add m_use_dataset

GUI/Model/Job/JobItem.cpp

@@ -73,7 +73,7 @@ JobItem::JobItem()
 }
 
 JobItem::JobItem(const SampleItem* sampleItem, const InstrumentItem* instrumentItem,
-                 const DatafileItem* dfile_item, const SimulationOptionsItem* optionItem, int)
+                 const DatafileItem* dfile_item, const SimulationOptionsItem* optionItem)
     : m_simulation_options_item(std::make_unique<SimulationOptionsItem>(*optionItem))
     , m_parameter_container(std::make_unique<ParameterContainerItem>())
     , m_sample_item(sampleItem->clone())

GUI/Model/Job/JobItem.h

@@ -39,7 +39,7 @@ class JobItem : public QObject {
 public:
     JobItem();
     JobItem(const SampleItem* sampleItem, const InstrumentItem* instrumentItem,
-            const DatafileItem* dfile_item, const SimulationOptionsItem* optionItem, int);
+            const DatafileItem* dfile_item, const SimulationOptionsItem* optionItem);
     ~JobItem();
 
     //... job properties

GUI/Model/Sim/SimulationOptionsItem.cpp

@@ -27,6 +27,7 @@ const QString UseAverageMaterials("UseAverageMaterials");
 const QString IncludeSpecularPeak("IncludeSpecularPeak");
 const QString UseFastMesoAlgorithm("UseFastMesoAlgorithm");
 const QString MesoCutoffRadius("MesoCutoffRadius");
+const QString UseDataset("UseDataset");
 const QString ExpandOptionsGroupbox("ExpandOptionsGroupbox");
 const QString ExpandAdvancedOptionsGroupbox("ExpandAdvancedOptionsGroupbox");
 
@@ -60,6 +61,7 @@ void SimulationOptionsItem::writeTo(QXmlStreamWriter* w) const
     XML::writeTaggedValue(w, Tag::IncludeSpecularPeak, m_include_specular_peak);
     XML::writeTaggedValue(w, Tag::UseFastMesoAlgorithm, m_use_meso_reciprocal_sum);
     XML::writeTaggedValue(w, Tag::MesoCutoffRadius, m_meso_radius_factor);
+    XML::writeTaggedValue(w, Tag::UseDataset, m_use_dataset);
     XML::writeTaggedValue(w, Tag::ExpandAdvancedOptionsGroupbox, expandAdvancedOptions);
     XML::writeTaggedValue(w, Tag::ExpandOptionsGroupbox, expandOptions);
 }
@@ -84,6 +86,8 @@ void SimulationOptionsItem::readFrom(QXmlStreamReader* r)
             m_use_meso_reciprocal_sum = XML::readTaggedBool(r, tag);
         else if (tag == Tag::MesoCutoffRadius)
             m_meso_radius_factor = XML::readTaggedDouble(r, tag);
+        else if (tag == Tag::UseDataset)
+            m_use_dataset = XML::readTaggedBool(r, tag);
         else if (tag == Tag::ExpandOptionsGroupbox)
             expandOptions = XML::readTaggedBool(r, tag);
         else if (tag == Tag::ExpandAdvancedOptionsGroupbox)

GUI/Model/Sim/SimulationOptionsItem.h

@@ -51,6 +51,9 @@ public:
     void setIncludeSpecularPeak(bool b) { m_include_specular_peak = b; }
     bool includeSpecularPeak() const { return m_include_specular_peak; }
 
+    void setUseDataset(bool b) { m_use_dataset = b; }
+    bool useDataset() const { return m_use_dataset; }
+
     void writeTo(QXmlStreamWriter* w) const;
     void readFrom(QXmlStreamReader* r);
 
@@ -66,6 +69,7 @@ private:
     bool m_include_specular_peak = false;
     bool m_use_meso_reciprocal_sum = false;
     double m_meso_radius_factor = 2.1;
+    bool m_use_dataset = true;
 };
 
 #endif // BORNAGAIN_GUI_MODEL_SIM_SIMULATIONOPTIONSITEM_H

GUI/View/View/SimulationView.cpp

@@ -153,7 +153,9 @@ SimulationView::SimulationView()
     l_setup->addWidget(new QLabel("Simulation setup:"), 1, 0, 1, 1, Qt::AlignCenter);
     l_setup->addWidget(new QLabel("Instrument:"), 0, 1, 1, 1, Qt::AlignCenter);
     l_setup->addWidget(new QLabel("Sample:"), 0, 3, 1, 1, Qt::AlignCenter);
-    l_setup->addWidget(new QLabel("Data:"), 0, 5, 1, 1, Qt::AlignCenter);
+
+    m_use_dataset = new QCheckBox("Data:");
+    l_setup->addWidget(m_use_dataset, 0, 5, 1, 1, Qt::AlignCenter);
 
     QFont names_font;
     names_font.setBold(true);
@@ -234,6 +236,11 @@ SimulationView::SimulationView()
     connect(m_meso_radius_factor, &QDoubleSpinBox::valueChanged, [this] { updateStateFromUI(); });
 
     connect(m_include_specular_check, &QCheckBox::toggled, [this] { updateStateFromUI(); });
+
+    connect(m_use_dataset, &QCheckBox::toggled, [this] {
+        updateStateFromUI();
+        updateEnabling();
+    });
 }
 
 void SimulationView::showEvent(QShowEvent*)
@@ -296,6 +303,8 @@ void SimulationView::writeOptionsToUI()
                                      ? gDoc->datafiles()->currentItem()->name()
                                      : "--------------------");
 
+    m_use_dataset->setChecked(optionsItem()->useDataset());
+
     updateEnabling();
 }
 
@@ -324,7 +333,7 @@ void SimulationView::simulate()
         return;
     }
     auto* job_item = new JobItem(gDoc->samples()->currentItem(), gDoc->instruments()->currentItem(),
-                                 nullptr /*gDoc->datafiles()->currentItem()*/, optionsItem(), 137);
+                                 gDoc->datafiles()->currentItem(), optionsItem());
     gDoc->jobsRW()->addJobItem(job_item);
     GUI::Sim::simulate(job_item, gDoc->jobsRW());
     gDoc->setModified();
@@ -364,12 +373,15 @@ void SimulationView::readOptionsFromUI()
         optionsItem()->setFastMesocrystalCalc(true);
         optionsItem()->setMesocrystalCutoff(m_meso_radius_factor->value());
     }
+
+    optionsItem()->setUseDataset(m_use_dataset->isChecked());
 }
 
 void SimulationView::updateEnabling()
 {
     m_number_of_monte_carlo_points->setEnabled(m_monte_carlo_radio->isChecked());
     m_meso_radius_factor->setEnabled(m_fourier_sum->isChecked());
+    m_current_data_name->setEnabled(m_use_dataset->isChecked());
 }
 
 void SimulationView::updateSelection(QComboBox* comboBox, QStringList itemList, int currentIndex,

GUI/View/View/SimulationView.h

@@ -93,6 +93,7 @@ private:
     QLabel* m_current_instrument_name;
     QLabel* m_current_sample_name;
     QLabel* m_current_data_name;
+    QCheckBox* m_use_dataset;
 
     QPushButton* m_simulate_button;
     QPushButton* m_export_to_py_script_button;