void Window_Profiles::Plot_Profiles()
{
// Find the right x variable, together with the x axis lable
QVector<double> axis_x;
QString axis_x_title;
FindXVariable(axis_x, axis_x_title);
// XY Plot
XYPlot* xyplot;
xyplot = new XYPlot(this);
xyplot->SetAbscissas(axis_x);
xyplot->SetXTitle(axis_x_title);
// Select additional y variables
unsigned int n_selected_additional;
{
QList<QListWidgetItem*> selected_additional = ui.listWidget_Additional->selectedItems();
n_selected_additional = selected_additional.size();
for(unsigned int j=0;j<n_selected_additional;j++)
{
for(unsigned int k=0;k<data_->string_list_additional.size();k++)
if (selected_additional[j]->text() == data_->string_list_additional[k])
{
xyplot->AddGraph(selected_additional[j]->text().toStdString(), data_->additional[k]);
break;
}
}
}
// Select y variables among the species
{
QList<QListWidgetItem*> selected_species = ui.listWidget_Species->selectedItems();
unsigned int n_selected_species = selected_species.size();
if (n_selected_species == 0 && n_selected_additional == 0)
{
QMessageBox msgBox;
msgBox.setText(QString::fromStdString("At least one species must be selected in the Species Panel"));
msgBox.exec();
return;
}
for(unsigned int j=0;j<n_selected_species;j++)
{
for(unsigned int k=0;k<data_->string_list_massfractions_sorted.size();k++)
if (selected_species[j]->text() == data_->string_list_massfractions_sorted[k])
{
QVector<double> tmp = data_->omega[data_->sorted_index[k]];
const double mwj = data_->mw_species_[data_->sorted_index[k]];
if (ui.radioButton_x->isChecked())
{
for(unsigned int i=0;i<data_->number_of_abscissas_;i++)
tmp[i] = tmp[i] * data_->additional[data_->index_MW][i] / mwj;
}
else if (ui.radioButton_c->isChecked())
{
for(unsigned int i=0;i<data_->number_of_abscissas_;i++)
{
double cTot = data_->additional[data_->index_P][i]/PhysicalConstants::R_J_kmol/data_->additional[data_->index_T][i];
tmp[i] = cTot * tmp[i] * data_->additional[data_->index_MW][i] / mwj;
}
}
else if (ui.radioButton_p->isChecked())
{
for(unsigned int i=0;i<data_->number_of_abscissas_;i++)
tmp[i] = tmp[i] * data_->additional[data_->index_MW][i] / mwj * (data_->additional[data_->index_P][i]/101325.);
}
xyplot->AddGraph(selected_species[j]->text().toStdString(), tmp);
break;
}
}
}
// Plot
xyplot->Plot();
}
void Window_Profiles::Plot_Selectivities()
{
// Find the right x variable, together with the x axis lable
QVector<double> axis_x;
QString axis_x_title;
FindXVariable(axis_x, axis_x_title);
// XY Plot
XYPlot* xyplot;
xyplot = new XYPlot(this);
xyplot->SetXTitle(axis_x_title);
xyplot->SetYTitle("selectivity [-]");
// Find the species for the conversion
unsigned int index_species_conversion = data_->list_of_conversion_species_[ui.comboBox_Conversion->currentIndex()];
// If the conversion is too small, the sensitivity coefficient is badly defined
// Therefore the calculation is skipped in those points
const double eta_threshold = 1.e-6;
QVector<double> omega_conversion = data_->omega[index_species_conversion];
QVector<double> eta_x;
for(unsigned int i=0;i<data_->number_of_abscissas_;i++)
{
const double conversion = (omega_conversion[0] - omega_conversion[i])/omega_conversion[0];
if (conversion > eta_threshold)
eta_x.push_back(axis_x[i]);
}
xyplot->SetAbscissas(eta_x);
// Reconstruct the profiles
{
QList<QListWidgetItem*> selected_species_selectivity = ui.listWidget_Species_Selectivity->selectedItems();
unsigned int n_selected_species = selected_species_selectivity.size();
if (n_selected_species == 0)
{
QMessageBox msgBox;
msgBox.setText(QString::fromStdString("At least one species must be selected in the Species (Selectivity) Panel"));
msgBox.exec();
return;
}
for(unsigned int j=0;j<n_selected_species;j++)
{
for(unsigned int k=0;k<data_->string_list_massfractions_sorted.size();k++)
if (selected_species_selectivity[j]->text() == data_->string_list_massfractions_sorted[k])
{
unsigned int index_selectivity = data_->sorted_index[k];
QVector<double> sigma;
for(unsigned int i=0;i<data_->number_of_abscissas_;i++)
{
const double conversion = (omega_conversion[0] - omega_conversion[i])/omega_conversion[0];
if (conversion > eta_threshold)
sigma.push_back(data_->omega[index_selectivity][i]/omega_conversion[0]/conversion);
}
if (ui.radioButton_Selectivity_Mole->isChecked() == true)
{
const double mw_conversion = data_->mw_species_[index_species_conversion];
const double mw_selectivity = data_->mw_species_[index_selectivity];
for(unsigned int i=0;i<sigma.size();i++)
sigma[i] *= mw_conversion/mw_selectivity;
}
if (ui.radioButton_Selectivity_Element->isChecked() == true)
{
const double n_conversion = data_->thermodynamicsMapXML->atomic_composition()(index_species_conversion, ui.comboBox_Elements->currentIndex());
const double n_selectivity = data_->thermodynamicsMapXML->atomic_composition()(index_selectivity, ui.comboBox_Elements->currentIndex());
if (n_conversion > 0)
{
const double mw_conversion = data_->mw_species_[index_species_conversion];
const double mw_selectivity = data_->mw_species_[index_selectivity];
for(unsigned int i=0;i<sigma.size();i++)
sigma[i] *= mw_conversion/mw_selectivity *n_selectivity/n_conversion;
}
else
{
QMessageBox msgBox;
msgBox.setText(QString::fromStdString("The selected element is not present in the selected species (conversion side)"));
msgBox.exec();
return;
}
}
xyplot->AddGraph(selected_species_selectivity[j]->text().toStdString(), sigma);
break;
}
}
// Plot
xyplot->Plot();
}
}
