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This commit is contained in:
Dave Goodwin 2004-03-18 01:29:41 +00:00
parent aa01fa76b4
commit df05593aec
1 changed files with 13 additions and 2 deletions
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15
Cantera/src/ChemEquil.cpp
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@ -369,6 +369,15 @@ namespace Cantera {
throw CanteraError("equilibrate","illegal property pair."); // IllegalPropertyPair(XY);
}
if (tempFixed) {
double tfixed = s.temperature();
if (tfixed > s.maxTemp() + 1.0 || tfixed < s.minTemp() - 1.0) {
throw CanteraError("ChemEquil","Specified temperature ("
+fp2str(m_thermo->temperature())+" K) outside "
"valid range of "+fp2str(m_thermo->minTemp())+" K to "
+fp2str(m_thermo->maxTemp())+" K\n");
}
}
xval = m_p1->value(s);
yval = m_p2->value(s);
int mm = m_mm;
@ -456,6 +465,8 @@ namespace Cantera {
for (int ii = 0; ii < m_mm; ii++) x[ii] = -100.0;
estimateElementPotentials(s, x);
x[m_mm] = log(m_phase->temperature());
vector_fp above(nvar);
vector_fp below(nvar);
@ -549,8 +560,8 @@ namespace Cantera {
&& fabs(deltay) < options.relTolerance) {
options.iterations = iter;
if (m_thermo->temperature() > m_thermo->maxTemp() ||
m_thermo->temperature() < m_thermo->minTemp() ) {
if (m_thermo->temperature() > m_thermo->maxTemp() + 1.0 ||
m_thermo->temperature() < m_thermo->minTemp() - 1.0 ) {
throw CanteraError("ChemEquil","Temperature ("
+fp2str(m_thermo->temperature())+" K) outside "
"valid range of "+fp2str(m_thermo->minTemp())+" K to "