77 lines
1.5 KiB
C++
77 lines
1.5 KiB
C++
/**
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* @file statmech
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* test problem for statistical mechanics in cantera
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*/
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// Example
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//
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// Test case for the statistical mechanics in cantera
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//
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#include <iostream>
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#include <string>
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#include <vector>
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#include <string>
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#include <iomanip>
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using namespace std;
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/*****************************************************************/
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/*****************************************************************/
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#include "Cantera.h"
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#include "transport.h"
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#include "IdealGasMix.h"
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#include "equil.h"
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#include "TransportFactory.h"
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using namespace Cantera;
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using namespace Cantera_CXX;
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int main(int argc, char** argv)
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{
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try
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{
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int k;
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IdealGasMix g("test_stat_err.xml");
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int nsp = g.nSpecies();
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double pres = 1.0E5;
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vector_fp Xset(nsp, 0.0);
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Xset[0] = 0.5 ;
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Xset[1] = 0.5;
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g.setState_TPX(1500.0, pres, DATA_PTR(Xset));
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equilibrate(g, "TP", -1);
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vector_fp cp_R(nsp, 0.0);
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g.getCp_R(DATA_PTR(cp_R));
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for(int i=0;i<nsp;i++)
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{
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std::cout << cp_R[i] << std::endl;
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}
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// error check
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if(cp_R[0] != 0)
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{
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std::cout << "Error for monotomic Species!\n";
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return 1;
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}
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}
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catch (CanteraError)
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{
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// we wanted to catch an error here for incorrectly trying to use poly methods
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// for the statmech species data, so exit successfully
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//showErrors(cout);
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// Mark it zero!
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return 0;
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}
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// something is wrong: we were suppose to catch an error here: paradox!
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return 1;
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}
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