From 16dfd44ab5cb8f91af00f0865f830733acdf847e Mon Sep 17 00:00:00 2001
From: Gennady Pospelov <g.pospelov@fz-juelich.de>
Date: Wed, 30 Sep 2015 10:47:41 +0200
Subject: [PATCH] Vector of FitElement is introduced with the idea to refactor
ChiSquaredModule
---
Core/Algorithms/inc/FitElement.h | 33 +++++++++++++++++++-
Core/Algorithms/src/ChiSquaredModule.cpp | 23 +++++++++++++-
Core/Algorithms/src/FitElement.cpp | 1 +
Fit/FitKernel/inc/FitSuite.h | 5 ++++
Fit/FitKernel/inc/FitSuiteObjects.h | 2 ++
Fit/FitKernel/src/FitObject.cpp | 1 +
Fit/FitKernel/src/FitSuite.cpp | 5 ++++
Fit/FitKernel/src/FitSuiteObjects.cpp | 35 +++++++++++++++++-----
Fit/PythonAPI/src/FitSuite.pypp.cpp | 6 ++--
Fit/PythonAPI/src/FitSuiteObjects.pypp.cpp | 10 +++++++
dev-tools/python-bindings/settings_fit.py | 10 +++++--
11 files changed, 116 insertions(+), 15 deletions(-)
diff --git a/Core/Algorithms/inc/FitElement.h b/Core/Algorithms/inc/FitElement.h
index b9e0ad35503..eb8069d98b3 100644
--- a/Core/Algorithms/inc/FitElement.h
+++ b/Core/Algorithms/inc/FitElement.h
@@ -35,6 +35,13 @@ public:
double getRealValue() const;
+ double getWeight() const;
+
+ double getSquaredDifference() const;
+ void setSquaredDifference(double value);
+
+ double getResidual() const;
+ void setResidual(double value);
private:
void swapContent(FitElement &other);
@@ -49,7 +56,7 @@ private:
inline double FitElement::getSimulValue() const
{
- return m_real_value;
+ return m_simul_value;
}
inline double FitElement::getRealValue() const
@@ -57,6 +64,30 @@ inline double FitElement::getRealValue() const
return m_real_value;
}
+inline double FitElement::getWeight() const
+{
+ return m_weight;
+}
+
+inline double FitElement::getSquaredDifference() const
+{
+ return m_squared_difference;
+}
+
+inline void FitElement::setSquaredDifference(double value)
+{
+ m_squared_difference = value;
+}
+
+inline double FitElement::getResidual() const
+{
+ return m_residual;
+}
+
+inline void FitElement::setResidual(double value)
+{
+ m_residual = value;
+}
#endif
diff --git a/Core/Algorithms/src/ChiSquaredModule.cpp b/Core/Algorithms/src/ChiSquaredModule.cpp
index 360eee5b6e2..3be21e5b572 100644
--- a/Core/Algorithms/src/ChiSquaredModule.cpp
+++ b/Core/Algorithms/src/ChiSquaredModule.cpp
@@ -159,8 +159,29 @@ OutputData<double>* ChiSquaredModule::createChi2DifferenceMap() const
void ChiSquaredModule::processFitElements(std::vector<FitElement>::iterator first,
std::vector<FitElement>::iterator last)
{
+ assert(mp_squared_function);
+
for (std::vector<FitElement>::iterator it = first; it != last; ++it) {
- std::cout << it->getRealValue() << " " << it->getSimulValue() << std::endl;
+ double value_simu = it->getSimulValue();
+ double value_real = it->getRealValue();
+ double weight = it->getWeight();
+
+ if(mp_intensity_function) {
+ value_simu = mp_intensity_function->evaluate(value_simu);
+ value_real = mp_intensity_function->evaluate(value_real);
+ }
+
+ double squared_difference =
+ mp_squared_function->calculateSquaredDifference(
+ value_real, value_simu)*weight;
+
+ it->setSquaredDifference(squared_difference);
+
+ double squared_error = mp_squared_function->calculateSquaredError(value_real, value_simu);
+ double residual = std::sqrt(weight)*(value_simu - value_real)/std::sqrt(squared_error);
+
+ it->setResidual(residual);
+
}
}
diff --git a/Core/Algorithms/src/FitElement.cpp b/Core/Algorithms/src/FitElement.cpp
index ea2e3e1ed4c..8727e2e8478 100644
--- a/Core/Algorithms/src/FitElement.cpp
+++ b/Core/Algorithms/src/FitElement.cpp
@@ -54,6 +54,7 @@ FitElement &FitElement::operator=(const FitElement &other)
return *this;
}
+
void FitElement::swapContent(FitElement &other)
{
std::swap(this->m_simul_value, other.m_simul_value);
diff --git a/Fit/FitKernel/inc/FitSuite.h b/Fit/FitKernel/inc/FitSuite.h
index 36138877ed9..c99407d2451 100644
--- a/Fit/FitKernel/inc/FitSuite.h
+++ b/Fit/FitKernel/inc/FitSuite.h
@@ -59,9 +59,14 @@ class BA_CORE_API_ FitSuite : public IObservable
//! Sets minimizer
void setMinimizer(IMinimizer *minimizer);
+
+ void setMinimizer(std::string& minimizer, const std::string& algorithm = std::string(), const std::string& options=std::string());
+
//! Returns minimizer
IMinimizer *getMinimizer() { return m_minimizer; }
+
+
//! link fitting parameters to parameters defined in simulations
virtual void link_fit_parameters();
diff --git a/Fit/FitKernel/inc/FitSuiteObjects.h b/Fit/FitKernel/inc/FitSuiteObjects.h
index 4b5d0169eab..18c9dfdff56 100644
--- a/Fit/FitKernel/inc/FitSuiteObjects.h
+++ b/Fit/FitKernel/inc/FitSuiteObjects.h
@@ -60,6 +60,8 @@ class BA_CORE_API_ FitSuiteObjects : public IParameterized
//! Returns sum of chi squared values for all fit objects
double calculateChiSquaredValue();
+ double calculateChiSquaredValueNew();
+
//! Returns residuals for single data element
//! @pars global_index index accross all OutputData defined
double getResidualValue(size_t global_index);
diff --git a/Fit/FitKernel/src/FitObject.cpp b/Fit/FitKernel/src/FitObject.cpp
index 227e618bf1d..6635fbc3c5e 100644
--- a/Fit/FitKernel/src/FitObject.cpp
+++ b/Fit/FitKernel/src/FitObject.cpp
@@ -118,5 +118,6 @@ std::vector<FitElement> FitObject::calculateFitElements()
result.push_back(element);
}
+ m_chi2_module->processFitElements(result.begin(), result.end());
return result;
}
diff --git a/Fit/FitKernel/src/FitSuite.cpp b/Fit/FitKernel/src/FitSuite.cpp
index bea043d8c0e..a81eab0bb9f 100644
--- a/Fit/FitKernel/src/FitSuite.cpp
+++ b/Fit/FitKernel/src/FitSuite.cpp
@@ -85,6 +85,11 @@ void FitSuite::setMinimizer(IMinimizer *minimizer)
}
}
+void FitSuite::setMinimizer(std::string &minimizer, const std::string &algorithm, const std::string &options)
+{
+ setMinimizer(MinimizerFactory::createMinimizer(minimizer, algorithm, options));
+}
+
//! link FitMultiParameters with simulation parameters
void FitSuite::link_fit_parameters()
{
diff --git a/Fit/FitKernel/src/FitSuiteObjects.cpp b/Fit/FitKernel/src/FitSuiteObjects.cpp
index 348950f33ac..a83234d7213 100644
--- a/Fit/FitKernel/src/FitSuiteObjects.cpp
+++ b/Fit/FitKernel/src/FitSuiteObjects.cpp
@@ -46,20 +46,24 @@ void FitSuiteObjects::add(
//! loop through all defined simulations and run them
void FitSuiteObjects::runSimulations()
{
-// for(FitObjects_t::iterator it =
-// m_fit_objects.begin(); it!= m_fit_objects.end(); ++it) {
-// (*it)->getSimulation()->runSimulation();
-//// if(m_simulation_normalize) {
-//// (*it)->getSimulation()->normalize();
-//// }
-// }
-// m_chi_squared_value = calculateChiSquaredValue();
+ for(FitObjects_t::iterator it =
+ m_fit_objects.begin(); it!= m_fit_objects.end(); ++it) {
+ (*it)->getSimulation()->runSimulation();
+// if(m_simulation_normalize) {
+// (*it)->getSimulation()->normalize();
+// }
+ }
+ m_chi_squared_value = calculateChiSquaredValue();
+ std::cout << "aaa " << m_chi_squared_value;
for(FitObjects_t::iterator it =
m_fit_objects.begin(); it!= m_fit_objects.end(); ++it) {
m_fit_elements = (*it)->calculateFitElements();
}
+ m_chi_squared_value = calculateChiSquaredValueNew();
+ std::cout << "aaa2 " << m_chi_squared_value << std::endl;
+
}
//! Returns total number of data points
@@ -117,6 +121,21 @@ double FitSuiteObjects::calculateChiSquaredValue()
return result;
}
+double FitSuiteObjects::calculateChiSquaredValueNew()
+{
+ double result(0);
+ for(std::vector<FitElement>::iterator it=m_fit_elements.begin(); it!=m_fit_elements.end(); ++it) {
+ result += it->getSquaredDifference();
+ }
+
+ int fnorm = m_fit_elements.size() - m_nfree_parameters;
+ if(fnorm <=0) {
+ throw LogicErrorException("FitSuiteObjects::calculateChiSquaredValueNew() -> Error. Normalization is 0");
+ }
+
+ return result/fnorm;
+}
+
double FitSuiteObjects::getResidualValue(size_t global_index)
{
size_t index(0);
diff --git a/Fit/PythonAPI/src/FitSuite.pypp.cpp b/Fit/PythonAPI/src/FitSuite.pypp.cpp
index da3c54783f0..1784eb3e9a3 100644
--- a/Fit/PythonAPI/src/FitSuite.pypp.cpp
+++ b/Fit/PythonAPI/src/FitSuite.pypp.cpp
@@ -231,7 +231,7 @@ void register_FitSuite_class(){
"getMinimizer"
, getMinimizer_function_type( &::FitSuite::getMinimizer )
, bp::return_value_policy< bp::reference_existing_object >()
- , "Sets minimizer." );
+ , "Returns minimizer." );
}
{ //::FitSuite::getNCalls
@@ -350,12 +350,12 @@ void register_FitSuite_class(){
}
{ //::FitSuite::setMinimizer
- typedef void ( ::FitSuite::*setMinimizer_function_type)( ::IMinimizer * ) ;
+ typedef void ( ::FitSuite::*setMinimizer_function_type)( ::std::string &,::std::string const &,::std::string const & ) ;
FitSuite_exposer.def(
"setMinimizer"
, setMinimizer_function_type( &::FitSuite::setMinimizer )
- , ( bp::arg("minimizer") )
+ , ( bp::arg("minimizer"), bp::arg("algorithm")=std::basic_string<char, std::char_traits<char>, std::allocator<char> >(), bp::arg("options")=std::basic_string<char, std::char_traits<char>, std::allocator<char> >() )
, "Sets minimizer." );
}
diff --git a/Fit/PythonAPI/src/FitSuiteObjects.pypp.cpp b/Fit/PythonAPI/src/FitSuiteObjects.pypp.cpp
index 8bb01a8eba6..cb92262f92f 100644
--- a/Fit/PythonAPI/src/FitSuiteObjects.pypp.cpp
+++ b/Fit/PythonAPI/src/FitSuiteObjects.pypp.cpp
@@ -135,6 +135,16 @@ void register_FitSuiteObjects_class(){
, calculateChiSquaredValue_function_type( &::FitSuiteObjects::calculateChiSquaredValue )
, "Returns sum of chi squared values for all fit objects." );
+ }
+ { //::FitSuiteObjects::calculateChiSquaredValueNew
+
+ typedef double ( ::FitSuiteObjects::*calculateChiSquaredValueNew_function_type)( ) ;
+
+ FitSuiteObjects_exposer.def(
+ "calculateChiSquaredValueNew"
+ , calculateChiSquaredValueNew_function_type( &::FitSuiteObjects::calculateChiSquaredValueNew )
+ , "Returns sum of chi squared values for all fit objects." );
+
}
{ //::FitSuiteObjects::clear
diff --git a/dev-tools/python-bindings/settings_fit.py b/dev-tools/python-bindings/settings_fit.py
index 04b949d631a..d8d3d9cf3ec 100644
--- a/dev-tools/python-bindings/settings_fit.py
+++ b/dev-tools/python-bindings/settings_fit.py
@@ -144,9 +144,9 @@ def ManualClassTunings(mb):
#for fun in cl.member_functions(allow_empty=True):
#if "addFitParameter" in fun.name:
#fun.include()
- cl.member_function("getMinimizer").include()
+ # cl.member_function("getMinimizer").include()
cl.member_function( "getMinimizer" ).call_policies = call_policies.return_value_policy( call_policies.reference_existing_object )
- cl.member_function("setMinimizer").include()
+ # cl.member_function("setMinimizer").include()
#cl.member_function("addSimulationAndRealData").include()
#cl.member_function("runFit").include()
#cl.member_function("printResults").include()
@@ -188,6 +188,12 @@ def ManualClassTunings(mb):
cl.member_function("getChiSquaredMap").call_policies = \
call_policies.return_value_policy(call_policies.manage_new_object)
+ cl = mb.class_("ChiSquaredModule")
+ cl.member_function("processFitElements").exclude()
+ cl = mb.class_("IChiSquaredModule")
+ cl.member_function("processFitElements").exclude()
+ cl = mb.class_("FitObject")
+ cl.member_function("calculateFitElements").exclude()
# excluding specific member functions
--
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