/** * @file statmech * test problem for statistical mechanics in cantera */ // Example // // Test case for the statistical mechanics in cantera // #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_err.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); vector_fp cp_R(nsp, 0.0); g.getCp_R(DATA_PTR(cp_R)); } catch (CanteraError) { // we wanted to catch an error here for incorrectly trying to use poly methods // for the statmech species data, so exit successfully //showErrors(cout); // Mark it zero! return 0; } // something is wrong: we were suppose to catch an error here: paradox! return 1; }