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[Equil] Make vcs_MultiPhaseEquil::m_vsolvePtr a normal member variable

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There is no reason for this to be a pointer.
This commit is contained in:
Ray Speth 2014-04-14 18:36:58 +00:00
parent 197a70aab2
commit 818a22be05
2 changed files with 16 additions and 36 deletions
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8
include/cantera/equil/vcs_MultiPhaseEquil.h
View file

@ -8,6 +8,7 @@
#include "cantera/base/ct_defs.h"
#include "MultiPhase.h"
#include "vcs_defs.h"
#include "vcs_solve.h"
namespace Cantera
{
@ -163,7 +164,6 @@ int vcs_determine_PhaseStability(MultiPhase& s, int iphase,
namespace VCSnonideal
{
class VCS_PROB;
class VCS_SOLVE;
//! Translate a MultiPhase object into a VCS_PROB problem definition object
/*!
@ -517,12 +517,12 @@ protected:
*/
Cantera::vector_int m_species;
//! Pointer to the object that does all of the equilibration work.
//! The object that does all of the equilibration work.
/*!
* VCS_SOLVE will have different ordering for species and element constraints
* than this object or the VCS_PROB object. This object owns the pointer.
* than this object or the VCS_PROB object.
*/
VCSnonideal::VCS_SOLVE* m_vsolvePtr;
VCSnonideal::VCS_SOLVE m_vsolve;
};
//! Global hook for turning on and off time printing.

44
src/equil/vcs_MultiPhaseEquil.cpp
View file

@ -14,8 +14,6 @@
#include "cantera/equil/vcs_VolPhase.h"
#include "cantera/equil/vcs_species_thermo.h"
#include "cantera/equil/vcs_solve.h"
#include "cantera/thermo/mix_defs.h"
#include "cantera/base/clockWC.h"
#include "cantera/base/stringUtils.h"
@ -35,16 +33,14 @@ namespace VCSnonideal
vcs_MultiPhaseEquil::vcs_MultiPhaseEquil() :
m_vprob(0),
m_mix(0),
m_printLvl(0),
m_vsolvePtr(0)
m_printLvl(0)
{
}
vcs_MultiPhaseEquil::vcs_MultiPhaseEquil(Cantera::MultiPhase* mix, int printLvl) :
m_vprob(0),
m_mix(0),
m_printLvl(printLvl),
m_vsolvePtr(0)
m_printLvl(printLvl)
{
/*
* Create a VCS_PROB object that describes the equilibrium problem.
@ -69,8 +65,6 @@ vcs_MultiPhaseEquil::~vcs_MultiPhaseEquil()
{
delete m_vprob;
m_vprob = 0;
delete m_vsolvePtr;
m_vsolvePtr = 0;
}
int vcs_MultiPhaseEquil::equilibrate_TV(int XY, doublereal xtarget,
@ -571,10 +565,7 @@ int vcs_MultiPhaseEquil::equilibrate_TP(int estimateEquil,
} else {
ip1 = 0;
}
if (!m_vsolvePtr) {
m_vsolvePtr = new VCS_SOLVE();
}
int iSuccess = m_vsolvePtr->vcs(m_vprob, 0, ipr, ip1, maxit);
int iSuccess = m_vsolve.vcs(m_vprob, 0, ipr, ip1, maxit);
/*
* Transfer the information back to the MultiPhase object.
@ -651,7 +642,7 @@ int vcs_MultiPhaseEquil::equilibrate_TP(int estimateEquil,
plogf("------------------------------------------"
"-------------------\n");
if (printLvl > 2) {
if (m_vsolvePtr->m_timing_print_lvl > 0) {
if (m_vsolve.m_timing_print_lvl > 0) {
plogf("Total time = %12.6e seconds\n", te);
}
}
@ -1377,15 +1368,15 @@ int vcs_Cantera_update_vprob(Cantera::MultiPhase* mphase,
void vcs_MultiPhaseEquil::getStoichVector(size_t rxn, Cantera::vector_fp& nu)
{
size_t nsp = m_vsolvePtr->m_numSpeciesTot;
size_t nsp = m_vsolve.m_numSpeciesTot;
nu.resize(nsp, 0.0);
for (size_t i = 0; i < nsp; i++) {
nu[i] = 0.0;
}
size_t nc = numComponents();
// scMatrix [nrxn][ncomp]
const DoubleStarStar& scMatrix = m_vsolvePtr->m_stoichCoeffRxnMatrix;
const std::vector<size_t>& indSpecies = m_vsolvePtr->m_speciesMapIndex;
const DoubleStarStar& scMatrix = m_vsolve.m_stoichCoeffRxnMatrix;
const std::vector<size_t>& indSpecies = m_vsolve.m_speciesMapIndex;
if (rxn > nsp - nc) {
return;
}
@ -1400,27 +1391,19 @@ void vcs_MultiPhaseEquil::getStoichVector(size_t rxn, Cantera::vector_fp& nu)
size_t vcs_MultiPhaseEquil::numComponents() const
{
size_t nc = npos;
if (m_vsolvePtr) {
nc = m_vsolvePtr->m_numComponents;
}
return nc;
return m_vsolve.m_numComponents;
}
size_t vcs_MultiPhaseEquil::numElemConstraints() const
{
size_t nec = npos;
if (m_vsolvePtr) {
nec = m_vsolvePtr->m_numElemConstraints;
}
return nec;
return m_vsolve.m_numElemConstraints;
}
size_t vcs_MultiPhaseEquil::component(size_t m) const
{
size_t nc = numComponents();
if (m < nc) {
return m_vsolvePtr->m_speciesMapIndex[m];
return m_vsolve.m_speciesMapIndex[m];
} else {
return npos;
}
@ -1473,10 +1456,7 @@ int vcs_MultiPhaseEquil::determine_PhaseStability(int iph, double& funcStab, int
/*
* Call the thermo Program
*/
if (!m_vsolvePtr) {
m_vsolvePtr = new VCS_SOLVE();
}
int iStable = m_vsolvePtr->vcs_PS(m_vprob, iph, printLvl, funcStab);
int iStable = m_vsolve.vcs_PS(m_vprob, iph, printLvl, funcStab);
/*
* Transfer the information back to the MultiPhase object.
@ -1547,7 +1527,7 @@ int vcs_MultiPhaseEquil::determine_PhaseStability(int iph, double& funcStab, int
plogf("------------------------------------------"
"-------------------\n");
if (printLvl > 2) {
if (m_vsolvePtr->m_timing_print_lvl > 0) {
if (m_vsolve.m_timing_print_lvl > 0) {
plogf("Total time = %12.6e seconds\n", te);
}
}