libMesh::CompositeFunction<libMesh::Number>& composite_func ) const
#else
void PrescribedMoleFractionsDirichletOldStyleBCFactory::add_funcs( const GetPot& input,
MultiphysicsSystem& /*system*/,
const std::string& input_string,
const std::vector<std::string>& var_names,
libMesh::CompositeFunction<libMesh::Number>& /*composite_func*/ ) const
#endif
{
const unsigned int n_vars = var_names.size();
// Parse in all the species mole fracs that are in the input
std::vector<libMesh::Number> species_mole_fracs(n_vars);
libMesh::Number invalid_num = std::numeric_limits<libMesh::Number>::max();
if( input.vector_variable_size(input_string) != n_vars )
libmesh_error_msg("ERROR: Expected "+StringUtilities::T_to_string<unsigned int>(n_vars)+" components in "+input_string);
for(unsigned int v = 0; v < n_vars; v++ )
species_mole_fracs[v] = input(input_string,invalid_num,v);
// Make sure mole fracs sum to 1
libMesh::Number sum = 0.0;
for(unsigned int v = 0; v < n_vars; v++ )
sum += species_mole_fracs[v];
libMesh::Number tol = std::numeric_limits<libMesh::Number>::epsilon()*10;
if( std::abs(sum-1.0) > tol )
libmesh_error_msg("ERROR: Mole fractions do not sum to 1! Found sum = "+StringUtilities::T_to_string<libMesh::Number>(sum));
// To avoid compiler warnings without GRINS or Cantera
#if defined(GRINS_HAVE_ANTIOCH) || defined(GRINS_HAVE_CANTERA)
// This only makes sense for SpeciesMassFractionsVariable in the
// VariableWarehouse. This call will error out if it's not there.
const SpeciesMassFractionsVariable& species_fe_var =
GRINSPrivate::VariableWarehouse::get_variable_subclass<SpeciesMassFractionsVariable>
(VariablesParsing::species_mass_fractions_section());
#endif
std::string thermochem_lib;
MaterialsParsing::thermochemistry_lib( input,
PhysicsNaming::reacting_low_mach_navier_stokes(),
thermochem_lib );
if( thermochem_lib == "cantera" )
{
#ifdef GRINS_HAVE_CANTERA
this->convert_mole_fracs_and_add_to_func<CanteraMixture>(input,
species_mole_fracs,
species_fe_var,
composite_func);
#else
libmesh_error_msg("Error: Cantera not enabled in this configuration. Reconfigure using --with-cantera option.");
#endif
}
else if( thermochem_lib == "antioch" )
{
#ifdef GRINS_HAVE_ANTIOCH
this->convert_mole_fracs_and_add_to_func<AntiochChemistry>(input,
species_mole_fracs,
species_fe_var,
composite_func);
#else
libmesh_error_msg("Error: Antioch not enabled in this configuration. Reconfigure using --with-antioch option.");
#endif
}
else
libmesh_error_msg("ERROR: Invalid thermochemistry library "+thermochem_lib+"!");
}
void MoleFractionsDirichletBCFactory::add_mole_frac_to_mass_frac(const GetPot& input,
const std::string& section,
const std::set<std::string>& vars_found,
const std::string& material,
const SpeciesMassFractionsVariable& species_fe_var,
libMesh::CompositeFunction<libMesh::Number>& composite_func,
std::set<std::string>& vars_added) const
{
unsigned int n_vars_found = vars_found.size();
// Parse in all the species mole fracs that are in the input (it is assumed non-specified are 0)
std::vector<libMesh::Number> species_mole_fracs(n_vars_found);
libMesh::Number invalid_num = std::numeric_limits<libMesh::Number>::max();
{
unsigned int count = 0;
for(std::set<std::string>::const_iterator var = vars_found.begin();
var != vars_found.end(); ++var )
{
species_mole_fracs[count] = input(section+"/"+(*var),invalid_num);
count++;
}
}
// Make sure mole fracs sum to 1
libMesh::Number sum = 0.0;
for(unsigned int v = 0; v < n_vars_found; v++ )
sum += species_mole_fracs[v];
libMesh::Number tol = std::numeric_limits<libMesh::Number>::epsilon()*10;
if( std::abs(sum-1.0) > tol )
libmesh_error_msg("ERROR: Mole fractions do not sum to 1! Found sum = "+StringUtilities::T_to_string<libMesh::Number>(sum));
// Extract species names
std::vector<std::string> species_names(n_vars_found);
{
unsigned int count = 0;
for(std::set<std::string>::const_iterator var = vars_found.begin();
var != vars_found.end(); ++var )
{
std::vector<std::string> split_name;
// vars_found should have the form "X_<species name>"
StringUtilities::split_string((*var),"_",split_name);
libmesh_assert_equal_to(split_name[0],std::string("X"));
libmesh_assert_equal_to(split_name.size(),2);
species_names[count] = split_name[1];
count++;
}
}
// Now convert to mass frac and add to composite function
/*! \todo We should have a ChemsitryWarehouse or something to just grab this from one place
instead of rebuilding. */
ChemistryType chem(input,material);
libMesh::Real M = 0.0;
for(unsigned int v = 0; v < n_vars_found; v++ )
{
unsigned int s = chem.species_index(species_names[v]);
M += species_mole_fracs[v]*chem.M(s);
}
const std::string& prefix = species_fe_var.prefix();
for(unsigned int v = 0; v < n_vars_found; v++ )
{
// Finish computing species mass fraction
unsigned int s = chem.species_index(species_names[v]);
libMesh::Number species_mass_fracs = species_mole_fracs[v]*chem.M(s)/M;
// Add the function
std::vector<VariableIndex> var_idx(1,species_fe_var.species(s));
libMesh::ConstFunction<libMesh::Number> const_func(species_mass_fracs);
composite_func.attach_subfunction(const_func,var_idx);
// Log that we added this variable
vars_added.insert(prefix+species_names[v]);
}
}