void PrescribedMoleFractionsDirichletOldStyleBCFactory::
convert_mole_fracs_and_add_to_func
(const GetPot& input, const std::vector<libMesh::Number>& species_mole_fracs,
const SpeciesMassFractionsVariable& species_fe_var,
libMesh::CompositeFunction<libMesh::Number>& composite_func) const
{
const std::string& material = species_fe_var.material();
/*! \todo We should have a ChemsitryWarehouse or something to just
grab this from one place instead of rebuilding. */
ChemistryBuilder chem_builder;
std::unique_ptr<ChemistryType> chem_ptr;
chem_builder.build_chemistry(input,material,chem_ptr);
const ChemistryType & chem = *chem_ptr;
const unsigned int n_vars = species_mole_fracs.size();
// Compute M
libMesh::Real M = 0.0;
for( unsigned int s = 0; s < n_vars; s++ )
M += species_mole_fracs[s]*chem.M(s);
// Convert mole fractions to mass fractions and add to function
for( unsigned int s = 0; s < n_vars; s++ )
{
libMesh::Number species_mass_fracs =species_mole_fracs[s]*chem.M(s)/M;
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);
}
}
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]);
}
}