//////////////////////////////////////////////////////////////////
// The read functions.
//////////////////////////////////////////////////////////////////
Id makeStandardElements( Id pa, const string& modelname )
{
Shell* shell = reinterpret_cast< Shell* >( Id().eref().data() );
//cout << " kkit read " << pa << " " << modelname << " "<< MooseGlobal;
string modelPath = pa.path() + "/" + modelname;
if ( pa == Id() )
modelPath = "/" + modelname;
Id mgr( modelPath );
if ( mgr == Id() )
mgr = shell->doCreate( "Neutral", pa, modelname, 1, MooseGlobal );
Id kinetics( modelPath + "/kinetics" );
if ( kinetics == Id() ) {
kinetics =
shell->doCreate( "CubeMesh", mgr, "kinetics", 1, MooseGlobal );
SetGet2< double, unsigned int >::set( kinetics, "buildDefaultMesh", 1e-15, 1 );
}
assert( kinetics != Id() );
Id graphs = shell->doCreate( "Neutral", mgr, "graphs", 1, MooseGlobal);
assert( graphs != Id() );
Id moregraphs = shell->doCreate( "Neutral", mgr, "moregraphs", 1, MooseGlobal );
Id geometry = shell->doCreate( "Neutral", mgr, "geometry", 1, MooseGlobal );
assert( geometry != Id() );
Id groups =
shell->doCreate( "Neutral", mgr, "groups", 1, MooseGlobal );
assert( groups != Id() );
return mgr;
}
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 mixture( input, GRINS::MaterialsParsing::material_name(input,GRINS::PhysicsNaming::reacting_low_mach_navier_stokes()) );
GRINS::CanteraKinetics kinetics( mixture );
libMesh::Real T0 = input( "Conditions/T0", 300.0 );
libMesh::Real T1 = input( "Conditions/T1", 300.0 );
libMesh::Real T_inc = input( "Conditions/T_increment", 100.0 );
libMesh::Real rho = input( "Conditions/density", 1.0e-3 );
const unsigned int n_species = mixture.n_species();
std::vector<double> Y(n_species,0.0);
for( unsigned int s = 0; s < n_species; s++ )
{
Y[s] = input( "Conditions/mass_fractions", 0.0, s );
}
std::vector<double> omega_dot(n_species,0.0);
libMesh::Real T = T0;
std::ofstream output;
output.open( "omega_dot.dat", std::ios::trunc );
output << "# Species names" << std::endl;
for( unsigned int s = 0; s < n_species; s++ )
{
output << mixture.species_name( s ) << " ";
}
output << std::endl;
output << "# T [K] omega_dot [kg/m^3-s]" << std::endl;
output.close();
while( T < T1 )
{
kinetics.omega_dot( T, rho, Y, omega_dot );
output.open( "omega_dot.dat", std::ios::app );
output << T << " ";
for( unsigned int i = 0; i < n_species; i++ )
{
output << std::scientific << std::setprecision(16)
<< omega_dot[i] << " ";
}
output << std::endl;
output.close();
T += T_inc;
}
return 0;
}
