Return SimulationResult getters back into FitObjective class

Core/Fitting/FitObjective.cpp

@@ -103,6 +103,38 @@ size_t FitObjective::numberOfFitElements() const
                            [](size_t acc, auto& obj) { return acc + obj.numberOfFitElements(); });
 }
 
+//! Returns simulation result in the form of SimulationResult.
+SimulationResult FitObjective::simulationResult(size_t i_item) const
+{
+    return dataPair(i_item).simulationResult();
+}
+
+//! Returns experimental data in the form of SimulationResult.
+SimulationResult FitObjective::experimentalData(size_t i_item) const
+{
+    return dataPair(i_item).experimentalData();
+}
+
+//! Returns experimental data uncertainties in the form of SimulationResult.
+SimulationResult FitObjective::uncertaintyData(size_t i_item) const
+{
+    return dataPair(i_item).uncertainties();
+}
+
+//! Returns relative difference between simulation and experimental data
+//! in the form of SimulationResult.
+SimulationResult FitObjective::relativeDifference(size_t i_item) const
+{
+    return dataPair(i_item).relativeDifference();
+}
+
+//! Returns absolute value of difference between simulation and experimental data
+//! in the form of SimulationResult.
+SimulationResult FitObjective::absoluteDifference(size_t i_item) const
+{
+    return dataPair(i_item).absoluteDifference();
+}
+
 std::vector<double> FitObjective::experimental_array() const
 {
     return composeArray(&SimDataPair::experimental_array);

Core/Fitting/FitObjective.h

@@ -80,6 +80,12 @@ public:
 
     size_t numberOfFitElements() const;
 
+    SimulationResult simulationResult(size_t i_item = 0) const;
+    SimulationResult experimentalData(size_t i_item = 0) const;
+    SimulationResult uncertaintyData(size_t i_item = 0) const;
+    SimulationResult relativeDifference(size_t i_item = 0) const;
+    SimulationResult absoluteDifference(size_t i_item = 0) const;
+
     //! Returns one dimensional array representing merged experimental data.
     //! The area outside of the region of interest is not included, masked data is nullified.
     std::vector<double> experimental_array() const;
@@ -96,8 +102,10 @@ public:
     //! The area outside of the region of interest is not included, masked data is nullified.
     std::vector<double> weights_array() const;
 
+#ifndef SWIG
     //! Returns a reference to i-th SimDataPair.
     const SimDataPair& dataPair(size_t i_item = 0) const;
+#endif // SWIG
 
     //! Initializes printing to standard output during the fitting.
     //! @param every_nth: Print every n'th iteration.

Wrap/swig/extendCore.i

@@ -247,35 +247,11 @@ class ObserverCallbackWrapper(PyObserverCallback):
         self.wrp_plot_observer = ObserverCallbackWrapper(callback)
         return self.initPlot_cpp(every_nth, self.wrp_plot_observer)
 
-    def simulationResult(self, i=0):
-        """
-        Returns simulated values for i-th simulation-data pair
-        """
-        return self.dataPair(i).simulationResult();
-
-    def experimentalData(self, i=0):
-        """
-        Returns experimental values for i-th simulation-data pair
-        """
-        return self.dataPair(i).experimentalData();
-
     def uncertaintyData(self, i=0):
         """
         Returns uncertainties for i-th simulation-data pair
         """
-        return self.dataPair(i).uncertainties();
-
-    def relativeDifference(self, i=0):
-        """
-        Returns relative difference for i-th simulation-data pair
-        """
-        return self.dataPair(i).relativeDifference();
-
-    def absoluteDifference(self, i=0):
-        """
-        Returns absolute difference for i-th simulation-data pair
-        """
-        return self.dataPair(i).absoluteDifference();
+        return self.uncertaintyData_cpp(i);
 %}
 };
 

Wrap/swig/ignores.i

@@ -41,10 +41,6 @@
 // ignored to avoid error (todo: check whether this is really necessary)
 %ignore Crystal::getTransformedLattice(const IRotation*) const;
 
-// ignored to prevent SimDataPair non-const methods being exposed to python API
-%ignore SimDataPair::SimDataPair;
-%ignore SimDataPair::runSimulation;
-
 // extra ignores for types and methods that shouldn't be visible in Python
 %ignore FormFactorDWBAPol;
 %ignore ISampleVisitor::visit(const FormFactorDWBAPol*);

Wrap/swig/libBornAgainCore.i

@@ -218,7 +218,6 @@
 #include "Rotations.h"
 #include "SampleBuilderFactory.h"
 #include "ScanResolution.h"
-#include "SimDataPair.h"
 #include "Simulation.h"
 #include "Simulation2D.h"
 #include "SimulationFactory.h"
@@ -474,7 +473,6 @@
 %include "Rotations.h"
 %include "ISelectionRule.h"
 %include "DepthProbeSimulation.h"
-%include "SimDataPair.h"
 %include "SpecularSimulation.h"
 %include "ThreadInfo.h"
 %template(SampleBuilderFactoryTemp) IFactory<std::string, IMultiLayerBuilder>;

Wrap/swig/renameCore.i

@@ -7,6 +7,7 @@
 %rename(evaluate_cpp) FitObjective::evaluate;
 %rename(finalize_cpp) FitObjective::finalize;
 %rename(initPlot_cpp) FitObjective::initPlot;
+%rename(uncertaintyData_cpp) FitObjective::uncertaintyData;
 
 // force swig to use move ctor instead of copy ctor
 %typemap(out) SlicedParticle %{