whether the kinetics object thinks the phase is stable
* with nonzero mole numbers.
* If it stable, then the kinetics object will allow for rates of production of
* of species in that phase that are positive.
*/
int phaseStability(const int iphase) const;
protected:
@ -840,9 +867,9 @@ namespace Cantera {
* length = number of phases in the object
* By default all phases exist.
*/
std::vector<bool> m_phaseExists;
std::vector<int> m_phaseExists;
//! Vector of booleans indicating whether phases are stable or not
//! Vector of int indicating whether phases are stable or not
/*!
* Vector of booleans indicating whether a phase is stable or not
* under the current conditions.
@ -851,7 +878,7 @@ namespace Cantera {
* length = number of phases in the object
* By default all phases are stable
*/
std::vector<bool> m_phaseIsStable;
std::vector<int> m_phaseIsStable;
//! Vector of vector of booleans indicating whether a phase participates in a
//! reaction as a reactant