cantera/test_problems/statmech/statmech_test_Fe.cpp
Harry Moffat 39651964a7 Added back Statmech and PecosTransport.
Rarefied gas dynamics is an import application area for Sandia, and
    it represents a potentially important development direction for Cantera.
    These classes provide inroads into that area.
2014-03-15 02:57:00 +00:00

57 lines
1.2 KiB
C++

/**
* @file statmech
* test problem for statistical mechanics in cantera
*/
// Example
//
// Test case to check error thrown if using Fe (not supported species)
//
#include "cantera/transport.h"
#include "cantera/IdealGasMix.h"
#include "cantera/equil/equil.h"
using namespace std;
using namespace Cantera;
int main(int argc, char** argv)
{
try {
int k;
IdealGasMix g("test_stat_Fe.xml");
int nsp = g.nSpecies();
double pres = 1.0E5;
vector_fp Xset(nsp, 0.0);
Xset[0] = 0.5 ;
Xset[1] = 0.5;
g.setState_TPX(1500.0, pres, DATA_PTR(Xset));
equilibrate(g, "TP", -1);
g.report();
vector_fp cp_R(nsp, 0.0);
g.getCp_R(DATA_PTR(cp_R));
for (int i=0; i<nsp; i++) {
std::cout << cp_R[i] << std::endl;
}
// error check
if (cp_R[0] != 0) {
std::cout << "Error for monotomic Species!\n";
return 1;
}
} catch (CanteraError) {
// need to get error here because of loading Fe in input file, when
// no Fe exists in the species information table, in statmech.cpp
showErrors(cout);
return 0;
}
// Mark it zero!
return 1;
}