research/cantera
1
0
Fork 0
Code Issues Pull requests Projects Releases Packages Wiki Activity Actions

[Kinetics] Move 'rmcVector' down to ElectrodeKinetics

Browse source
This commit is contained in:
Ray Speth 2015-05-23 22:42:44 -04:00
parent 813cc36f8e
commit b5b1e89814
4 changed files with 33 additions and 36 deletions
Show stats Download patch file Download diff file Expand all files Collapse all files

8
include/cantera/kinetics/ElectrodeKinetics.h
View file

@ -105,6 +105,14 @@ public:
*/
virtual void init();
virtual void finalize();
//! Vector of additional information about each reaction
/*!
* This vector contains information about the phase mole change for each reaction,
* for example.
*/
std::vector<RxnMolChange*> rmcVector;
protected:
//! Index of the metal phase in the list of phases for this kinetics object. This is the electron phase.

9
include/cantera/kinetics/InterfaceKinetics.h
View file

@ -432,15 +432,6 @@ protected:
//! Number of reversible reactions in the mechanism
size_t m_nrev;
public:
//! Vector of additional information about each reaction
/*!
* This vector contains information about the phase mole change for each reaction,
* for example.
*/
std::vector<RxnMolChange*> rmcVector;
protected:
//! Array of concentrations for each species in the kinetics mechanism
/*!
* An array of generalized concentrations \f$ C_k \f$ that are defined

27
src/kinetics/ElectrodeKinetics.cpp
View file

@ -24,7 +24,9 @@ ElectrodeKinetics::ElectrodeKinetics(thermo_t* thermo) :
//============================================================================================================================
ElectrodeKinetics::~ElectrodeKinetics()
{
for (size_t i = 0; i < rmcVector.size(); i++) {
delete rmcVector[i];
}
}
//============================================================================================================================
ElectrodeKinetics::ElectrodeKinetics(const ElectrodeKinetics& right) :
@ -51,7 +53,17 @@ ElectrodeKinetics& ElectrodeKinetics::operator=(const ElectrodeKinetics& right)
metalPhaseIndex_ = right.metalPhaseIndex_;
solnPhaseIndex_ = right.solnPhaseIndex_;
kElectronIndex_ = right.kElectronIndex_;
for (size_t i = 0; i < rmcVector.size(); i++) {
delete rmcVector[i];
}
rmcVector.resize(m_ii, 0);
for (size_t i = 0; i < m_ii; i++) {
if (right.rmcVector[i]) {
rmcVector[i] = new RxnMolChange(*(right.rmcVector[i]));
}
}
return *this;
}
//============================================================================================================================
@ -876,6 +888,17 @@ void ElectrodeKinetics::init()
InterfaceKinetics::init();
identifyMetalPhase();
}
void ElectrodeKinetics::finalize()
{
InterfaceKinetics::finalize();
// Malloc and calculate all of the quantities that go into the extra description of reactions
rmcVector.resize(m_ii, 0);
for (size_t i = 0; i < m_ii; i++) {
rmcVector[i] = new RxnMolChange(this, i);
}
}
//==================================================================================================================
double ElectrodeKinetics::solveCurrentRes(double nu, double nStoich, doublereal ioc, doublereal beta, doublereal temp,

25
src/kinetics/InterfaceKinetics.cpp
View file

@ -45,9 +45,6 @@ InterfaceKinetics::~InterfaceKinetics()
{
delete m_integrator;
for (size_t i = 0; i < rmcVector.size(); i++) {
delete rmcVector[i];
}
for (size_t i = 0; i < m_ctrxn_ROPOrdersList_.size(); i++) {
delete m_ctrxn_ROPOrdersList_[i];
}
@ -117,16 +114,6 @@ InterfaceKinetics& InterfaceKinetics::operator=(const InterfaceKinetics& right)
m_rxnPhaseIsProduct = right.m_rxnPhaseIsProduct;
m_ioFlag = right.m_ioFlag;
for (size_t i = 0; i < rmcVector.size(); i++) {
delete rmcVector[i];
}
rmcVector.resize(m_ii, 0);
for (size_t i = 0; i < m_ii; i++) {
if (right.rmcVector[i]) {
rmcVector[i] = new RxnMolChange(*(right.rmcVector[i]));
}
}
for (size_t i = 0; i < m_ctrxn_ROPOrdersList_.size(); i++) {
delete m_ctrxn_ROPOrdersList_[i];
}
@ -1175,12 +1162,6 @@ void InterfaceKinetics::finalize()
m_rkcn.resize(1, 0.0);
}
// Malloc and calculate all of the quantities that go into the extra description of reactions
rmcVector.resize(m_ii, 0);
for (size_t i = 0; i < m_ii; i++) {
rmcVector[i] = new RxnMolChange(this, i);
}
m_finalized = true;
}
@ -1417,12 +1398,6 @@ void EdgeKinetics::finalize()
m_rkcn.resize(1, 0.0);
}
// Malloc and calculate all of the quantities that go into the extra description of reactions
rmcVector.resize(m_ii, 0);
for (size_t i = 0; i < m_ii; i++) {
rmcVector[i] = new RxnMolChange(this, i);
}
m_finalized = true;
}