From f011e48326aff652ff889ca2ac061355ce620534 Mon Sep 17 00:00:00 2001
From: pospelov <pospelov@fz-juelich.de>
Date: Tue, 11 Dec 2012 09:51:08 +0100
Subject: [PATCH] New TestToyExperiment to test whole fitting chain
---
App/App.pro | 8 ++-
App/inc/IsGISAXSTools.h | 1 +
App/inc/ROOTMinimizerFunction.h | 79 ++++++++++++++++++++
App/inc/TestFumiliLMA.h | 1 -
App/inc/TestToyExperiment.h | 83 +++++++++++++++++++++
App/src/FunctionalTestFactory.cpp | 3 +
App/src/IsGISAXSTools.cpp | 13 ++++
App/src/ROOTMinimizer.cpp | 3 +
App/src/ROOTMinimizerFunction.cpp | 5 ++
App/src/TestFumiliLMA.cpp | 26 ++-----
App/src/TestToyExperiment.cpp | 115 ++++++++++++++++++++++++++++++
Core/Tools/inc/FitSuite.h | 4 --
Core/Tools/inc/IMinimizer.h | 4 --
Core/Tools/src/FitSuite.cpp | 11 ---
14 files changed, 315 insertions(+), 41 deletions(-)
create mode 100644 App/inc/ROOTMinimizerFunction.h
create mode 100644 App/inc/TestToyExperiment.h
create mode 100644 App/src/ROOTMinimizerFunction.cpp
create mode 100644 App/src/TestToyExperiment.cpp
diff --git a/App/App.pro b/App/App.pro
index caf94fb33fc..14afb166f9c 100644
--- a/App/App.pro
+++ b/App/App.pro
@@ -51,7 +51,9 @@ SOURCES += \
src/TestPerformance.cpp \
src/TestRootTree.cpp \
src/TestRoughness.cpp \
- src/TreeEventStructure.cpp
+ src/TestToyExperiment.cpp \
+ src/TreeEventStructure.cpp \
+ src/ROOTMinimizerFunction.cpp
HEADERS += \
inc/App.h \
@@ -93,7 +95,9 @@ HEADERS += \
inc/TestPerformance.h \
inc/TestRootTree.h \
inc/TestRoughness.h \
- inc/TreeEventStructure.h
+ inc/TestToyExperiment.h \
+ inc/TreeEventStructure.h \
+ inc/ROOTMinimizerFunction.h
INCLUDEPATH += ./inc ../Core/Algorithms/inc ../Core/FormFactors/inc ../Core/Geometry/inc ../Core/Samples/inc ../Core/Tools/inc ../Core/PythonAPI/inc
DEPENDPATH += ./inc ../Core/Algorithms/inc ../Core/FormFactors/inc ../Core/Geometry/inc ../Core/Samples/inc ../Core/Tools/inc ../Core/PythonAPI/inc
diff --git a/App/inc/IsGISAXSTools.h b/App/inc/IsGISAXSTools.h
index 621dd4cdf9f..0b0318b4117 100644
--- a/App/inc/IsGISAXSTools.h
+++ b/App/inc/IsGISAXSTools.h
@@ -106,6 +106,7 @@ public:
//! create noisy data
static OutputData<double > *createNoisyData(const OutputData<double> &exact_data, double noise_factor = 0.1);
+ static OutputData<double > *createDataWithGaussianNoise(const OutputData<double> &exact_data, double sigma);
private:
static double m_hist_min; // minimum value of y-axis (for 1D histograms), or z-axis (for 2D histograms)
diff --git a/App/inc/ROOTMinimizerFunction.h b/App/inc/ROOTMinimizerFunction.h
new file mode 100644
index 00000000000..09489e3095f
--- /dev/null
+++ b/App/inc/ROOTMinimizerFunction.h
@@ -0,0 +1,79 @@
+#ifndef ROOTMINIMIZERFUNCTION_H
+#define ROOTMINIMIZERFUNCTION_H
+// ********************************************************************
+// * The BornAgain project *
+// * Simulation of neutron and x-ray scattering at grazing incidence *
+// * *
+// * LICENSE AND DISCLAIMER *
+// * Lorem ipsum dolor sit amet, consectetur adipiscing elit. Mauris *
+// * eget quam orci. Quisque porta varius dui, quis posuere nibh *
+// * mollis quis. Mauris commodo rhoncus porttitor. *
+// ********************************************************************
+//! @file ROOTMinimizerFunction.h
+//! @brief Definition of ROOTMinimizerFunction
+//! @author Scientific Computing Group at FRM II
+//! @date Dec 10, 2012
+
+
+
+//#include "Math/Minimizer.h"
+//#include "Math/Factory.h"
+//#include "Math/FitMethodFunction.h"
+
+
+////- -------------------------------------------------------------------
+////! @class ROOTMinimizerFunction
+////! @brief
+////- -------------------------------------------------------------------
+
+//class ROOTMinimizerFunction : public ROOT::Math::FitMethodFunction
+//{
+//public:
+// typedef ROOT::Math::BasicFitMethodFunction<ROOT::Math::IMultiGenFunction>::Type_t Type_t;
+// typedef boost::function<double(const double *)> function_eval_t;
+// typedef boost::function<double(const double *, unsigned int, double *)> function_element_t;
+
+// ROOTMinimizerFunction();
+// virtual ~ROOTMinimizerFunction(){}
+
+// Type_t Type() const { return ROOT::Math::FitMethodFunction::kLeastSquare; }
+// ROOT::Math::IMultiGenFunction * Clone() const { return new MyChi2Function(m_test); }
+
+// double DoEval(const double * par) const {
+
+
+//};
+
+
+//class MyChi2Function : public ROOT::Math::FitMethodFunction
+//{
+//public:
+// typedef ROOT::Math::BasicFitMethodFunction<ROOT::Math::IMultiGenFunction>::Type_t Type_t;
+
+// MyChi2Function(TestFumiliLMA *test) : ROOT::Math::FitMethodFunction(test->m_ndim, test->m_real_data->getAllocatedSize()), m_test(test) {}
+// virtual ~MyChi2Function(){}
+
+// Type_t Type() const { return ROOT::Math::FitMethodFunction::kLeastSquare; }
+// ROOT::Math::IMultiGenFunction * Clone() const { return new MyChi2Function(m_test); }
+
+// // evaluation of the all chi2
+// double DoEval(const double * par) const {
+// int ndata = NPoints();
+// std::cout << "DoEval: " << ndata << std::endl;
+// double chi2 = 0;
+// for (int i = 0; i < ndata; ++i) {
+// double res = DataElement( par, i);
+// chi2 += res*res;
+// }
+// //std::cout << "DoEval: chi" << chi2/double(ndata) << std::endl;
+// return chi2/double(ndata);
+// }
+
+// double DataElement(const double *par, unsigned int i, double *g = 0) const;
+
+// TestFumiliLMA *m_test;
+//};
+
+
+
+#endif // ROOTMINIMIZERFUNCTION_H
diff --git a/App/inc/TestFumiliLMA.h b/App/inc/TestFumiliLMA.h
index 4d9b4228bd5..acc06904d94 100644
--- a/App/inc/TestFumiliLMA.h
+++ b/App/inc/TestFumiliLMA.h
@@ -47,7 +47,6 @@ public:
double functionToMinimize(const double *pars);
private:
- OutputData<double > *createDataWithGaussianNoise(const OutputData<double> &exact_data, double sigma);
void FillOutputDataFromFunction(OutputData<double> &data, TF2 *fun, int nbinsx=100, int nbinsy=100);
ROOT::Math::Minimizer *m_root_minimizer; //! minimizer
diff --git a/App/inc/TestToyExperiment.h b/App/inc/TestToyExperiment.h
new file mode 100644
index 00000000000..2c7a4084c49
--- /dev/null
+++ b/App/inc/TestToyExperiment.h
@@ -0,0 +1,83 @@
+#ifndef TESTTOYEXPERIMENT_H
+#define TESTTOYEXPERIMENT_H
+// ********************************************************************
+// * The BornAgain project *
+// * Simulation of neutron and x-ray scattering at grazing incidence *
+// * *
+// * LICENSE AND DISCLAIMER *
+// * Lorem ipsum dolor sit amet, consectetur adipiscing elit. Mauris *
+// * eget quam orci. Quisque porta varius dui, quis posuere nibh *
+// * mollis quis. Mauris commodo rhoncus porttitor. *
+// ********************************************************************
+//! @file TestToyExperiment.h
+//! @brief Tests of fitting chain using toy experiment
+//! @author Scientific Computing Group at FRM II
+//! @date 10.12.2012
+
+#include "IFunctionalTest.h"
+#include "Experiment.h"
+#include "OutputData.h"
+#include "TestFumiliLMA.h"
+#include "FitSuite.h"
+
+#include <vector>
+#include "TF2.h"
+
+
+//- -------------------------------------------------------------------
+//! @class ToyExperiment
+//! @brief Toy experiment to test whole fitting chain with simple 2D functions
+//- -------------------------------------------------------------------
+class ToyExperiment : public Experiment
+{
+public:
+ ToyExperiment(TF2 *func) : m_func(func) { pars.resize(func->GetNpar(), 0.0); setName("ToyExperiment"); init_parameters(); }
+ virtual ~ToyExperiment() {}
+ virtual void runSimulation();
+ virtual ToyExperiment *clone() const { return new ToyExperiment(*this); }
+ void setParameter(size_t i, double value) { pars[i] = value; }
+protected:
+ virtual void init_parameters();
+private:
+ ToyExperiment(const ToyExperiment &other) : Experiment(other)
+ {
+ m_func = other.m_func;
+ pars = other.pars;
+ setName("ToyExperiment");
+ init_parameters();
+ }
+ TF2 *m_func;
+ std::vector<double > pars;
+};
+
+
+
+
+//- -------------------------------------------------------------------
+//! @class TestToyExperiment
+//! @brief Test of fitting chain using toy experiment
+//- -------------------------------------------------------------------
+class TestToyExperiment : public IFunctionalTest
+{
+public:
+ TestToyExperiment();
+ virtual ~TestToyExperiment();
+ virtual void execute();
+
+private:
+ void initializeExperimentAndRealData();
+
+ IFunctionObject *m_func_object; //! simulation function
+ TF2 *m_func; //! ROOT representation of the simulation function with min, max defined
+ double m_sigma_noise;
+ ToyExperiment *m_experiment;
+ OutputData<double > *m_real_data;
+ FitSuite *m_fitSuite;
+
+};
+
+
+
+
+
+#endif // TESTTOYEXPERIMENT_H
diff --git a/App/src/FunctionalTestFactory.cpp b/App/src/FunctionalTestFactory.cpp
index f87a1d06a54..dedf8e32104 100644
--- a/App/src/FunctionalTestFactory.cpp
+++ b/App/src/FunctionalTestFactory.cpp
@@ -26,6 +26,7 @@
#include "TestMiscellaneous.h"
#include "TestFittingBenchmark.h"
#include "TestFourier.h"
+#include "TestToyExperiment.h"
#include "TBenchmark.h"
@@ -90,6 +91,8 @@ FunctionalTestFactory::FunctionalTestFactory() : m_benchmark(0)
"functional test: test of Fourier transformation of OutputData maps");
registerItem("fumili", IFactoryCreateFunction<TestFumiliLMA, IFunctionalTest>,
"functional test: test of ROOT's LMA-based minimizers Fumili and GSLMultiFit");
+ registerItem("toyexp", IFactoryCreateFunction<TestToyExperiment, IFunctionalTest>,
+ "functional test: test fitting algorithms with toy experiment");
m_benchmark = new TBenchmark();
}
diff --git a/App/src/IsGISAXSTools.cpp b/App/src/IsGISAXSTools.cpp
index ad21caa47d9..606db559ab9 100644
--- a/App/src/IsGISAXSTools.cpp
+++ b/App/src/IsGISAXSTools.cpp
@@ -590,3 +590,16 @@ OutputData<double > *IsGISAXSTools::createNoisyData(const OutputData<double> &ex
}
+OutputData<double > *IsGISAXSTools::createDataWithGaussianNoise(const OutputData<double> &exact_data, double sigma)
+{
+ OutputData<double > *real_data = exact_data.clone();
+ OutputData<double>::iterator it = real_data->begin();
+ while (it != real_data->end()) {
+ double current = *it;
+ double random = MathFunctions::GenerateNormalRandom(0.0, sigma);
+ *it = current+random;
+ ++it;
+ }
+ return real_data;
+}
+
diff --git a/App/src/ROOTMinimizer.cpp b/App/src/ROOTMinimizer.cpp
index 7fa84a78677..5ae2f91574e 100644
--- a/App/src/ROOTMinimizer.cpp
+++ b/App/src/ROOTMinimizer.cpp
@@ -6,6 +6,9 @@
ROOTMinimizer::ROOTMinimizer(const std::string &minimizer_name, const std::string &algo_type) : m_fcn(0)
{
+ if(minimizer_name == "Minuit2" && algo_type == "Fumili2") {
+ throw LogicErrorException("ROOTMinimizer::ROOTMinimizer() -> Error! Use word Fumili instead of 'Fumili2'");
+ }
m_root_minimizer = ROOT::Math::Factory::CreateMinimizer(minimizer_name.c_str(), algo_type.c_str() );
m_root_minimizer->SetMaxFunctionCalls(20000);
m_root_minimizer->SetMaxIterations(20000);
diff --git a/App/src/ROOTMinimizerFunction.cpp b/App/src/ROOTMinimizerFunction.cpp
new file mode 100644
index 00000000000..5bad80951b4
--- /dev/null
+++ b/App/src/ROOTMinimizerFunction.cpp
@@ -0,0 +1,5 @@
+#include "ROOTMinimizerFunction.h"
+
+//ROOTMinimizerFunction::ROOTMinimizerFunction()
+//{
+//}
diff --git a/App/src/TestFumiliLMA.cpp b/App/src/TestFumiliLMA.cpp
index b379321303c..cf6fc7be325 100644
--- a/App/src/TestFumiliLMA.cpp
+++ b/App/src/TestFumiliLMA.cpp
@@ -46,7 +46,7 @@ TestFumiliLMA::TestFumiliLMA()
// "real" data
OutputData<double> data;
FillOutputDataFromFunction(data, m_func);
- m_real_data = createDataWithGaussianNoise(data, m_sigma);
+ m_real_data = IsGISAXSTools::createDataWithGaussianNoise(data, m_sigma);
}
@@ -72,9 +72,9 @@ void TestFumiliLMA::execute()
//m_root_minimizer = ROOT::Math::Factory::CreateMinimizer("Minuit2", "Migrad" );
//m_root_minimizer = ROOT::Math::Factory::CreateMinimizer("Minuit2", "Fumili" ); // same as ("Fumili2")
//m_root_minimizer = ROOT::Math::Factory::CreateMinimizer("Fumili2"); // same as ("Minuit2", "Fumili" )
- //m_root_minimizer = ROOT::Math::Factory::CreateMinimizer("Minuit2", "Fumili2" ); // same as minuit2/migrad
- m_root_minimizer = ROOT::Math::Factory::CreateMinimizer("Fumili"); //
- //m_root_minimizer = ROOT::Math::Factory::CreateMinimizer("GSLMultiFit");
+ //m_root_minimizer = ROOT::Math::Factory::CreateMinimizer("Minuit2", "Fumili2" ); // same as ("Minuit2", "Migrad" ), i.e. Fumili2 is wrong key
+ //m_root_minimizer = ROOT::Math::Factory::CreateMinimizer("Fumili"); //
+ m_root_minimizer = ROOT::Math::Factory::CreateMinimizer("GSLMultiFit");
m_root_minimizer->SetVariable(0, "p0", 2.0, 0.01);
m_root_minimizer->SetVariable(1, "p1", 0.0, 0.01);
m_root_minimizer->SetVariable(2, "p2", 0.0, 0.01);
@@ -157,20 +157,6 @@ double TestFumiliLMA::functionToMinimize(const double *pars)
/* ************************************************************************* */
//
/* ************************************************************************* */
-OutputData<double > *TestFumiliLMA::createDataWithGaussianNoise(const OutputData<double> &exact_data, double sigma)
-{
- OutputData<double > *real_data = exact_data.clone();
- OutputData<double>::iterator it = real_data->begin();
- while (it != real_data->end()) {
- double current = *it;
- double random = MathFunctions::GenerateNormalRandom(0.0, sigma);
- *it = current+random;
- ++it;
- }
- return real_data;
-}
-
-
void TestFumiliLMA::FillOutputDataFromFunction(OutputData<double> &data, TF2 *fun, int nbinsx, int nbinsy)
{
data.clear();
@@ -197,7 +183,9 @@ void TestFumiliLMA::FillOutputDataFromFunction(OutputData<double> &data, TF2 *fu
double MyChi2Function::DataElement(const double *pars, unsigned int i, double *g ) const
{
double xx[2];
- std::cout << " DataElement() -> " << g << std::endl;
+ std::cout << " DataElement() -> " << g << " " << i;
+ for(size_t i=0; i<m_test->m_func->GetNpar(); ++i) std::cout << " " << pars[i];
+ std::cout << std::endl;
const AxisDouble *xaxis = m_test->m_real_data->getAxis(0);
const AxisDouble *yaxis = m_test->m_real_data->getAxis(1);
size_t index_x = m_test->m_real_data->toCoordinates(i)[0];
diff --git a/App/src/TestToyExperiment.cpp b/App/src/TestToyExperiment.cpp
new file mode 100644
index 00000000000..f32e2afa090
--- /dev/null
+++ b/App/src/TestToyExperiment.cpp
@@ -0,0 +1,115 @@
+#include "TestToyExperiment.h"
+#include "Exceptions.h"
+#include "IsGISAXSTools.h"
+#include "FitSuite.h"
+#include "FitSuiteHelper.h"
+#include "ROOTMinimizer.h"
+#include <iostream>
+
+
+/* ************************************************************************* */
+//
+/* ************************************************************************* */
+void ToyExperiment::runSimulation()
+{
+ if( !m_func ) throw NullPointerException("ToyExperiment::runSimulation() -> Error! No function is defined.");
+
+ m_func->SetParameters(&pars[0]);
+ m_intensity_map.setAllTo(0.0);
+ OutputData<double>::iterator it = m_intensity_map.begin();
+ while( it!= m_intensity_map.end() ) {
+ double phi_f = m_intensity_map.getValueOfAxis("phi_f", it.getIndex());
+ double alpha_f = m_intensity_map.getValueOfAxis("alpha_f", it.getIndex());
+ double value = m_func->Eval(phi_f, alpha_f);
+ (*it) = value;
+ ++it;
+ }
+}
+
+void ToyExperiment::init_parameters()
+{
+ getParameterPool()->clear();
+ for(size_t i=0; i<pars.size(); ++i) {
+ std::ostringstream ostr;
+ ostr << "par"<< i;
+ getParameterPool()->registerParameter(ostr.str(), &pars[i]);
+ }
+}
+
+
+/* ************************************************************************* */
+//
+/* ************************************************************************* */
+TestToyExperiment::TestToyExperiment()
+ : m_func_object(0)
+ , m_func(0)
+ , m_sigma_noise(0)
+ , m_experiment(0)
+ , m_real_data(0)
+{
+ m_sigma_noise = 0.01;
+ m_func_object = new SincXSincYFunctionObject();
+ m_func = new TF2("sincxy", m_func_object, -5.,5., -5.,5., 3, "SincXSincYFunctionObject");
+ //m_func->SetParameters(1.0, 1.0, 0.5); // parameters we have to find
+}
+
+
+TestToyExperiment::~TestToyExperiment()
+{
+ delete m_func_object;
+ delete m_func;
+ delete m_experiment;
+ delete m_real_data;
+ delete m_fitSuite;
+}
+
+
+void TestToyExperiment::execute()
+{
+ std::cout << "TestToyExperiment()::execute() -> Hello World!" << std::endl;
+
+ initializeExperimentAndRealData();
+
+ // setting up fitSuite
+ FitSuite *m_fitSuite = new FitSuite();
+ m_fitSuite->setMinimizer( new ROOTMinimizer("Minuit2", "Migrad") );
+ m_fitSuite->attachObserver( new FitSuiteObserverPrint() );
+ m_fitSuite->attachObserver( new FitSuiteObserverDraw() );
+
+ m_fitSuite->addFitParameter("*/par0", 1.0, 0.01);
+ m_fitSuite->addFitParameter("*/par1", 0.0, 0.01);
+ m_fitSuite->addFitParameter("*/par2", 0.0, 0.01);
+
+ ChiSquaredModule chi_module;
+ chi_module.setChiSquaredFunction(SquaredFunctionWithGaussianError(m_sigma_noise) );
+ m_fitSuite->addExperimentAndRealData(*m_experiment, *m_real_data, chi_module);
+// m_fitSuite->addExperimentAndRealData(*m_experiment, *m_real_data);
+ m_fitSuite->runFit();
+
+}
+
+
+
+/* ************************************************************************* */
+//
+/* ************************************************************************* */
+void TestToyExperiment::initializeExperimentAndRealData()
+{
+ delete m_experiment;
+ m_experiment = new ToyExperiment(m_func);
+
+ OutputData<double > tmp;
+ tmp.addAxis("phi_f", 100, m_func->GetXmin(), m_func->GetXmax());
+ tmp.addAxis("alpha_f", 100, m_func->GetYmin(), m_func->GetYmax());
+ m_experiment->setDetectorParameters(tmp);
+
+ // generating real data
+ delete m_real_data;
+ m_experiment->setParameter(0, 2.0);
+ m_experiment->setParameter(1, 1.0);
+ m_experiment->setParameter(2, 0.5);
+ m_experiment->runSimulation();
+ m_real_data = IsGISAXSTools::createDataWithGaussianNoise(*m_experiment->getOutputData(), m_sigma_noise);
+}
+
+
diff --git a/Core/Tools/inc/FitSuite.h b/Core/Tools/inc/FitSuite.h
index a954400df1a..49833193e84 100644
--- a/Core/Tools/inc/FitSuite.h
+++ b/Core/Tools/inc/FitSuite.h
@@ -72,10 +72,6 @@ public:
//! function to minimize
double functionToMinimize(const double *pars_current_values);
-// //! function gradient
-// double functionGradient(const double *pars, int icoord);
-
-
//! return reference to the kit with data
FitSuiteObjects *getFitObjects() { return &m_fit_objects; }
diff --git a/Core/Tools/inc/IMinimizer.h b/Core/Tools/inc/IMinimizer.h
index bdef292947e..f22fd3b63ae 100644
--- a/Core/Tools/inc/IMinimizer.h
+++ b/Core/Tools/inc/IMinimizer.h
@@ -37,9 +37,6 @@ public:
//! set function to minimize
virtual void setFunction(boost::function<double(const double *)> fcn, int ndim=1) = 0;
-// //! set function and its gradient
-// virtual void setFunctionAndGradient(boost::function<double(const double *)> fcn, boost::function<double(const double *, int)> fcn_deriv, int ndim = 1) = 0;
-
//! run minimization
virtual void minimize() = 0;
@@ -80,7 +77,6 @@ public:
//! set function to minimize
virtual void setFunction(boost::function<double(const double *)> fcn, int ndim=1) { m_fcn = fcn, m_ndim = ndim; }
-// virtual void setFunctionAndGradient(boost::function<double(const double *)> fcn, boost::function<double(const double *, int)> fcn_deriv, int ndim = 1) { (void)fcn; (void)fcn_deriv; (void)ndim; throw NotImplementedException("TestMinimizer::setFunctionGradient"); }
//! run minimization
virtual void minimize()
diff --git a/Core/Tools/src/FitSuite.cpp b/Core/Tools/src/FitSuite.cpp
index f508af25b2a..bde80ad6744 100644
--- a/Core/Tools/src/FitSuite.cpp
+++ b/Core/Tools/src/FitSuite.cpp
@@ -84,13 +84,8 @@ void FitSuite::link_fit_parameters()
void FitSuite::minimize()
{
// initializing minimizer with fcn function belonging to given class
- //m_minimizer->setFunction( std::bind1st(std::mem_fun(&FitSuite::functionToMinimize), this), (int)m_fit_parameters.size() );
m_minimizer->setFunction( boost::bind(&FitSuite::functionToMinimize, this, _1), (int)m_fit_parameters.size() );
-// m_minimizer->setFunctionAndGradient(boost::bind(&FitSuite::functionToMinimize, this, _1),
-// boost::bind(&FitSuite::functionGradient, this, _1, _2),
-// (int)m_fit_parameters.size() );
-
// propagating local fit parameters to the minimizer's internal list of parameters
for(size_t i_par = 0; i_par<m_fit_parameters.size(); i_par++) {
m_minimizer->setVariable((int)i_par, m_fit_parameters[i_par] );
@@ -171,9 +166,3 @@ double FitSuite::functionToMinimize(const double *pars_current_values)
}
-//double FitSuite::functionGradient(const double *pars, int icoord)
-//{
-// std::cout << " functionGradient " << icoord << std::endl;
-// return 0.0;
-//}
-
--
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