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Remove goto and manual memory management from MultiPhase::equilibrate

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This commit is contained in:
Ray Speth 2014-05-27 02:53:42 +00:00
parent 4b9e4da822
commit 373e4ae565
1 changed files with 10 additions and 23 deletions
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33
src/equil/MultiPhase.cpp
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@ -586,24 +586,20 @@ doublereal MultiPhase::equilibrate(int XY, doublereal err,
doublereal Tlow = -1.0, Thigh = -1.0;
doublereal Hlow = Undef, Hhigh = Undef, tnew;
doublereal dta=0.0, dtmax, cpb;
MultiPhaseEquil* e = 0;
if (!m_init) {
init();
}
if (XY == TP) {
// create an equilibrium manager
e = new MultiPhaseEquil(this);
MultiPhaseEquil e(this);
try {
e->equilibrate(XY, err, maxsteps, loglevel);
e.equilibrate(XY, err, maxsteps, loglevel);
} catch (CanteraError& err) {
err.save();
delete e;
e = 0;
throw err;
}
goto done;
return err;
}
else if (XY == HP) {
@ -614,12 +610,12 @@ doublereal MultiPhase::equilibrate(int XY, doublereal err,
// if 'strt' is false, the current composition will be used as
// the starting estimate; otherwise it will be estimated
e = new MultiPhaseEquil(this, strt);
MultiPhaseEquil e(this, strt);
// start with a loose error tolerance, but tighten it as we get
// close to the final temperature
try {
e->equilibrate(TP, err, maxsteps, loglevel);
e.equilibrate(TP, err, maxsteps, loglevel);
hnow = enthalpy();
// the equilibrium enthalpy monotonically increases with T;
// if the current value is below the target, the we know the
@ -654,7 +650,7 @@ doublereal MultiPhase::equilibrate(int XY, doublereal err,
herr = fabs((h0 - hnow)/h0);
if (herr < err) {
goto done;
return err;
}
tnew = m_temp + dt;
if (tnew < 0.0) {
@ -682,8 +678,6 @@ doublereal MultiPhase::equilibrate(int XY, doublereal err,
setTemperature(tnew);
}
}
delete e;
e = 0;
}
throw CanteraError("MultiPhase::equilibrate",
"No convergence for T");
@ -692,11 +686,10 @@ doublereal MultiPhase::equilibrate(int XY, doublereal err,
Tlow = 1.0; // lower bound on T
Thigh = 1.0e6; // upper bound on T
for (n = 0; n < maxiter; n++) {
delete e;
e = new MultiPhaseEquil(this, strt);
MultiPhaseEquil e(this, strt);
try {
e->equilibrate(TP, err, maxsteps, loglevel);
e.equilibrate(TP, err, maxsteps, loglevel);
snow = entropy();
if (snow < s0) {
if (m_temp > Tlow) {
@ -715,7 +708,7 @@ doublereal MultiPhase::equilibrate(int XY, doublereal err,
dt *= dtmax/dta;
}
if (herr < err || dta < 1.0e-4) {
goto done;
return err;
}
tnew = m_temp + dt;
setTemperature(tnew);
@ -736,8 +729,6 @@ doublereal MultiPhase::equilibrate(int XY, doublereal err,
setTemperature(tnew);
}
}
delete e;
e = 0;
}
throw CanteraError("MultiPhase::equilibrate",
"No convergence for T");
@ -757,7 +748,7 @@ doublereal MultiPhase::equilibrate(int XY, doublereal err,
verr = fabs((v0 - vnow)/v0);
if (verr < err) {
goto done;
return err;
}
// find dV/dP
setPressure(pnow*1.01);
@ -770,10 +761,6 @@ doublereal MultiPhase::equilibrate(int XY, doublereal err,
throw CanteraError("MultiPhase::equilibrate","unknown option");
}
return -1.0;
done:
delete e;
e = 0;
return err;
}
#ifdef MULTIPHASE_DEVEL