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Removed unnecessary manual memory management from equilibrate driver

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This commit is contained in:
Ray Speth 2012-05-24 16:29:52 +00:00
parent 047f3611e1
commit bb358e812f
1 changed files with 14 additions and 22 deletions
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36
src/equil/equilibrate.cpp
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@ -12,7 +12,6 @@
namespace Cantera namespace Cantera
{ {
/* /*
* Set a multiphase mixture to a state of chemical equilibrium. * Set a multiphase mixture to a state of chemical equilibrium.
* This is the top-level driver for multiphase equilibrium. It * This is the top-level driver for multiphase equilibrium. It
@ -26,7 +25,6 @@ doublereal equilibrate(MultiPhase& s, const char* XY,
doublereal tol, int maxsteps, int maxiter, doublereal tol, int maxsteps, int maxiter,
int loglevel) int loglevel)
{ {
if (loglevel > 0) { if (loglevel > 0) {
beginLogGroup("equilibrate",loglevel); beginLogGroup("equilibrate",loglevel);
addLogEntry("multiphase equilibrate function"); addLogEntry("multiphase equilibrate function");
@ -130,25 +128,23 @@ int equilibrate(thermo_t& s, const char* XY, int solver,
#ifdef WITH_VCSNONIDEAL #ifdef WITH_VCSNONIDEAL
int printLvlSub = 0; int printLvlSub = 0;
int estimateEquil = 0; int estimateEquil = 0;
m = new MultiPhase;
try { try {
m->addPhase(&s, 1.0); MultiPhase m;
m->init(); m.addPhase(&s, 1.0);
m.init();
nAttempts++; nAttempts++;
vcs_equilibrate(*m, XY, estimateEquil, printLvlSub, solver, vcs_equilibrate(m, XY, estimateEquil, printLvlSub, solver,
rtol, maxsteps, maxiter, loglevel-1); rtol, maxsteps, maxiter, loglevel-1);
redo = false; redo = false;
if (loglevel > 0) { if (loglevel > 0) {
addLogEntry("VCSnonideal solver succeeded."); addLogEntry("VCSnonideal solver succeeded.");
} }
delete m;
retn = nAttempts; retn = nAttempts;
} catch (CanteraError& err) { } catch (CanteraError& err) {
err.save(); err.save();
if (loglevel > 0) { if (loglevel > 0) {
addLogEntry("VCSnonideal solver failed."); addLogEntry("VCSnonideal solver failed.");
} }
delete m;
if (nAttempts < 2) { if (nAttempts < 2) {
if (loglevel > 0) { if (loglevel > 0) {
addLogEntry("Trying single phase ChemEquil solver."); addLogEntry("Trying single phase ChemEquil solver.");
@ -166,24 +162,22 @@ int equilibrate(thermo_t& s, const char* XY, int solver,
"VCSNonIdeal solver called, but not compiled"); "VCSNonIdeal solver called, but not compiled");
#endif #endif
} else if (solver == 1) { } else if (solver == 1) {
m = new MultiPhase;
try { try {
m->addPhase(&s, 1.0); MultiPhase m;
m->init(); m.addPhase(&s, 1.0);
m.init();
nAttempts++; nAttempts++;
(void) equilibrate(*m, XY, rtol, maxsteps, maxiter, loglevel-1); equilibrate(m, XY, rtol, maxsteps, maxiter, loglevel-1);
redo = false; redo = false;
if (loglevel > 0) { if (loglevel > 0) {
addLogEntry("MultiPhaseEquil solver succeeded."); addLogEntry("MultiPhaseEquil solver succeeded.");
} }
delete m;
retn = nAttempts; retn = nAttempts;
} catch (CanteraError& err) { } catch (CanteraError& err) {
err.save(); err.save();
if (loglevel > 0) { if (loglevel > 0) {
addLogEntry("MultiPhaseEquil solver failed."); addLogEntry("MultiPhaseEquil solver failed.");
} }
delete m;
if (nAttempts < 2) { if (nAttempts < 2) {
if (loglevel > 0) { if (loglevel > 0) {
addLogEntry("Trying single phase ChemEquil solver."); addLogEntry("Trying single phase ChemEquil solver.");
@ -200,14 +194,14 @@ int equilibrate(thermo_t& s, const char* XY, int solver,
/* /*
* Call the element potential solver * Call the element potential solver
*/ */
e = new ChemEquil;
try { try {
e->options.maxIterations = maxsteps; ChemEquil e;
e->options.relTolerance = rtol; e.options.maxIterations = maxsteps;
e.options.relTolerance = rtol;
nAttempts++; nAttempts++;
bool useThermoPhaseElementPotentials = true; bool useThermoPhaseElementPotentials = true;
retnSub = e->equilibrate(s,XY, retnSub = e.equilibrate(s, XY, useThermoPhaseElementPotentials,
useThermoPhaseElementPotentials, loglevel-1); loglevel-1);
if (retnSub < 0) { if (retnSub < 0) {
if (loglevel > 0) { if (loglevel > 0) {
addLogEntry("ChemEquil solver failed."); addLogEntry("ChemEquil solver failed.");
@ -223,9 +217,8 @@ int equilibrate(thermo_t& s, const char* XY, int solver,
} }
} }
retn = nAttempts; retn = nAttempts;
s.setElementPotentials(e->elementPotentials()); s.setElementPotentials(e.elementPotentials());
redo = false; redo = false;
delete e;
if (loglevel > 0) { if (loglevel > 0) {
addLogEntry("ChemEquil solver succeeded."); addLogEntry("ChemEquil solver succeeded.");
} }
@ -233,7 +226,6 @@ int equilibrate(thermo_t& s, const char* XY, int solver,
catch (CanteraError& err) { catch (CanteraError& err) {
err.save(); err.save();
delete e;
if (loglevel > 0) { if (loglevel > 0) {
addLogEntry("ChemEquil solver failed."); addLogEntry("ChemEquil solver failed.");
} }