int main( int argc, char* argv[] )
{
#ifdef GRINS_HAVE_ANTIOCH
// Check command line count.
if( argc < 2 )
{
// TODO: Need more consistent error handling.
std::cerr << "Error: Must specify input file." << std::endl;
exit(1);
}
GetPot input( argv[1] );
GRINS::AntiochMixture antioch(input);
std::vector<double> mass_fractions( 5, 0.2 );
const double M_N2 = 14.00800*2;
const double M_O2 = 16.0000*2;
const double M_N = 14.00800;
const double M_O = 16.0000;
const double M_NO = 30.00800;
double R_exact = Antioch::Constants::R_universal<double>()*( mass_fractions[0]/M_N2
+ mass_fractions[1]/M_O2
+ mass_fractions[3]/M_N
+ mass_fractions[4]/M_O
+ mass_fractions[2]/M_NO );
double M_exact = 1.0/( mass_fractions[0]/M_N2
+ mass_fractions[1]/M_O2
+ mass_fractions[3]/M_N
+ mass_fractions[4]/M_O
+ mass_fractions[2]/M_NO );
std::vector<double> X_exact(5, 0.0);
X_exact[0] = mass_fractions[0]*M_exact/M_N2;
X_exact[1] = mass_fractions[1]*M_exact/M_O2;
X_exact[3] = mass_fractions[3]*M_exact/M_N;
X_exact[4] = mass_fractions[4]*M_exact/M_O;
X_exact[2] = mass_fractions[2]*M_exact/M_NO;
int return_flag = 0;
const double tol = std::numeric_limits<double>::epsilon()*10;
if( std::fabs( (antioch.R_mix(mass_fractions) - R_exact)/R_exact) > tol )
{
std::cerr << "Error: Mismatch in mixture gas constant." << std::endl
<< std::setprecision(16) << std::scientific
<< "R = " << antioch.R_mix(mass_fractions) << std::endl
<< "R_exact = " << R_exact << std::endl;
return_flag = 1;
}
if( std::fabs( (antioch.M_mix(mass_fractions) - M_exact)/M_exact ) > tol )
{
std::cerr << "Error: Mismatch in mixture molar mass." << std::endl
<< std::setprecision(16) << std::scientific
<< "M = " << antioch.M_mix(mass_fractions) << std::endl
<< "M_exact = " << M_exact << std::endl;
return_flag = 1;
}
std::vector<double> X(5);
antioch.X( antioch.M_mix(mass_fractions), mass_fractions, X );
for( unsigned int s = 0; s < 5; s++ )
{
if( std::fabs( (X[s] - X_exact[s])/X_exact[s]) > tol )
{
std::cerr << "Error: Mismatch in mole fraction for species " << s << std::endl
<< std::setprecision(16) << std::scientific
<< "X = " << X[s] << std::endl
<< "X_exact = " << X_exact[s] << std::endl;
return_flag = 1;
}
}
#else //GRINS_HAVE_ANTIOCH
// automake expects 77 for a skipped test
int return_flag = 77;
#endif
return return_flag;
}
int main( int argc, char* argv[] )
{
// Check command line count.
if( argc < 2 )
{
// TODO: Need more consistent error handling.
std::cerr << "Error: Must specify input file." << std::endl;
exit(1);
}
GetPot input( argv[1] );
GRINS::CanteraMixture cantera(input,"TestMaterial");
std::vector<double> mass_fractions( 5, 0.2 );
const double M_N2 = 14.00674*2;
const double M_O2 = 15.9994*2;
const double M_N = 14.00674;
const double M_O = 15.9994;
const double M_NO = (14.00674+15.9994);
double R_exact = Cantera::GasConstant*( mass_fractions[0]/M_N2
+ mass_fractions[1]/M_O2
+ mass_fractions[3]/M_N
+ mass_fractions[4]/M_O
+ mass_fractions[2]/M_NO );
double M_exact = 1.0/( mass_fractions[0]/M_N2
+ mass_fractions[1]/M_O2
+ mass_fractions[3]/M_N
+ mass_fractions[4]/M_O
+ mass_fractions[2]/M_NO );
std::vector<double> X_exact(5, 0.0);
X_exact[0] = mass_fractions[0]*M_exact/M_N2;
X_exact[1] = mass_fractions[1]*M_exact/M_O2;
X_exact[3] = mass_fractions[3]*M_exact/M_N;
X_exact[4] = mass_fractions[4]*M_exact/M_O;
X_exact[2] = mass_fractions[2]*M_exact/M_NO;
int return_flag = 0;
const double tol = std::numeric_limits<double>::epsilon()*10;
if( std::fabs( (cantera.R_mix(mass_fractions) - R_exact)/R_exact) > tol )
{
std::cerr << "Error: Mismatch in mixture gas constant." << std::endl
<< std::setprecision(16) << std::scientific
<< "R = " << cantera.R_mix(mass_fractions) << std::endl
<< "R_exact = " << R_exact << std::endl;
return_flag = 1;
}
if( std::fabs( (cantera.M_mix(mass_fractions) - M_exact)/M_exact ) > tol )
{
std::cerr << "Error: Mismatch in mixture molar mass." << std::endl
<< std::setprecision(16) << std::scientific
<< "M = " << cantera.M_mix(mass_fractions) << std::endl
<< "M_exact = " << M_exact << std::endl;
return_flag = 1;
}
std::vector<double> X(5);
cantera.X( cantera.M_mix(mass_fractions), mass_fractions, X );
for( unsigned int s = 0; s < 5; s++ )
{
if( std::fabs( (X[s] - X_exact[s])/X_exact[s]) > tol )
{
std::cerr << "Error: Mismatch in mole fraction for species " << s << std::endl
<< std::setprecision(16) << std::scientific
<< "X = " << X[s] << std::endl
<< "X_exact = " << X_exact[s] << std::endl;
return_flag = 1;
}
}
return return_flag;
}
