diff --git a/Sim/Fitting/FitObjective.cpp b/Sim/Fitting/FitObjective.cpp
index 8de498271eec2448d86dadc8b99a3cf0c3c1460a..f65ac12fde5b3b53c620b9b413b6d379648f902d 100644
--- a/Sim/Fitting/FitObjective.cpp
+++ b/Sim/Fitting/FitObjective.cpp
@@ -216,14 +216,14 @@ SimulationResult FitObjective::uncertaintyData(size_t i_item) const
//! Returns relative difference between simulation and experimental data
//! in the form of SimulationResult.
-std::vector<double> FitObjective::relativeDifference(size_t i_item) const
+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.
-std::vector<double> FitObjective::absoluteDifference(size_t i_item) const
+SimulationResult FitObjective::absoluteDifference(size_t i_item) const
{
return dataPair(i_item).absoluteDifference();
}
diff --git a/Sim/Fitting/FitObjective.h b/Sim/Fitting/FitObjective.h
index 0d8eac05d33565373ac42820582fdd85f0c5715d..b0027ee427403df72d88d08bc16db04bd0c3a8b6 100644
--- a/Sim/Fitting/FitObjective.h
+++ b/Sim/Fitting/FitObjective.h
@@ -76,8 +76,8 @@ public:
SimulationResult simulationResult(size_t i_item = 0) const;
SimulationResult experimentalData(size_t i_item = 0) const;
SimulationResult uncertaintyData(size_t i_item = 0) const;
- std::vector<double> relativeDifference(size_t i_item = 0) const;
- std::vector<double> absoluteDifference(size_t i_item = 0) const;
+ SimulationResult relativeDifference(size_t i_item = 0) const;
+ SimulationResult absoluteDifference(size_t i_item = 0) const;
std::vector<double> experimental_array() const;
std::vector<double> simulation_array() const;
diff --git a/Sim/Fitting/SimDataPair.cpp b/Sim/Fitting/SimDataPair.cpp
index 304018b82bda60317f8d08b17ad36bc5e91ffcad..a7f941b6f01e4f9c87c9507c102591efd6897bcd 100644
--- a/Sim/Fitting/SimDataPair.cpp
+++ b/Sim/Fitting/SimDataPair.cpp
@@ -193,7 +193,7 @@ std::vector<double> SimDataPair::user_weights_array() const
//! Returns relative difference between simulation and experimental data.
-std::vector<double> SimDataPair::relativeDifference() const
+SimulationResult SimDataPair::relativeDifference() const
{
size_t N = m_sim_data->size();
if (!N)
@@ -201,14 +201,16 @@ std::vector<double> SimDataPair::relativeDifference() const
if (!m_exp_data || m_exp_data->size() != N)
throw std::runtime_error("Different data shapes => won't compute relative difference");
- std::vector<double> result(N, 0.);
+ std::vector<double> data(N, 0.);
for (size_t i = 0; i < N; ++i)
- result[i] = Numeric::relativeDifference(result[i], (*m_exp_data)[i]);
+ data[i] = Numeric::relativeDifference((*m_sim_data)[i], (*m_exp_data)[i]);
- return result;
+ const Frame* f = m_sim_data->frame().clone();
+ Datafield df(f, data);
+ return {df, f};
}
-std::vector<double> SimDataPair::absoluteDifference() const
+SimulationResult SimDataPair::absoluteDifference() const
{
size_t N = m_sim_data->size();
if (!N)
@@ -216,11 +218,13 @@ std::vector<double> SimDataPair::absoluteDifference() const
if (!m_exp_data || m_exp_data->size() != N)
throw std::runtime_error("Different data shapes => won't compute absolute difference");
- std::vector<double> result(N, 0.);
+ std::vector<double> data(N, 0.);
for (size_t i = 0; i < N; ++i)
- result[i] = std::abs(result[i] - (*m_exp_data)[i]);
+ data[i] = std::abs((*m_sim_data)[i] - (*m_exp_data)[i]);
- return result;
+ const Frame* f = m_sim_data->frame().clone();
+ Datafield df(f, data);
+ return {df, f};
}
void SimDataPair::validate() const
diff --git a/Sim/Fitting/SimDataPair.h b/Sim/Fitting/SimDataPair.h
index 166fa93bc7154088a9514652ad9acd3ee873aef6..26afefe108a8dc799737e8334ae4b590c0231510 100644
--- a/Sim/Fitting/SimDataPair.h
+++ b/Sim/Fitting/SimDataPair.h
@@ -56,11 +56,11 @@ public:
//! Returns the relative difference between simulated
//! and experimental data cut to the ROI area
- std::vector<double> relativeDifference() const;
+ SimulationResult relativeDifference() const;
//! Returns the absolute difference between simulated
//! and experimental data cut to the ROI area
- std::vector<double> absoluteDifference() const;
+ SimulationResult absoluteDifference() const;
//! Returns the flattened simulated intensities cut to the ROI area
std::vector<double> simulation_array() const;
diff --git a/auto/Wrap/libBornAgainSim.py b/auto/Wrap/libBornAgainSim.py
index 0ed39a6320fb8947cc0463446fa154abdde7ec7f..a0c979ac9d807c3a7a02389dc7962e3999df259d 100644
--- a/auto/Wrap/libBornAgainSim.py
+++ b/auto/Wrap/libBornAgainSim.py
@@ -2364,11 +2364,11 @@ class FitObjective(object):
return _libBornAgainSim.FitObjective_uncertaintyData_cpp(self, i_item)
def relativeDifference(self, i_item=0):
- r"""relativeDifference(FitObjective self, size_t i_item=0) -> vdouble1d_t"""
+ r"""relativeDifference(FitObjective self, size_t i_item=0) -> SimulationResult"""
return _libBornAgainSim.FitObjective_relativeDifference(self, i_item)
def absoluteDifference(self, i_item=0):
- r"""absoluteDifference(FitObjective self, size_t i_item=0) -> vdouble1d_t"""
+ r"""absoluteDifference(FitObjective self, size_t i_item=0) -> SimulationResult"""
return _libBornAgainSim.FitObjective_absoluteDifference(self, i_item)
def experimental_array(self):
diff --git a/auto/Wrap/libBornAgainSim_wrap.cpp b/auto/Wrap/libBornAgainSim_wrap.cpp
index 3bc782622b103b6733f0819bb2471920f16d233d..cea4dcd4ab94845eb2d590bc46377bd514324100 100644
--- a/auto/Wrap/libBornAgainSim_wrap.cpp
+++ b/auto/Wrap/libBornAgainSim_wrap.cpp
@@ -31168,7 +31168,7 @@ SWIGINTERN PyObject *_wrap_FitObjective_relativeDifference__SWIG_0(PyObject *sel
int res1 = 0 ;
size_t val2 ;
int ecode2 = 0 ;
- std::vector< double,std::allocator< double > > result;
+ SimulationResult result;
if ((nobjs < 2) || (nobjs > 2)) SWIG_fail;
res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_FitObjective, 0 | 0 );
@@ -31182,7 +31182,7 @@ SWIGINTERN PyObject *_wrap_FitObjective_relativeDifference__SWIG_0(PyObject *sel
}
arg2 = static_cast< size_t >(val2);
result = ((FitObjective const *)arg1)->relativeDifference(arg2);
- resultobj = swig::from(static_cast< std::vector< double,std::allocator< double > > >(result));
+ resultobj = SWIG_NewPointerObj((new SimulationResult(result)), SWIGTYPE_p_SimulationResult, SWIG_POINTER_OWN | 0 );
return resultobj;
fail:
return NULL;
@@ -31194,7 +31194,7 @@ SWIGINTERN PyObject *_wrap_FitObjective_relativeDifference__SWIG_1(PyObject *sel
FitObjective *arg1 = (FitObjective *) 0 ;
void *argp1 = 0 ;
int res1 = 0 ;
- std::vector< double,std::allocator< double > > result;
+ SimulationResult result;
if ((nobjs < 1) || (nobjs > 1)) SWIG_fail;
res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_FitObjective, 0 | 0 );
@@ -31203,7 +31203,7 @@ SWIGINTERN PyObject *_wrap_FitObjective_relativeDifference__SWIG_1(PyObject *sel
}
arg1 = reinterpret_cast< FitObjective * >(argp1);
result = ((FitObjective const *)arg1)->relativeDifference();
- resultobj = swig::from(static_cast< std::vector< double,std::allocator< double > > >(result));
+ resultobj = SWIG_NewPointerObj((new SimulationResult(result)), SWIGTYPE_p_SimulationResult, SWIG_POINTER_OWN | 0 );
return resultobj;
fail:
return NULL;
@@ -31260,7 +31260,7 @@ SWIGINTERN PyObject *_wrap_FitObjective_absoluteDifference__SWIG_0(PyObject *sel
int res1 = 0 ;
size_t val2 ;
int ecode2 = 0 ;
- std::vector< double,std::allocator< double > > result;
+ SimulationResult result;
if ((nobjs < 2) || (nobjs > 2)) SWIG_fail;
res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_FitObjective, 0 | 0 );
@@ -31274,7 +31274,7 @@ SWIGINTERN PyObject *_wrap_FitObjective_absoluteDifference__SWIG_0(PyObject *sel
}
arg2 = static_cast< size_t >(val2);
result = ((FitObjective const *)arg1)->absoluteDifference(arg2);
- resultobj = swig::from(static_cast< std::vector< double,std::allocator< double > > >(result));
+ resultobj = SWIG_NewPointerObj((new SimulationResult(result)), SWIGTYPE_p_SimulationResult, SWIG_POINTER_OWN | 0 );
return resultobj;
fail:
return NULL;
@@ -31286,7 +31286,7 @@ SWIGINTERN PyObject *_wrap_FitObjective_absoluteDifference__SWIG_1(PyObject *sel
FitObjective *arg1 = (FitObjective *) 0 ;
void *argp1 = 0 ;
int res1 = 0 ;
- std::vector< double,std::allocator< double > > result;
+ SimulationResult result;
if ((nobjs < 1) || (nobjs > 1)) SWIG_fail;
res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_FitObjective, 0 | 0 );
@@ -31295,7 +31295,7 @@ SWIGINTERN PyObject *_wrap_FitObjective_absoluteDifference__SWIG_1(PyObject *sel
}
arg1 = reinterpret_cast< FitObjective * >(argp1);
result = ((FitObjective const *)arg1)->absoluteDifference();
- resultobj = swig::from(static_cast< std::vector< double,std::allocator< double > > >(result));
+ resultobj = SWIG_NewPointerObj((new SimulationResult(result)), SWIGTYPE_p_SimulationResult, SWIG_POINTER_OWN | 0 );
return resultobj;
fail:
return NULL;
@@ -36262,8 +36262,8 @@ static PyMethodDef SwigMethods[] = {
{ "FitObjective_simulationResult", _wrap_FitObjective_simulationResult, METH_VARARGS, "FitObjective_simulationResult(FitObjective self, size_t i_item=0) -> SimulationResult"},
{ "FitObjective_experimentalData", _wrap_FitObjective_experimentalData, METH_VARARGS, "FitObjective_experimentalData(FitObjective self, size_t i_item=0) -> SimulationResult"},
{ "FitObjective_uncertaintyData_cpp", _wrap_FitObjective_uncertaintyData_cpp, METH_VARARGS, "FitObjective_uncertaintyData_cpp(FitObjective self, size_t i_item=0) -> SimulationResult"},
- { "FitObjective_relativeDifference", _wrap_FitObjective_relativeDifference, METH_VARARGS, "FitObjective_relativeDifference(FitObjective self, size_t i_item=0) -> vdouble1d_t"},
- { "FitObjective_absoluteDifference", _wrap_FitObjective_absoluteDifference, METH_VARARGS, "FitObjective_absoluteDifference(FitObjective self, size_t i_item=0) -> vdouble1d_t"},
+ { "FitObjective_relativeDifference", _wrap_FitObjective_relativeDifference, METH_VARARGS, "FitObjective_relativeDifference(FitObjective self, size_t i_item=0) -> SimulationResult"},
+ { "FitObjective_absoluteDifference", _wrap_FitObjective_absoluteDifference, METH_VARARGS, "FitObjective_absoluteDifference(FitObjective self, size_t i_item=0) -> SimulationResult"},
{ "FitObjective_experimental_array", _wrap_FitObjective_experimental_array, METH_O, "FitObjective_experimental_array(FitObjective self) -> vdouble1d_t"},
{ "FitObjective_simulation_array", _wrap_FitObjective_simulation_array, METH_O, "FitObjective_simulation_array(FitObjective self) -> vdouble1d_t"},
{ "FitObjective_uncertainties_cpp", _wrap_FitObjective_uncertainties_cpp, METH_O, "FitObjective_uncertainties_cpp(FitObjective self) -> vdouble1d_t"},