void Dijkstra(int s){
int i,current,m;
for(i=0;i<N;i++){
pathLength[i]=infinity;
predecessor[i]=NIL;
status[i]=TEMP;
}
pathLength[s]=0;
while(1){
current=minTemp();
if(current==NIL)
return;
status[current]=PERM;
for(i=0;i<N;i++){
if(adj[current][i]!=0 && status[i]==TEMP){
m=pathLength[current]+adj[current][i];
if(pathLength[i]>m){
predecessor[i]=current;
pathLength[i]=m;
}
}
}
}
}
void ThermoPhase::setState_SPorSV(doublereal Starget, doublereal p,
doublereal dTtol, bool doSV)
{
doublereal v = 0.0;
doublereal dt;
if (doSV) {
v = p;
if (v < 1.0E-300) {
throw CanteraError("setState_SPorSV (SV)",
"Input specific volume is too small or negative. v = {}", v);
}
setDensity(1.0/v);
} else {
if (p < 1.0E-300) {
throw CanteraError("setState_SPorSV (SP)",
"Input pressure is too small or negative. p = {}", p);
}
setPressure(p);
}
double Tmax = maxTemp() + 0.1;
double Tmin = minTemp() - 0.1;
// Make sure we are within the temperature bounds at the start
// of the iteration
double Tnew = temperature();
double Tinit = Tnew;
if (Tnew > Tmax) {
Tnew = Tmax - 1.0;
} else if (Tnew < Tmin) {
Tnew = Tmin + 1.0;
}
if (Tnew != Tinit) {
setState_conditional_TP(Tnew, p, !doSV);
}
double Snew = entropy_mass();
double Cpnew = (doSV) ? cv_mass() : cp_mass();
double Stop = Snew;
double Ttop = Tnew;
double Sbot = Snew;
double Tbot = Tnew;
bool ignoreBounds = false;
// Unstable phases are those for which Cp < 0.0. These are possible for
// cases where we have passed the spinodal curve.
bool unstablePhase = false;
double Tunstable = -1.0;
bool unstablePhaseNew = false;
// Newton iteration
for (int n = 0; n < 500; n++) {
double Told = Tnew;
double Sold = Snew;
double cpd = Cpnew;
if (cpd < 0.0) {
unstablePhase = true;
Tunstable = Tnew;
}
// limit step size to 100 K
dt = clip((Starget - Sold)*Told/cpd, -100.0, 100.0);
Tnew = Told + dt;
// Limit the step size so that we are convergent
if ((dt > 0.0 && unstablePhase) || (dt <= 0.0 && !unstablePhase)) {
if (Sbot < Starget && Tnew < Tbot) {
dt = 0.75 * (Tbot - Told);
Tnew = Told + dt;
}
} else if (Stop > Starget && Tnew > Ttop) {
dt = 0.75 * (Ttop - Told);
Tnew = Told + dt;
}
// Check Max and Min values
if (Tnew > Tmax && !ignoreBounds) {
setState_conditional_TP(Tmax, p, !doSV);
double Smax = entropy_mass();
if (Smax >= Starget) {
if (Stop < Starget) {
Ttop = Tmax;
Stop = Smax;
}
} else {
Tnew = Tmax + 1.0;
ignoreBounds = true;
}
} else if (Tnew < Tmin && !ignoreBounds) {
setState_conditional_TP(Tmin, p, !doSV);
double Smin = entropy_mass();
if (Smin <= Starget) {
if (Sbot > Starget) {
Tbot = Tmin;
Sbot = Smin;
}
} else {
Tnew = Tmin - 1.0;
ignoreBounds = true;
}
}
// Try to keep phase within its region of stability
// -> Could do a lot better if I calculate the
// spinodal value of H.
for (int its = 0; its < 10; its++) {
Tnew = Told + dt;
setState_conditional_TP(Tnew, p, !doSV);
Cpnew = (doSV) ? cv_mass() : cp_mass();
Snew = entropy_mass();
if (Cpnew < 0.0) {
unstablePhaseNew = true;
Tunstable = Tnew;
} else {
unstablePhaseNew = false;
break;
}
if (unstablePhase == false && unstablePhaseNew == true) {
dt *= 0.25;
}
}
if (Snew == Starget) {
return;
} else if (Snew > Starget && (Stop < Starget || Snew < Stop)) {
Stop = Snew;
Ttop = Tnew;
} else if (Snew < Starget && (Sbot > Starget || Snew > Sbot)) {
Sbot = Snew;
Tbot = Tnew;
}
// Convergence in S
double Serr = Starget - Snew;
double acpd = std::max(fabs(cpd), 1.0E-5);
double denom = std::max(fabs(Starget), acpd * dTtol);
double SConvErr = fabs((Serr * Tnew)/denom);
if (SConvErr < 0.00001 *dTtol || fabs(dt) < dTtol) {
return;
}
}
// We are here when there hasn't been convergence
// Formulate a detailed error message, since questions seem to arise often
// about the lack of convergence.
string ErrString = "No convergence in 500 iterations\n";
if (doSV) {
ErrString += fmt::format(
"\tTarget Entropy = {}\n"
"\tCurrent Specific Volume = {}\n"
"\tStarting Temperature = {}\n"
"\tCurrent Temperature = {}\n"
"\tCurrent Entropy = {}\n"
"\tCurrent Delta T = {}\n",
Starget, v, Tinit, Tnew, Snew, dt);
} else {
ErrString += fmt::format(
"\tTarget Entropy = {}\n"
"\tCurrent Pressure = {}\n"
"\tStarting Temperature = {}\n"
"\tCurrent Temperature = {}\n"
"\tCurrent Entropy = {}\n"
"\tCurrent Delta T = {}\n",
Starget, p, Tinit, Tnew, Snew, dt);
}
if (unstablePhase) {
ErrString += fmt::format("\t - The phase became unstable (Cp < 0) T_unstable_last = {}\n",
Tunstable);
}
if (doSV) {
throw CanteraError("setState_SPorSV (SV)", ErrString);
} else {
throw CanteraError("setState_SPorSV (SP)", ErrString);
}
}
void ThermoPhase::setState_HPorUV(doublereal Htarget, doublereal p,
doublereal dTtol, bool doUV)
{
doublereal dt;
doublereal v = 0.0;
// Assign the specific volume or pressure and make sure it's positive
if (doUV) {
doublereal v = p;
if (v < 1.0E-300) {
throw CanteraError("setState_HPorUV (UV)",
"Input specific volume is too small or negative. v = {}", v);
}
setDensity(1.0/v);
} else {
if (p < 1.0E-300) {
throw CanteraError("setState_HPorUV (HP)",
"Input pressure is too small or negative. p = {}", p);
}
setPressure(p);
}
double Tmax = maxTemp() + 0.1;
double Tmin = minTemp() - 0.1;
// Make sure we are within the temperature bounds at the start
// of the iteration
double Tnew = temperature();
double Tinit = Tnew;
if (Tnew > Tmax) {
Tnew = Tmax - 1.0;
} else if (Tnew < Tmin) {
Tnew = Tmin + 1.0;
}
if (Tnew != Tinit) {
setState_conditional_TP(Tnew, p, !doUV);
}
double Hnew = (doUV) ? intEnergy_mass() : enthalpy_mass();
double Cpnew = (doUV) ? cv_mass() : cp_mass();
double Htop = Hnew;
double Ttop = Tnew;
double Hbot = Hnew;
double Tbot = Tnew;
bool ignoreBounds = false;
// Unstable phases are those for which cp < 0.0. These are possible for
// cases where we have passed the spinodal curve.
bool unstablePhase = false;
// Counter indicating the last temperature point where the
// phase was unstable
double Tunstable = -1.0;
bool unstablePhaseNew = false;
// Newton iteration
for (int n = 0; n < 500; n++) {
double Told = Tnew;
double Hold = Hnew;
double cpd = Cpnew;
if (cpd < 0.0) {
unstablePhase = true;
Tunstable = Tnew;
}
// limit step size to 100 K
dt = clip((Htarget - Hold)/cpd, -100.0, 100.0);
// Calculate the new T
Tnew = Told + dt;
// Limit the step size so that we are convergent This is the step that
// makes it different from a Newton's algorithm
if ((dt > 0.0 && unstablePhase) || (dt <= 0.0 && !unstablePhase)) {
if (Hbot < Htarget && Tnew < (0.75 * Tbot + 0.25 * Told)) {
dt = 0.75 * (Tbot - Told);
Tnew = Told + dt;
}
} else if (Htop > Htarget && Tnew > (0.75 * Ttop + 0.25 * Told)) {
dt = 0.75 * (Ttop - Told);
Tnew = Told + dt;
}
// Check Max and Min values
if (Tnew > Tmax && !ignoreBounds) {
setState_conditional_TP(Tmax, p, !doUV);
double Hmax = (doUV) ? intEnergy_mass() : enthalpy_mass();
if (Hmax >= Htarget) {
if (Htop < Htarget) {
Ttop = Tmax;
Htop = Hmax;
}
} else {
Tnew = Tmax + 1.0;
ignoreBounds = true;
}
}
if (Tnew < Tmin && !ignoreBounds) {
setState_conditional_TP(Tmin, p, !doUV);
double Hmin = (doUV) ? intEnergy_mass() : enthalpy_mass();
if (Hmin <= Htarget) {
if (Hbot > Htarget) {
Tbot = Tmin;
Hbot = Hmin;
}
} else {
Tnew = Tmin - 1.0;
ignoreBounds = true;
}
}
// Try to keep phase within its region of stability
// -> Could do a lot better if I calculate the
// spinodal value of H.
for (int its = 0; its < 10; its++) {
Tnew = Told + dt;
if (Tnew < Told / 3.0) {
Tnew = Told / 3.0;
dt = -2.0 * Told / 3.0;
}
setState_conditional_TP(Tnew, p, !doUV);
if (doUV) {
Hnew = intEnergy_mass();
Cpnew = cv_mass();
} else {
Hnew = enthalpy_mass();
Cpnew = cp_mass();
}
if (Cpnew < 0.0) {
unstablePhaseNew = true;
Tunstable = Tnew;
} else {
unstablePhaseNew = false;
break;
}
if (unstablePhase == false && unstablePhaseNew == true) {
dt *= 0.25;
}
}
if (Hnew == Htarget) {
return;
} else if (Hnew > Htarget && (Htop < Htarget || Hnew < Htop)) {
Htop = Hnew;
Ttop = Tnew;
} else if (Hnew < Htarget && (Hbot > Htarget || Hnew > Hbot)) {
Hbot = Hnew;
Tbot = Tnew;
}
// Convergence in H
double Herr = Htarget - Hnew;
double acpd = std::max(fabs(cpd), 1.0E-5);
double denom = std::max(fabs(Htarget), acpd * dTtol);
double HConvErr = fabs((Herr)/denom);
if (HConvErr < 0.00001 *dTtol || fabs(dt) < dTtol) {
return;
}
}
// We are here when there hasn't been convergence
// Formulate a detailed error message, since questions seem to arise often
// about the lack of convergence.
string ErrString = "No convergence in 500 iterations\n";
if (doUV) {
ErrString += fmt::format(
"\tTarget Internal Energy = {}\n"
"\tCurrent Specific Volume = {}\n"
"\tStarting Temperature = {}\n"
"\tCurrent Temperature = {}\n"
"\tCurrent Internal Energy = {}\n"
"\tCurrent Delta T = {}\n",
Htarget, v, Tinit, Tnew, Hnew, dt);
} else {
ErrString += fmt::format(
"\tTarget Enthalpy = {}\n"
"\tCurrent Pressure = {}\n"
"\tStarting Temperature = {}\n"
"\tCurrent Temperature = {}\n"
"\tCurrent Enthalpy = {}\n"
"\tCurrent Delta T = {}\n",
Htarget, p, Tinit, Tnew, Hnew, dt);
}
if (unstablePhase) {
ErrString += fmt::format(
"\t - The phase became unstable (Cp < 0) T_unstable_last = {}\n",
Tunstable);
}
if (doUV) {
throw CanteraError("setState_HPorUV (UV)", ErrString);
} else {
throw CanteraError("setState_HPorUV (HP)", ErrString);
}
}
