From 38d0b6000d81ef349bbc7866059ecc49952814da Mon Sep 17 00:00:00 2001
From: Ali Hassan <ali@ali-HP-Pavilion-g6-Notebook-PC.(none)>
Date: Fri, 25 Jan 2013 13:41:35 -0500
Subject: [PATCH] commit for merging
---
App/App.pro | 6 +-
App/inc/StandardSamples.h | 14 +-
App/inc/TestFormFactors.h | 38 +++
App/src/FunctionalTestFactory.cpp | 6 +
App/src/SampleFactory.cpp | 13 +-
App/src/StandardSamples.cpp | 282 ++++++++++++++++++
App/src/TestFormFactors.cpp | 118 ++++++++
Core/Core.pro | 18 +-
Core/FormFactors/inc/FormFactorBox.h | 59 ++++
Core/FormFactors/inc/FormFactorCone.h | 71 +++++
Core/FormFactors/inc/FormFactorCylinder.h | 2 -
Core/FormFactors/inc/FormFactorEllipsoid.h | 61 ++++
Core/FormFactors/inc/FormFactorFullSphere.h | 4 +-
Core/FormFactors/inc/FormFactorFullSpheroid.h | 61 ++++
Core/FormFactors/inc/FormFactorHemiSpheroid.h | 69 +++++
Core/FormFactors/inc/FormFactorPrism3.h | 4 +-
Core/FormFactors/inc/FormFactorSphere.h | 61 ++++
Core/FormFactors/src/FormFactorBox.cpp | 47 +++
Core/FormFactors/src/FormFactorCone.cpp | 111 +++++++
Core/FormFactors/src/FormFactorCylinder.cpp | 15 -
Core/FormFactors/src/FormFactorEllipsoid.cpp | 52 ++++
Core/FormFactors/src/FormFactorFullSphere.cpp | 9 -
.../src/FormFactorFullSpheroid.cpp | 79 +++++
.../src/FormFactorHemiSpheroid.cpp | 119 ++++++++
Core/FormFactors/src/FormFactorSphere.cpp | 112 +++++++
shared.pri | 2 +-
26 files changed, 1392 insertions(+), 41 deletions(-)
create mode 100644 App/inc/TestFormFactors.h
create mode 100644 App/src/TestFormFactors.cpp
create mode 100644 Core/FormFactors/inc/FormFactorBox.h
create mode 100644 Core/FormFactors/inc/FormFactorCone.h
create mode 100644 Core/FormFactors/inc/FormFactorEllipsoid.h
create mode 100644 Core/FormFactors/inc/FormFactorFullSpheroid.h
create mode 100644 Core/FormFactors/inc/FormFactorHemiSpheroid.h
create mode 100644 Core/FormFactors/inc/FormFactorSphere.h
create mode 100644 Core/FormFactors/src/FormFactorBox.cpp
create mode 100644 Core/FormFactors/src/FormFactorCone.cpp
create mode 100644 Core/FormFactors/src/FormFactorEllipsoid.cpp
create mode 100644 Core/FormFactors/src/FormFactorFullSpheroid.cpp
create mode 100644 Core/FormFactors/src/FormFactorHemiSpheroid.cpp
create mode 100644 Core/FormFactors/src/FormFactorSphere.cpp
diff --git a/App/App.pro b/App/App.pro
index cb555dc6d86..c5c81769280 100644
--- a/App/App.pro
+++ b/App/App.pro
@@ -50,7 +50,8 @@ SOURCES += \
src/TestPerformance.cpp \
src/TestRootTree.cpp \
src/TestRoughness.cpp \
- src/TreeEventStructure.cpp
+ src/TreeEventStructure.cpp \
+ src/TestFormFactors.cpp
HEADERS += \
inc/App.h \
@@ -91,7 +92,8 @@ HEADERS += \
inc/TestPerformance.h \
inc/TestRootTree.h \
inc/TestRoughness.h \
- inc/TreeEventStructure.h
+ inc/TreeEventStructure.h \
+ inc/TestFormFactors.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/StandardSamples.h b/App/inc/StandardSamples.h
index 00e41f52040..caf1c14f4c6 100644
--- a/App/inc/StandardSamples.h
+++ b/App/inc/StandardSamples.h
@@ -29,9 +29,17 @@ ISample *IsGISAXS10_CylindersParacrystal1D();
ISample *IsGISAXS11_CoreShellParticles();
ISample *MesoCrystal1();
ISample *MesoCrystal2();
+ISample *FormFactor_Box();
+ISample *FormFactor_Cone();
+ISample *FormFactor_Sphere();
+ISample *FormFactor_Ellipsoid();
+ISample *FormFactor_FullSpheroid();
+ISample *FormFactor_HemiSpheroid();
+ISample *FormFactor_Parallelpiped();
+ISample *FormFactor_Cylinder();
+ISample *FormFactor_Pyramid();
+ISample *FormFactor_FullSphere();
+ISample *FormFactor_Prism3();
}
-
-
-
#endif // STANDARDSAMPLES_H
diff --git a/App/inc/TestFormFactors.h b/App/inc/TestFormFactors.h
new file mode 100644
index 00000000000..58c884df066
--- /dev/null
+++ b/App/inc/TestFormFactors.h
@@ -0,0 +1,38 @@
+#ifndef TESTFORMFACTORS_H
+#define TESTFORMFACTORS_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 TestFormFactors.h
+//! @brief Definition of TestFormFactors class for FormFactors validation
+//! @author Scientific Computing Group at FRM II
+//! @date Jun 28, 2012
+
+#include "IFunctionalTest.h"
+#include "OutputData.h"
+#include "ISample.h"
+
+
+//- -------------------------------------------------------------------
+//! @class TestFormFactors
+//! @brief Comparison with FormFactors ex-1: mean forfactor cylinder and prism
+//- -------------------------------------------------------------------
+class TestFormFactors : public IFunctionalTest
+{
+public:
+ TestFormFactors(){}
+ virtual ~TestFormFactors(){}
+
+ virtual void execute();
+ virtual void finalise();
+private:
+ std::string m_data_path;
+};
+
+#endif // TESTFORMFACTORS_H
diff --git a/App/src/FunctionalTestFactory.cpp b/App/src/FunctionalTestFactory.cpp
index 270d2025ec5..eb563714c8d 100644
--- a/App/src/FunctionalTestFactory.cpp
+++ b/App/src/FunctionalTestFactory.cpp
@@ -16,6 +16,9 @@
#include "TestDetectorResolution.h"
#include "TestMesoCrystal1.h"
#include "TestMesoCrystal2.h"
+
+#include "TestFormFactors.h"
+
#include "TestRootTree.h"
#include "TestFittingModule1.h"
#include "TestFittingModule2.h"
@@ -88,6 +91,9 @@ FunctionalTestFactory::FunctionalTestFactory() : m_benchmark(0)
registerItem("fourier", IFactoryCreateFunction<TestFourier, IFunctionalTest>,
"functional test: test of Fourier transformation of OutputData maps");
+ registerItem("FormFactors", IFactoryCreateFunction<TestFormFactors, IFunctionalTest>,
+ "functional test: FormFactors");
+
m_benchmark = new TBenchmark();
}
diff --git a/App/src/SampleFactory.cpp b/App/src/SampleFactory.cpp
index f414cf5c0d3..7d43c2cdaf4 100644
--- a/App/src/SampleFactory.cpp
+++ b/App/src/SampleFactory.cpp
@@ -58,5 +58,16 @@ SampleFactory::SampleFactory()
// mesocrystal's
registerItem("MesoCrystal1", StandardSamples::MesoCrystal1);
registerItem("MesoCrystal2", StandardSamples::MesoCrystal2);
-}
+ registerItem("FormFactor_Box", StandardSamples::FormFactor_Box);
+ registerItem("FormFactor_Cone", StandardSamples::FormFactor_Cone);
+ registerItem("FormFactor_Sphere", StandardSamples::FormFactor_Sphere);
+ registerItem("FormFactor_Ellipsoid", StandardSamples::FormFactor_Ellipsoid);
+ registerItem("FormFactor_FullSpheroid", StandardSamples::FormFactor_FullSpheroid);
+ registerItem("FormFactor_HemiSpheroid", StandardSamples::FormFactor_HemiSpheroid);
+ registerItem("FormFactor_Parallelpiped", StandardSamples::FormFactor_Parallelpiped);
+ registerItem("FormFactor_Cylinder", StandardSamples::FormFactor_Cylinder);
+ registerItem("FormFactor_Pyramid", StandardSamples::FormFactor_Pyramid);
+ registerItem("FormFactor_FullSphere", StandardSamples::FormFactor_FullSphere);
+ registerItem("FormFactor_Prism3", StandardSamples::FormFactor_Prism3);
+}
diff --git a/App/src/StandardSamples.cpp b/App/src/StandardSamples.cpp
index ab99100d650..76c08963070 100644
--- a/App/src/StandardSamples.cpp
+++ b/App/src/StandardSamples.cpp
@@ -21,6 +21,17 @@
#include "ParticleBuilder.h"
#include "StochasticSampledParameter.h"
#include "ParticleCoreShell.h"
+#include "FormFactorBox.h"
+#include "FormFactorCone.h"
+#include "FormFactorSphere.h"
+#include "FormFactorEllipsoid.h"
+#include "FormFactorFullSpheroid.h"
+#include "FormFactorHemiSpheroid.h"
+#include "FormFactorFullSphere.h"
+#include "FormFactorPrism3.h"
+
+#include "Particle.h"
+
/* ************************************************************************* */
@@ -728,3 +739,274 @@ ISample *StandardSamples::MesoCrystal2()
return p_multi_layer;
}
+
+/* ************************************************************************* */
+// functional test: Box
+/* ************************************************************************* */
+ISample *StandardSamples::FormFactor_Box()
+{
+ MultiLayer *p_multi_layer = new MultiLayer();
+ complex_t n_air(1.0, 0.0);
+ complex_t n_substrate(1.0-6e-6, 2e-8);
+ complex_t n_particle(1.0-6e-4, 2e-8);
+ const IMaterial *p_air_material = MaterialManager::instance().addHomogeneousMaterial("Air", n_air);
+ const IMaterial *p_substrate_material = MaterialManager::instance().addHomogeneousMaterial("Substrate", n_substrate);
+ Layer air_layer;
+ air_layer.setMaterial(p_air_material);
+ Layer substrate_layer;
+ substrate_layer.setMaterial(p_substrate_material);
+ ParticleDecoration particle_decoration(new Particle(n_particle, new FormFactorBox(5*Units::nanometer, 5*Units::nanometer, 5*Units::nanometer)));
+ particle_decoration.addInterferenceFunction(new InterferenceFunctionNone());
+ LayerDecorator air_layer_decorator(air_layer, particle_decoration);
+
+ p_multi_layer->addLayer(air_layer_decorator);
+ p_multi_layer->addLayer(substrate_layer);
+ return p_multi_layer;
+}
+
+/* ************************************************************************* */
+// functional test: Form Factor Cone
+/* ************************************************************************* */
+ISample *StandardSamples::FormFactor_Cone()
+{
+ MultiLayer *p_multi_layer = new MultiLayer();
+ complex_t n_air(1.0, 0.0);
+ complex_t n_substrate(1.0-6e-6, 2e-8);
+ complex_t n_particle(1.0-6e-4, 2e-8);
+ const IMaterial *p_air_material = MaterialManager::instance().addHomogeneousMaterial("Air", n_air);
+ const IMaterial *p_substrate_material = MaterialManager::instance().addHomogeneousMaterial("Substrate", n_substrate);
+ Layer air_layer;
+ air_layer.setMaterial(p_air_material);
+ Layer substrate_layer;
+ substrate_layer.setMaterial(p_substrate_material);
+ ParticleDecoration particle_decoration(new Particle(n_particle, new FormFactorCone(5*Units::nanometer, 5*Units::nanometer, Units::deg2rad(54.73 ))));
+ particle_decoration.addInterferenceFunction(new InterferenceFunctionNone());
+ LayerDecorator air_layer_decorator(air_layer, particle_decoration);
+
+ p_multi_layer->addLayer(air_layer_decorator);
+ p_multi_layer->addLayer(substrate_layer);
+ return p_multi_layer;
+}
+
+
+/* ************************************************************************* */
+// functional test: Form Factor Sphere
+/* ************************************************************************* */
+ISample *StandardSamples::FormFactor_Sphere()
+{
+ MultiLayer *p_multi_layer = new MultiLayer();
+ complex_t n_air(1.0, 0.0);
+ complex_t n_substrate(1.0-6e-6, 2e-8);
+ complex_t n_particle(1.0-6e-4, 2e-8);
+ const IMaterial *p_air_material = MaterialManager::instance().addHomogeneousMaterial("Air", n_air);
+ const IMaterial *p_substrate_material = MaterialManager::instance().addHomogeneousMaterial("Substrate", n_substrate);
+ Layer air_layer;
+ air_layer.setMaterial(p_air_material);
+ Layer substrate_layer;
+ substrate_layer.setMaterial(p_substrate_material);
+ ParticleDecoration particle_decoration(new Particle(n_particle, new FormFactorSphere(5*Units::nanometer, 5*Units::nanometer)));
+ particle_decoration.addInterferenceFunction(new InterferenceFunctionNone());
+ LayerDecorator air_layer_decorator(air_layer, particle_decoration);
+
+ p_multi_layer->addLayer(air_layer_decorator);
+ p_multi_layer->addLayer(substrate_layer);
+ return p_multi_layer;
+}
+
+/* ************************************************************************* */
+// functional test: Form Factor Ellipsoid
+/* ************************************************************************* */
+ISample *StandardSamples::FormFactor_Ellipsoid()
+{
+ MultiLayer *p_multi_layer = new MultiLayer();
+ complex_t n_air(1.0, 0.0);
+ complex_t n_substrate(1.0-6e-6, 2e-8);
+ complex_t n_particle(1.0-6e-4, 2e-8);
+ const IMaterial *p_air_material = MaterialManager::instance().addHomogeneousMaterial("Air", n_air);
+ const IMaterial *p_substrate_material = MaterialManager::instance().addHomogeneousMaterial("Substrate", n_substrate);
+ Layer air_layer;
+ air_layer.setMaterial(p_air_material);
+ Layer substrate_layer;
+ substrate_layer.setMaterial(p_substrate_material);
+ ParticleDecoration particle_decoration(new Particle(n_particle, new FormFactorEllipsoid(5*Units::nanometer, 5*Units::nanometer, 5*Units::nanometer, Units::deg2rad(54.73 ))));
+ particle_decoration.addInterferenceFunction(new InterferenceFunctionNone());
+ LayerDecorator air_layer_decorator(air_layer, particle_decoration);
+
+ p_multi_layer->addLayer(air_layer_decorator);
+ p_multi_layer->addLayer(substrate_layer);
+ return p_multi_layer;
+}
+
+
+/* ************************************************************************* */
+// functional test: Form Factor Full Spheroid
+/* ************************************************************************* */
+ISample *StandardSamples::FormFactor_FullSpheroid()
+{
+ MultiLayer *p_multi_layer = new MultiLayer();
+ complex_t n_air(1.0, 0.0);
+ complex_t n_substrate(1.0-6e-5, 2e-8);
+ complex_t n_particle(1.0-6e-4, 2e-8);
+ const IMaterial *p_air_material = MaterialManager::instance().addHomogeneousMaterial("Air", n_air);
+ const IMaterial *p_substrate_material = MaterialManager::instance().addHomogeneousMaterial("Substrate", n_substrate);
+ Layer air_layer;
+ air_layer.setMaterial(p_air_material);
+ Layer substrate_layer;
+ substrate_layer.setMaterial(p_substrate_material);
+ ParticleDecoration particle_decoration(new Particle(n_particle, new FormFactorFullSpheroid(5*Units::nanometer, 7*Units::nanometer )));
+ particle_decoration.addInterferenceFunction(new InterferenceFunctionNone());
+ LayerDecorator air_layer_decorator(air_layer, particle_decoration);
+
+ p_multi_layer->addLayer(air_layer_decorator);
+ p_multi_layer->addLayer(substrate_layer);
+ return p_multi_layer;
+}
+
+
+/* ************************************************************************* */
+// functional test: Form Factor Hemi Spheroid
+/* ************************************************************************* */
+ISample *StandardSamples::FormFactor_HemiSpheroid()
+{
+ MultiLayer *p_multi_layer = new MultiLayer();
+ complex_t n_air(1.0, 0.0);
+ complex_t n_substrate(1.0-6e-7, 2e-8);
+ complex_t n_particle(1.0-6e-5, 2e-8);
+ const IMaterial *p_air_material = MaterialManager::instance().addHomogeneousMaterial("Air", n_air);
+ const IMaterial *p_substrate_material = MaterialManager::instance().addHomogeneousMaterial("Substrate", n_substrate);
+ Layer air_layer;
+ air_layer.setMaterial(p_air_material);
+ Layer substrate_layer;
+ substrate_layer.setMaterial(p_substrate_material);
+ ParticleDecoration particle_decoration(new Particle(n_particle, new FormFactorHemiSpheroid(5*Units::nanometer, 4*Units::nanometer, 2*Units::nanometer)));
+ particle_decoration.addInterferenceFunction(new InterferenceFunctionNone());
+ LayerDecorator air_layer_decorator(air_layer, particle_decoration);
+
+ p_multi_layer->addLayer(air_layer_decorator);
+ p_multi_layer->addLayer(substrate_layer);
+ return p_multi_layer;
+}
+
+/* ************************************************************************* */
+// functional test: Form Factor parallelepiped
+/* ************************************************************************* */
+ISample *StandardSamples::FormFactor_Parallelpiped()
+{
+ MultiLayer *p_multi_layer = new MultiLayer();
+ complex_t n_air(1.0, 0.0);
+ complex_t n_particle_shell(1.0-1e-4, 2e-8);
+ complex_t n_particle_core(1.0-6e-5, 2e-8);
+ const IMaterial *p_air_material = MaterialManager::instance().addHomogeneousMaterial("Air11", n_air);
+ Layer air_layer;
+ air_layer.setMaterial(p_air_material);
+ Particle shell_particle(n_particle_shell, new FormFactorParallelepiped(8*Units::nanometer, 8*Units::nanometer));
+ Particle core_particle(n_particle_core, new FormFactorParallelepiped(7*Units::nanometer, 6*Units::nanometer));
+ kvector_t core_position(0.0, 0.0, 0.0);
+ ParticleCoreShell particle(shell_particle, core_particle, core_position);
+ ParticleDecoration particle_decoration(particle.clone());
+ particle_decoration.addInterferenceFunction(new InterferenceFunctionNone());
+ LayerDecorator air_layer_decorator(air_layer, particle_decoration);
+
+ p_multi_layer->addLayer(air_layer_decorator);
+ return p_multi_layer;
+}
+
+
+/* ************************************************************************* */
+// functional test: Form Factor Cylinder
+/* ************************************************************************* */
+ISample *StandardSamples::FormFactor_Cylinder()
+{
+ MultiLayer *p_multi_layer = new MultiLayer();
+ complex_t n_air(1.0, 0.0);
+ complex_t n_particle_shell(1.0-1e-4, 2e-8);
+ complex_t n_particle_core(1.0-6e-5, 2e-8);
+ const IMaterial *p_air_material = MaterialManager::instance().addHomogeneousMaterial("Air11", n_air);
+ Layer air_layer;
+ air_layer.setMaterial(p_air_material);
+ Particle shell_particle(n_particle_shell, new FormFactorCylinder(8*Units::nanometer, 8*Units::nanometer));
+ Particle core_particle(n_particle_core, new FormFactorCylinder(7*Units::nanometer, 6*Units::nanometer));
+ kvector_t core_position(0.0, 0.0, 0.0);
+ ParticleCoreShell particle(shell_particle, core_particle, core_position);
+ ParticleDecoration particle_decoration(particle.clone());
+ particle_decoration.addInterferenceFunction(new InterferenceFunctionNone());
+ LayerDecorator air_layer_decorator(air_layer, particle_decoration);
+
+ p_multi_layer->addLayer(air_layer_decorator);
+ return p_multi_layer;
+}
+
+/* ************************************************************************* */
+// Functional test: Pyramid
+/* ************************************************************************* */
+ISample *StandardSamples::FormFactor_Pyramid()
+{
+ MultiLayer *p_multi_layer = new MultiLayer();
+ complex_t n_air(1.0, 0.0);
+ complex_t n_substrate(1.0-6e-6, 2e-8);
+ complex_t n_particle(1.0-6e-4, 2e-8);
+ const IMaterial *p_air_material = MaterialManager::instance().addHomogeneousMaterial("Air", n_air);
+ const IMaterial *p_substrate_material = MaterialManager::instance().addHomogeneousMaterial("Substrate", n_substrate);
+ Layer air_layer;
+ air_layer.setMaterial(p_air_material);
+ Layer substrate_layer;
+ substrate_layer.setMaterial(p_substrate_material);
+ ParticleDecoration particle_decoration(
+ new Particle(n_particle, new FormFactorPyramid(5*Units::nanometer, 5*Units::nanometer, Units::deg2rad(54.73 ) ) ) );
+ particle_decoration.addInterferenceFunction(new InterferenceFunctionNone());
+ LayerDecorator air_layer_decorator(air_layer, particle_decoration);
+
+ p_multi_layer->addLayer(air_layer_decorator);
+ p_multi_layer->addLayer(substrate_layer);
+ return p_multi_layer;
+}
+
+
+/* ************************************************************************* */
+// functional test: Prism3
+/* ************************************************************************* */
+ISample *StandardSamples::FormFactor_Prism3()
+{
+ MultiLayer *p_multi_layer = new MultiLayer();
+ complex_t n_air(1.0, 0.0);
+ complex_t n_substrate(1.0-7e-6, 2e-8);
+ complex_t n_particle(1.0-8e-4, 2e-8);
+ const IMaterial *p_air_material = MaterialManager::instance().addHomogeneousMaterial("Air", n_air);
+ const IMaterial *p_substrate_material = MaterialManager::instance().addHomogeneousMaterial("Substrate", n_substrate);
+ Layer air_layer;
+ air_layer.setMaterial(p_air_material);
+ Layer substrate_layer;
+ substrate_layer.setMaterial(p_substrate_material);
+ ParticleDecoration particle_decoration(new Particle(n_particle, new FormFactorPrism3(5*Units::nanometer, 5*Units::nanometer)));
+ particle_decoration.addInterferenceFunction(new InterferenceFunctionNone());
+ LayerDecorator air_layer_decorator(air_layer, particle_decoration);
+
+ p_multi_layer->addLayer(air_layer_decorator);
+ p_multi_layer->addLayer(substrate_layer);
+ return p_multi_layer;
+}
+
+ /************************************************************************** */
+ // Functional test: Full Sphere
+ /************************************************************************** */
+ ISample *StandardSamples::FormFactor_FullSphere()
+ {
+ MultiLayer *p_multi_layer = new MultiLayer();
+ complex_t n_air(1.0, 0.0);
+ complex_t n_substrate(1.0-6e-6, 2e-8);
+ complex_t n_particle(1.0-6e-4, 2e-8);
+ const IMaterial *p_air_material = MaterialManager::instance().addHomogeneousMaterial("Air", n_air);
+ const IMaterial *p_substrate_material = MaterialManager::instance().addHomogeneousMaterial("Substrate", n_substrate);
+ Layer air_layer;
+ air_layer.setMaterial(p_air_material);
+ Layer substrate_layer;
+ substrate_layer.setMaterial(p_substrate_material);
+ ParticleDecoration particle_decoration(
+ new Particle(n_particle, new FormFactorFullSphere(5*Units::nanometer ) ) );
+ particle_decoration.addInterferenceFunction(new InterferenceFunctionNone());
+ LayerDecorator air_layer_decorator(air_layer, particle_decoration);
+
+ p_multi_layer->addLayer(air_layer_decorator);
+ p_multi_layer->addLayer(substrate_layer);
+ return p_multi_layer;
+ }
diff --git a/App/src/TestFormFactors.cpp b/App/src/TestFormFactors.cpp
new file mode 100644
index 00000000000..fa843c72e21
--- /dev/null
+++ b/App/src/TestFormFactors.cpp
@@ -0,0 +1,118 @@
+#include "TestFormFactors.h"
+#include "IsGISAXSTools.h"
+#include "Units.h"
+#include "Utils.h"
+#include "GISASExperiment.h"
+#include "MultiLayer.h"
+#include "SampleFactory.h"
+#include "DrawHelper.h"
+#include "TCanvas.h"
+
+
+void TestFormFactors::execute()
+{
+ MultiLayer *sample = dynamic_cast<MultiLayer *>(SampleFactory::instance().createItem("FormFactor_Box"));
+ GISASExperiment experiment(mp_options);
+ experiment.setSample(*sample);
+ experiment.setDetectorParameters(100, 0.0*Units::degree, 2.0*Units::degree, 100, 0.0*Units::degree, 2.0*Units::degree, true);
+ experiment.setBeamParameters(1.0*Units::angstrom, -0.2*Units::degree, 0.0*Units::degree);
+ experiment.runSimulation();
+ m_data_path = std::string(Utils::FileSystem::GetHomePath()+"./Examples/FormFactors/");
+ IsGISAXSTools::writeOutputDataToFile(*experiment.getOutputData(), Utils::FileSystem::GetHomePath()+"./Examples/FormFactors/this_Box.ima");
+
+ //Cone
+ sample = dynamic_cast<MultiLayer *>(SampleFactory::instance().createItem("FormFactor_Cone"));
+ experiment.setSample(*sample);
+ experiment.runSimulation();
+ IsGISAXSTools::writeOutputDataToFile(*experiment.getOutputData(), Utils::FileSystem::GetHomePath()+"./Examples/FormFactors/this_Cone.ima");
+
+ //Ellipsoid
+ sample = dynamic_cast<MultiLayer *>(SampleFactory::instance().createItem("FormFactor_Ellipsoid"));
+ experiment.setSample(*sample);
+ experiment.runSimulation();
+ IsGISAXSTools::writeOutputDataToFile(*experiment.getOutputData(), Utils::FileSystem::GetHomePath()+"./Examples/FormFactors/this_Ellipsoid.ima");
+
+ //Sphere
+ sample = dynamic_cast<MultiLayer *>(SampleFactory::instance().createItem("FormFactor_Sphere"));
+ experiment.setSample(*sample);
+ experiment.runSimulation();
+ IsGISAXSTools::writeOutputDataToFile(*experiment.getOutputData(), Utils::FileSystem::GetHomePath()+"./Examples/FormFactors/this_Sphere.ima");
+
+
+ //Full Spheroid
+ sample = dynamic_cast<MultiLayer *>(SampleFactory::instance().createItem("FormFactor_FullSpheroid"));
+ experiment.setSample(*sample);
+ experiment.runSimulation();
+ IsGISAXSTools::writeOutputDataToFile(*experiment.getOutputData(), Utils::FileSystem::GetHomePath()+"./Examples/FormFactors/this_FullSpheroid.ima");
+
+ //Hemi Spheroid
+ sample = dynamic_cast<MultiLayer *>(SampleFactory::instance().createItem("FormFactor_HemiSpheroid"));
+ experiment.setSample(*sample);
+ experiment.runSimulation();
+ IsGISAXSTools::writeOutputDataToFile(*experiment.getOutputData(), Utils::FileSystem::GetHomePath()+"./Examples/FormFactors/this_HemiSpheroid.ima");
+
+
+ //Pyramid
+ sample = dynamic_cast<MultiLayer *>(SampleFactory::instance().createItem("FormFactor_Pyramid"));
+ experiment.setSample(*sample);
+ experiment.runSimulation();
+ IsGISAXSTools::writeOutputDataToFile(*experiment.getOutputData(), Utils::FileSystem::GetHomePath()+"./Examples/FormFactors/this_Pyramid.ima");
+
+ //Cylinder
+ sample = dynamic_cast<MultiLayer *>(SampleFactory::instance().createItem("FormFactor_Cylinder"));
+ experiment.setSample(*sample);
+ experiment.runSimulation();
+ IsGISAXSTools::writeOutputDataToFile(*experiment.getOutputData(), Utils::FileSystem::GetHomePath()+"./Examples/FormFactors/this_Cylinder.ima");
+
+ //Full Sphere
+ sample = dynamic_cast<MultiLayer *>(SampleFactory::instance().createItem("FormFactor_FullSphere"));
+ experiment.setSample(*sample);
+ experiment.runSimulation();
+ IsGISAXSTools::writeOutputDataToFile(*experiment.getOutputData(), Utils::FileSystem::GetHomePath()+"./Examples/FormFactors/this_FullSphere.ima");
+
+
+ //Prism3
+ sample = dynamic_cast<MultiLayer *>(SampleFactory::instance().createItem("FormFactor_Prism3"));
+ experiment.setSample(*sample);
+ experiment.runSimulation();
+ IsGISAXSTools::writeOutputDataToFile(*experiment.getOutputData(), Utils::FileSystem::GetHomePath()+"./Examples/FormFactors/this_Prism3.ima");
+
+
+ //OutputData<double > *mp_intensity_output = experiment.getOutputDataClone();
+}
+
+
+
+
+void TestFormFactors::finalise()
+{
+ std::vector<std::string > this_files;
+ this_files.push_back(Utils::FileSystem::GetHomePath()+"./Examples/FormFactors/this_Box.ima");
+ this_files.push_back(Utils::FileSystem::GetHomePath()+"./Examples/FormFactors/this_Cone.ima");
+ this_files.push_back(Utils::FileSystem::GetHomePath()+"./Examples/FormFactors/this_Sphere.ima");
+ this_files.push_back(Utils::FileSystem::GetHomePath()+"./Examples/FormFactors/this_Ellipsoid.ima");
+ this_files.push_back(Utils::FileSystem::GetHomePath()+"./Examples/FormFactors/this_FullSpheroid.ima");
+ this_files.push_back(Utils::FileSystem::GetHomePath()+"./Examples/FormFactors/this_HemiSpheroid.ima");
+ this_files.push_back(Utils::FileSystem::GetHomePath()+"./Examples/FormFactors/this_Parallelpiped.ima");
+ this_files.push_back(Utils::FileSystem::GetHomePath()+"./Examples/FormFactors/this_Cylinder.ima");
+ this_files.push_back(Utils::FileSystem::GetHomePath()+"./Examples/FormFactors/this_Pyramid.ima");
+ this_files.push_back(Utils::FileSystem::GetHomePath()+"./Examples/FormFactors/this_FullSphere.ima");
+ this_files.push_back(Utils::FileSystem::GetHomePath()+"./Examples/FormFactors/this_Prism3.ima");
+
+ int ncomparison = this_files.size();
+ TCanvas *c1 = DrawHelper::instance().createAndRegisterCanvas("Form Factors", "TestFormFactors");
+ c1->Divide(4,5);
+
+ for(int i=0; i<ncomparison; i++) {
+ OutputData<double> *our_data = IsGISAXSTools::readOutputDataFromFile(this_files[i], 10);
+
+ IsGISAXSTools::setMinimum(1.);
+ // our calculations
+ c1->cd(i+1); gPad->SetLogz();
+ IsGISAXSTools::drawOutputDataInPad(*our_data, "CONT4 Z", "Our Form Factors");
+
+ IsGISAXSTools::resetMinimum(); IsGISAXSTools::resetMaximum();
+ delete our_data;
+ }
+ }
+
diff --git a/Core/Core.pro b/Core/Core.pro
index 37af6fc53a3..791e5a11fa5 100644
--- a/Core/Core.pro
+++ b/Core/Core.pro
@@ -5,7 +5,7 @@ TARGET = ScattCore
TEMPLATE = lib
CONFIG += plugin # to remove versions from file name
QT -= core gui
-CONFIG += BUILD_PYTHON_BOOST_MODULE # to generate python interface
+#CONFIG += BUILD_PYTHON_BOOST_MODULE # to generate python interface
# including common project properties
include($$PWD/../shared.pri)
@@ -124,7 +124,13 @@ SOURCES += \
PythonAPI/src/PythonListConverter.cpp \
PythonAPI/src/PythonModule.cpp \
PythonAPI/src/PythonPlusplusHelper.cpp \
- PythonAPI/src/PythonOutputData.cpp
+ PythonAPI/src/PythonOutputData.cpp \
+ FormFactors/src/FormFactorBox.cpp \
+ FormFactors/src/FormFactorEllipsoid.cpp \
+ FormFactors/src/FormFactorCone.cpp \
+ FormFactors/src/FormFactorHemiSpheroid.cpp \
+ FormFactors/src/FormFactorFullSpheroid.cpp \
+ FormFactors/src/FormFactorSphere.cpp
HEADERS += \
Algorithms/inc/Beam.h \
@@ -274,7 +280,13 @@ HEADERS += \
PythonAPI/inc/PythonOutputData.h \
PythonAPI/inc/PythonPlusplusHelper.h \
PythonAPI/inc/IPythonWrapper.h \
- Algorithms/inc/IIntensityFunction.h
+ Algorithms/inc/IIntensityFunction.h \
+ FormFactors/inc/FormFactorBox.h \
+ FormFactors/inc/FormFactorEllipsoid.h \
+ FormFactors/inc/FormFactorCone.h \
+ FormFactors/inc/FormFactorHemiSpheroid.h \
+ FormFactors/inc/FormFactorFullSpheroid.h \
+ FormFactors/inc/FormFactorSphere.h
INCLUDEPATH += ./Algorithms/inc ./FormFactors/inc ./Geometry/inc ./Samples/inc ./Tools/inc ./PythonAPI/inc
DEPENDPATH += ./Algorithms/inc ./FormFactors/inc ./Geometry/inc ./Samples/inc ./Tools/inc ./PythonAPI/inc
diff --git a/Core/FormFactors/inc/FormFactorBox.h b/Core/FormFactors/inc/FormFactorBox.h
new file mode 100644
index 00000000000..81fc8bde516
--- /dev/null
+++ b/Core/FormFactors/inc/FormFactorBox.h
@@ -0,0 +1,59 @@
+#ifndef FORMFACTORBOX_H
+#define FORMFACTORBOX_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 FormFactorBox.h
+//! @brief Definition of FormFactorBox class
+//! @author Scientific Computing Group at FRM II
+//! @date Oct 1, 2012
+
+#include "IFormFactor.h"
+#include "IStochasticParameter.h"
+
+class FormFactorBox : public IFormFactorBorn
+{
+public:
+ FormFactorBox( double radius, double width, double height);
+ ~FormFactorBox();
+ virtual FormFactorBox *clone() const;
+
+ virtual int getNumberOfStochasticParameters() const { return 2; }
+
+ //! return radius of Box
+ double getRadius() const { return m_radius; }
+
+ //! return width of Box
+ double getwidth() const { return m_width; }
+
+ virtual double getVolume() const {
+ return 4.0*m_height*m_radius*m_width;
+ }
+
+ virtual double getHeight() const { return m_height; }
+
+
+protected:
+ virtual complex_t evaluate_for_q(const cvector_t &q) const;
+
+private:
+
+ //! initialize pool parameters, i.e. register some of class members for later access via parameter pool
+ virtual void init_parameters();
+
+ //! print class
+ void print(std::ostream &ostr) const;
+
+ double m_radius;
+ double m_width;
+ double m_height;
+
+};
+
+#endif // FORMFACTORBOX_H
diff --git a/Core/FormFactors/inc/FormFactorCone.h b/Core/FormFactors/inc/FormFactorCone.h
new file mode 100644
index 00000000000..f89704747b2
--- /dev/null
+++ b/Core/FormFactors/inc/FormFactorCone.h
@@ -0,0 +1,71 @@
+#ifndef FORMFACTORCONE_H
+#define FORMFACTORCONE_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 FormFactorCone.h
+//! @brief Definition of FormFactorCone
+//! @author Scientific Computing Group at FRM II
+//! @date 03.07.2012
+
+#include "IFormFactor.h"
+#include "IStochasticParameter.h"
+//#include "ConeIntegralReal.h"
+
+//- -------------------------------------------------------------------
+//! @class FormFactorCone
+//! @brief Form factor of Cone
+//- -------------------------------------------------------------------
+class FormFactorCone : public IFormFactorBorn
+{
+public:
+ //! @brief Cone constructor
+ //! @param height of Conee
+ //! @param radius half of Cone's base
+ //! @param angle in radians between base and facet
+ FormFactorCone(double radius, double height, double alpha);
+
+
+// FormFactorCone(StochasticParameter<double> *p_height, StochasticParameter<double> *p_radius, StochasticParameter<double> *p_alpha);
+ ~FormFactorCone();
+ virtual FormFactorCone* clone() const;
+
+ virtual int getNumberOfStochasticParameters() const { return 3; }
+
+ virtual double getHeight() const { return m_height; }
+
+protected:
+ virtual complex_t evaluate_for_q (const cvector_t &q) const;
+
+private:
+ //! copy constructor and assignment operator are hidden since there is a clone method
+ FormFactorCone(const FormFactorCone &);
+ FormFactorCone &operator=(const FormFactorCone &);
+
+ // double ConeIntegral(double Z, void* params) const;
+ double evaluate_for_q_real() const;
+ complex_t evaluate_for_q_imag() const;
+ double ConeIntegralReal(double Z, void* params) const;
+ double ConeIntegralImaginary(double Z, void* params) const;
+
+
+ //! initialize pool parameters, i.e. register some of class members for later access via parameter pool
+ virtual void init_parameters();
+
+ //! print class
+ void print(std::ostream &ostr) const;
+
+ double m_radius;
+ double m_height;
+ double m_alpha;
+ mutable cvector_t m_q;
+
+};
+
+#endif // FORMFACTORCONE_H
diff --git a/Core/FormFactors/inc/FormFactorCylinder.h b/Core/FormFactors/inc/FormFactorCylinder.h
index a3e294af331..5ca5078625c 100644
--- a/Core/FormFactors/inc/FormFactorCylinder.h
+++ b/Core/FormFactors/inc/FormFactorCylinder.h
@@ -44,8 +44,6 @@ private:
//! print class
void print(std::ostream &ostr) const;
-// StochasticParameter<double> *mp_height;
-// StochasticParameter<double> *mp_radius;
double m_height;
double m_radius;
};
diff --git a/Core/FormFactors/inc/FormFactorEllipsoid.h b/Core/FormFactors/inc/FormFactorEllipsoid.h
new file mode 100644
index 00000000000..55ff171cd46
--- /dev/null
+++ b/Core/FormFactors/inc/FormFactorEllipsoid.h
@@ -0,0 +1,61 @@
+#ifndef FORMFACTORELLIPSOID_H
+#define FORMFACTORELLIPSOID_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 FormFactorEllipsoid.h
+//! @brief Definition of FormFactorEllipsoid class
+//! @author Scientific Computing Group at FRM II
+//! @date Oct 1, 2012
+
+#include "IFormFactor.h"
+#include "IStochasticParameter.h"
+
+class FormFactorEllipsoid : public IFormFactorBorn
+{
+public:
+ FormFactorEllipsoid( double radius, double width, double height, double alpha);
+ ~FormFactorEllipsoid();
+ virtual FormFactorEllipsoid *clone() const;
+
+ virtual int getNumberOfStochasticParameters() const { return 2; }
+
+ //! return radius of Ellipsoid
+ double getRadius() const { return m_radius; }
+
+ //! return width of Ellipsoid
+ double getwidth() const { return m_width; }
+
+ virtual double getVolume() const {
+ return 2.0*m_height*m_radius*m_width;
+ }
+
+ virtual double getHeight() const { return m_height; }
+
+
+protected:
+ virtual complex_t evaluate_for_q(const cvector_t &q) const;
+
+private:
+
+ //! initialize pool parameters, i.e. register some of class members for later access via parameter pool
+ virtual void init_parameters();
+
+ //! print class
+ void print(std::ostream &ostr) const;
+
+ double m_radius;
+ double m_width;
+ double m_height;
+ double m_alpha;
+
+};
+
+#endif // FORMFACTORELLIPSOID_H
diff --git a/Core/FormFactors/inc/FormFactorFullSphere.h b/Core/FormFactors/inc/FormFactorFullSphere.h
index 728077a7aba..d8f905c6fa4 100644
--- a/Core/FormFactors/inc/FormFactorFullSphere.h
+++ b/Core/FormFactors/inc/FormFactorFullSphere.h
@@ -21,7 +21,7 @@ class FormFactorFullSphere : public IFormFactorBorn
{
public:
FormFactorFullSphere(double radius);
-// FormFactorFullSphere(StochasticParameter<double> *p_radius);
+
~FormFactorFullSphere();
virtual FormFactorFullSphere *clone() const;
@@ -44,7 +44,7 @@ private:
void print(std::ostream &ostr) const;
double m_radius;
-// StochasticParameter<double> *mp_radius;
+
};
diff --git a/Core/FormFactors/inc/FormFactorFullSpheroid.h b/Core/FormFactors/inc/FormFactorFullSpheroid.h
new file mode 100644
index 00000000000..43d5cc60dc2
--- /dev/null
+++ b/Core/FormFactors/inc/FormFactorFullSpheroid.h
@@ -0,0 +1,61 @@
+#ifndef FORMFACTORFULLSPHEROID_H
+#define FORMFACTORFULLSPHEROID_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 FormFactorFullSpheroid.h
+//! @brief Definition of FormFactorFullSpheroid
+//! @author Scientific Computing Group at FRM II
+//! @date 01.05.2012
+
+#include "IFormFactor.h"
+#include "IStochasticParameter.h"
+
+
+class FormFactorFullSpheroid : public IFormFactorBorn
+{
+public:
+ FormFactorFullSpheroid(double radius, double height);
+ double FullSpheroidIntegral(double Z, void* params) const;
+// FormFactorFullSpheroid(StochasticParameter<double> *p_height, StochasticParameter<double> *p_radius);
+ ~FormFactorFullSpheroid();
+ virtual FormFactorFullSpheroid *clone() const;
+
+ virtual int getNumberOfStochasticParameters() const { return 2; }
+
+ virtual double getHeight() const { return m_height; }
+
+protected:
+ virtual complex_t evaluate_for_q(const cvector_t &q) const;
+
+private:
+ //! copy constructor and assignment operator are hidden since there is a clone method
+ FormFactorFullSpheroid(const FormFactorFullSpheroid &);
+ FormFactorFullSpheroid &operator=(const FormFactorFullSpheroid &);
+
+
+ double evaluate_for_q_real() const;
+ complex_t evaluate_for_q_imag() const;
+ double FullSpheroidIntegralReal(double Z, void* params) const;
+ double FullSpheroidIntegralImaginary(double Z, void* params) const;
+
+ //! initialize pool parameters, i.e. register some of class members for later access via parameter pool
+ virtual void init_parameters();
+
+ //! print class
+ void print(std::ostream &ostr) const;
+
+ double m_radius;
+ double m_height;
+ mutable cvector_t m_q;
+
+};
+
+
+#endif // FORMFACTORFULLSPHEROID_H
diff --git a/Core/FormFactors/inc/FormFactorHemiSpheroid.h b/Core/FormFactors/inc/FormFactorHemiSpheroid.h
new file mode 100644
index 00000000000..118d0571ead
--- /dev/null
+++ b/Core/FormFactors/inc/FormFactorHemiSpheroid.h
@@ -0,0 +1,69 @@
+#ifndef FORMFACTORHEMISPHEROID_H
+#define FORMFACTORHEMISPHEROID_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 FormFactorHemiSpheroid.h
+//! @brief Definition of FormFactorHemiSpheroid
+//! @author Scientific Computing Group at FRM II
+//! @date 03.07.2012
+
+#include "IFormFactor.h"
+#include "IStochasticParameter.h"
+
+//- -------------------------------------------------------------------
+//! @class FormFactorHemiSpheroid
+//! @brief Form factor of Cone
+//- -------------------------------------------------------------------
+class FormFactorHemiSpheroid : public IFormFactorBorn
+{
+public:
+ //! @brief Cone constructor
+ //! @param height of Conee
+ //! @param radius half of Cone's base
+ //! @param angle in radians between base and facet
+ FormFactorHemiSpheroid(double radius, double width, double height);
+ double HemiSpheroidIntegral(double Z, void* params) const;
+
+ ~FormFactorHemiSpheroid();
+ virtual FormFactorHemiSpheroid* clone() const;
+
+ virtual int getNumberOfStochasticParameters() const { return 3; }
+
+ virtual double getHeight() const { return m_height; }
+
+protected:
+ virtual complex_t evaluate_for_q (const cvector_t &q) const;
+
+private:
+ //! copy constructor and assignment operator are hidden since there is a clone method
+ FormFactorHemiSpheroid(const FormFactorHemiSpheroid &);
+ FormFactorHemiSpheroid &operator=(const FormFactorHemiSpheroid &);
+
+ double evaluate_for_q_real() const;
+ complex_t evaluate_for_q_imag() const;
+ double HemiSpheroidIntegralReal(double Z, void* params) const;
+
+ double HemiSpheroidIntegralImaginary(double Z, void* params) const;
+
+ //! initialize pool parameters, i.e. register some of class members for later access via parameter pool
+ virtual void init_parameters();
+
+ //! print class
+ void print(std::ostream &ostr) const;
+
+ double m_radius;
+ double m_width;
+ double m_height;
+ mutable cvector_t m_q;
+
+};
+
+
+#endif // FormFactorHemiSpheroid_H
diff --git a/Core/FormFactors/inc/FormFactorPrism3.h b/Core/FormFactors/inc/FormFactorPrism3.h
index a6c215cc9e9..caf0c7e7097 100644
--- a/Core/FormFactors/inc/FormFactorPrism3.h
+++ b/Core/FormFactors/inc/FormFactorPrism3.h
@@ -47,9 +47,7 @@ private:
double m_height;
double m_half_side;
-// StochasticParameter<double> *mp_height;
-// StochasticParameter<double> *mp_half_side;
- // Cached value of square root of 3
+
double m_root3;
};
diff --git a/Core/FormFactors/inc/FormFactorSphere.h b/Core/FormFactors/inc/FormFactorSphere.h
new file mode 100644
index 00000000000..75c684c23ee
--- /dev/null
+++ b/Core/FormFactors/inc/FormFactorSphere.h
@@ -0,0 +1,61 @@
+#ifndef FORMFACTORSPHERE_H
+#define FORMFACTORSPHERE_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 FormFactorSphere.h
+//! @brief Definition of FormFactorSphere
+//! @author Scientific Computing Group at FRM II
+//! @date 01.05.2012
+
+#include "IFormFactor.h"
+#include "IStochasticParameter.h"
+
+
+class FormFactorSphere : public IFormFactorBorn
+{
+public:
+ FormFactorSphere(double radius, double height);
+ double SphereIntegral(double Z, void* params) const;
+
+ ~FormFactorSphere();
+ virtual FormFactorSphere *clone() const;
+
+ virtual int getNumberOfStochasticParameters() const { return 2; }
+
+ virtual double getHeight() const { return m_height; }
+
+protected:
+ virtual complex_t evaluate_for_q(const cvector_t &q) const;
+
+private:
+ //! copy constructor and assignment operator are hidden since there is a clone method
+ FormFactorSphere(const FormFactorSphere &);
+ FormFactorSphere &operator=(const FormFactorSphere &);
+
+
+
+ double evaluate_for_q_real() const;
+ complex_t evaluate_for_q_imag() const;
+ double SphereIntegralImaginary(double Z, void* params) const;
+ double SphereIntegralReal(double Z, void* params) const;
+
+ //! initialize pool parameters, i.e. register some of class members for later access via parameter pool
+ virtual void init_parameters();
+
+ //! print class
+ void print(std::ostream &ostr) const;
+
+ double m_height;
+ double m_radius;
+ mutable cvector_t m_q;
+};
+
+
+#endif // FORMFACTORSPHERE_H
diff --git a/Core/FormFactors/src/FormFactorBox.cpp b/Core/FormFactors/src/FormFactorBox.cpp
new file mode 100644
index 00000000000..379f35e497d
--- /dev/null
+++ b/Core/FormFactors/src/FormFactorBox.cpp
@@ -0,0 +1,47 @@
+#include "FormFactorBox.h"
+#include "MathFunctions.h"
+
+FormFactorBox::FormFactorBox(double radius, double width, double height)
+
+ :m_radius(radius)
+ ,m_width(width)
+ ,m_height(height)
+{
+}
+
+FormFactorBox::~FormFactorBox()
+{
+}
+
+FormFactorBox* FormFactorBox::clone() const
+{
+ return new FormFactorBox(m_radius, m_width, m_height );
+}
+
+complex_t FormFactorBox::evaluate_for_q(const cvector_t& q) const
+{
+ complex_t qxR = q.x()*m_radius;
+ complex_t qyW = q.y()*m_width;
+ complex_t qzHdiv2 = q.z()*m_height/2.0;
+
+ complex_t phase_factor = std::exp(complex_t(0.0, 1.0)*qzHdiv2);
+ return getVolume() *phase_factor*MathFunctions::Sinc(qxR)*MathFunctions::Sinc(qyW)
+ *MathFunctions::Sinc(qzHdiv2);
+ }
+
+
+
+ void FormFactorBox::init_parameters()
+ {
+ getParameterPool()->clear();
+ getParameterPool()->registerParameter("radius", &m_radius);
+ getParameterPool()->registerParameter( "width", &m_width);
+ getParameterPool()->registerParameter("height", &m_height);
+
+ }
+
+ void FormFactorBox::print(std::ostream& ostr) const
+ {
+ ISample::print(ostr);
+ }
+
diff --git a/Core/FormFactors/src/FormFactorCone.cpp b/Core/FormFactors/src/FormFactorCone.cpp
new file mode 100644
index 00000000000..8ef09496259
--- /dev/null
+++ b/Core/FormFactors/src/FormFactorCone.cpp
@@ -0,0 +1,111 @@
+#include "FormFactorCone.h"
+#include "StochasticDiracDelta.h"
+#include "MathFunctions.h"
+#include "Numeric.h"
+#include "Units.h"
+#include "Exceptions.h"
+#include <iostream>
+#include "MemberFunctionIntegrator.h"
+
+FormFactorCone::FormFactorCone(double radius,double height,double alpha)
+{
+ setName("FormFactorCone");
+ m_radius = radius;
+ m_height = height;
+ m_alpha = alpha;
+ init_parameters();
+}
+
+
+FormFactorCone::~FormFactorCone()
+{
+}
+
+/* ************************************************************************* */
+// initialize pool parameters, i.e. register some of class members for later access via parameter pool
+/* ************************************************************************* */
+void FormFactorCone::init_parameters()
+{
+ getParameterPool()->clear();
+ getParameterPool()->registerParameter("radius", &m_radius);
+ getParameterPool()->registerParameter("height", &m_height);
+ getParameterPool()->registerParameter("alpha", &m_alpha);
+}
+
+
+FormFactorCone* FormFactorCone::clone() const
+{
+ FormFactorCone* ffCone = new FormFactorCone(m_radius, m_height, m_alpha);
+ return ffCone;
+}
+
+
+//********************Real Part of the Integral*********************************//
+double FormFactorCone::evaluate_for_q_real() const
+
+{
+ double H = m_height;
+ MemberFunctionIntegrator<FormFactorCone>::mem_function p_mf = &FormFactorCone::ConeIntegralReal;
+ MemberFunctionIntegrator<FormFactorCone> integrator(p_mf,this);
+ double RealRadial = integrator.integrate(0, H, (void *)0);
+ return RealRadial;
+ }
+
+
+ double FormFactorCone::ConeIntegralReal(double Z, void* params) const
+ {
+ (void)params;
+ complex_t qz = m_q.z();
+ complex_t qx = m_q.x();
+ complex_t qy = m_q.y();
+ double R = m_radius;
+ double tan_alpha = std::tan(m_alpha);
+ double Rz = R-(Z/tan_alpha);
+ double qrRz = std::abs(std::sqrt((qx)*(qx) + (qy)*(qy))*Rz);
+ double J1_qrRz_div_qrRz = std::abs(qrRz) > Numeric::double_epsilon ? MathFunctions::Bessel_J1(std::abs(qrRz))/qrRz : 0.5;
+ double exp_real = std::exp(complex_t(0.0, 1.0)*qz*Z).real();
+ return 2.0 * M_PI *Rz*Rz * J1_qrRz_div_qrRz * exp_real;
+ }
+
+
+ //*********************************Imaginary Part***************************//
+ complex_t FormFactorCone::evaluate_for_q_imag() const
+{
+ double H = m_height;
+ MemberFunctionIntegrator<FormFactorCone>::mem_function p_mf = &FormFactorCone::ConeIntegralImaginary;
+ MemberFunctionIntegrator<FormFactorCone> integrator(p_mf,this);
+ complex_t ImaginaryRadial = integrator.integrate(0, H, (void *)0);
+ return ImaginaryRadial;
+ }
+ double FormFactorCone::ConeIntegralImaginary(double Z, void* params) const
+ {
+ (void)params;
+ complex_t qz = m_q.z();
+ complex_t qx = m_q.x();
+ complex_t qy = m_q.y();
+
+ double R = m_radius;
+ double tan_alpha = std::tan(m_alpha);
+ double Rz = R-(Z/tan_alpha);
+ double qrRz = std::abs(std::sqrt((qx)*(qx) + (qy)*(qy))*Rz);
+ double J1_qrRz_div_qrRz = std::abs(qrRz) > Numeric::double_epsilon ? MathFunctions::Bessel_J1(std::abs(qrRz))/qrRz : 0.5;
+ double exp_imag = std::exp(complex_t(0.0, 1.0)*qz*Z).imag();
+ return 2.0 * M_PI *Rz*Rz * J1_qrRz_div_qrRz * exp_imag;
+ }
+
+
+ //***************************Sum of Two Integrals*****************************//
+ complex_t FormFactorCone::evaluate_for_q(const cvector_t &q) const
+
+ {
+ m_q = q;
+ return complex_t(0.0, 1.0)*evaluate_for_q_imag() + evaluate_for_q_real();
+ }
+
+
+
+ void FormFactorCone::print(std::ostream &ostr) const
+ {
+ ISample::print(ostr);
+ // ostr << " (height:"<< m_height << " radius:"<<m_radius << " " << "alpha: " << m_alpha << ")";
+ }
diff --git a/Core/FormFactors/src/FormFactorCylinder.cpp b/Core/FormFactors/src/FormFactorCylinder.cpp
index 69ddd7094bb..aa7548fed49 100644
--- a/Core/FormFactors/src/FormFactorCylinder.cpp
+++ b/Core/FormFactors/src/FormFactorCylinder.cpp
@@ -1,6 +1,5 @@
#include "FormFactorCylinder.h"
#include "StochasticDiracDelta.h"
-
#include "MathFunctions.h"
#include "Numeric.h"
@@ -10,20 +9,10 @@ FormFactorCylinder::FormFactorCylinder(double height, double radius)
m_height = height;
m_radius = radius;
init_parameters();
- // mp_height = new StochasticDiracDelta<double>(height);
- // mp_radius = new StochasticDiracDelta<double>(radius);
}
-//FormFactorCylinder::FormFactorCylinder(StochasticParameter<double> *p_height, StochasticParameter<double> *p_radius)
-// : mp_height(p_height)
-// , mp_radius(p_radius)
-//{
-//}
-
FormFactorCylinder::~FormFactorCylinder()
{
-// delete mp_height;
-// delete mp_radius;
}
@@ -41,13 +30,10 @@ void FormFactorCylinder::init_parameters()
FormFactorCylinder* FormFactorCylinder::clone() const
{
return new FormFactorCylinder(m_height, m_radius);
-// return new FormFactorCylinder(mp_height->clone(), mp_radius->clone());
}
complex_t FormFactorCylinder::evaluate_for_q(const cvector_t &q) const
{
-// double R = mp_radius->getCurrent();
-// double H = mp_height->getCurrent();
double R = m_radius;
double H = m_height;
@@ -66,5 +52,4 @@ complex_t FormFactorCylinder::evaluate_for_q(const cvector_t &q) const
void FormFactorCylinder::print(std::ostream &ostr) const
{
ISample::print(ostr);
-// ostr << " (height:"<<m_height << " radius:"<<m_radius << ")";
}
diff --git a/Core/FormFactors/src/FormFactorEllipsoid.cpp b/Core/FormFactors/src/FormFactorEllipsoid.cpp
new file mode 100644
index 00000000000..80b5ce08477
--- /dev/null
+++ b/Core/FormFactors/src/FormFactorEllipsoid.cpp
@@ -0,0 +1,52 @@
+#include "FormFactorEllipsoid.h"
+#include "MathFunctions.h"
+
+FormFactorEllipsoid::FormFactorEllipsoid(double radius, double width , double height , double alpha)
+{
+ setName("FormFactorPyramid");
+ m_height = height;
+ m_radius = radius;
+ m_width = width;
+ m_alpha = alpha;
+ init_parameters();
+}
+
+FormFactorEllipsoid::~FormFactorEllipsoid()
+{
+}
+
+FormFactorEllipsoid* FormFactorEllipsoid::clone() const
+{
+ return new FormFactorEllipsoid(m_radius, m_width, m_height, m_alpha );
+}
+
+complex_t FormFactorEllipsoid::evaluate_for_q(const cvector_t& q) const
+{
+ complex_t qxR = q.x()*m_radius;
+ complex_t qyW = q.y()*m_width;
+ complex_t qzHdiv2 = q.z()*m_height/2.0;
+
+ complex_t phase_factor = std::exp(complex_t(0.0, 1.0)*qzHdiv2);
+
+ complex_t gamma = std::sqrt((qxR)*(qxR) + (qyW)*(qyW));
+ complex_t J1_gamma_div_gamma = std::abs(gamma) > Numeric::double_epsilon ? MathFunctions::Bessel_J1(std::abs(gamma))/gamma: 0.5;
+
+ return M_PI * getVolume() * phase_factor * J1_gamma_div_gamma *MathFunctions::Sinc(qzHdiv2);
+}
+
+
+ void FormFactorEllipsoid::init_parameters()
+ {
+ getParameterPool()->clear();
+ getParameterPool()->registerParameter("radius", &m_radius);
+ getParameterPool()->registerParameter("width", &m_width);
+ getParameterPool()->registerParameter("height", &m_height);
+ getParameterPool()->registerParameter("alpha" , &m_alpha);
+ }
+
+ void FormFactorEllipsoid::print(std::ostream& ostr) const
+ {
+ ISample::print(ostr);
+ }
+
+
diff --git a/Core/FormFactors/src/FormFactorFullSphere.cpp b/Core/FormFactors/src/FormFactorFullSphere.cpp
index 150168d558d..2ccf8e5735b 100644
--- a/Core/FormFactors/src/FormFactorFullSphere.cpp
+++ b/Core/FormFactors/src/FormFactorFullSphere.cpp
@@ -10,17 +10,10 @@ FormFactorFullSphere::FormFactorFullSphere(double radius)
setName("FormFactorFullSphere");
m_radius = radius;
init_parameters();
-// mp_radius = new StochasticDiracDelta<double>(radius);
}
-//FormFactorFullSphere::FormFactorFullSphere(StochasticParameter<double> *p_radius)
-// : mp_radius(p_radius)
-//{
-//}
-
FormFactorFullSphere::~FormFactorFullSphere()
{
-// delete mp_radius;
}
/* ************************************************************************* */
@@ -36,12 +29,10 @@ void FormFactorFullSphere::init_parameters()
FormFactorFullSphere* FormFactorFullSphere::clone() const
{
return new FormFactorFullSphere(m_radius);
-// return new FormFactorFullSphere(mp_radius->clone());
}
complex_t FormFactorFullSphere::evaluate_for_q(const cvector_t &q) const
{
-// double R = mp_radius->getCurrent();
complex_t qz = q.z();
double R = m_radius;
diff --git a/Core/FormFactors/src/FormFactorFullSpheroid.cpp b/Core/FormFactors/src/FormFactorFullSpheroid.cpp
new file mode 100644
index 00000000000..531e84193d1
--- /dev/null
+++ b/Core/FormFactors/src/FormFactorFullSpheroid.cpp
@@ -0,0 +1,79 @@
+#include "FormFactorFullSpheroid.h"
+#include "StochasticDiracDelta.h"
+#include "MathFunctions.h"
+#include "Numeric.h"
+#include "MemberFunctionIntegrator.h"
+
+FormFactorFullSpheroid::FormFactorFullSpheroid(double radius, double height )
+{
+ setName("FormFactorFullSpheroid");
+ m_radius = radius;
+ m_height = height;
+ init_parameters();
+ }
+
+FormFactorFullSpheroid::~FormFactorFullSpheroid()
+{
+}
+
+/* ************************************************************************* */
+// initialize pool parameters, i.e. register some of class members for later access via parameter pool
+/* ************************************************************************* */
+void FormFactorFullSpheroid::init_parameters()
+{
+ getParameterPool()->clear();
+ getParameterPool()->registerParameter("radius", &m_radius);
+ getParameterPool()->registerParameter("height", &m_height);
+
+}
+
+FormFactorFullSpheroid* FormFactorFullSpheroid::clone() const
+{
+ FormFactorFullSpheroid* ffFullSpheroid = new FormFactorFullSpheroid(m_radius, m_height);
+ return ffFullSpheroid;
+}
+complex_t FormFactorFullSpheroid::evaluate_for_q(const cvector_t &q) const
+
+{
+ double H = m_height;
+ double R = m_radius;
+ m_q = q;
+
+ complex_t qz = m_q.z();
+ complex_t qzH_half = qz*H/2.0;
+ complex_t iqzH_half = complex_t(0.0, 1.0)*qzH_half;
+ complex_t a_part = std::exp(iqzH_half); //a_part
+
+
+ MemberFunctionIntegrator<FormFactorFullSpheroid>::mem_function p_mf = &FormFactorFullSpheroid::FullSpheroidIntegral;
+ MemberFunctionIntegrator<FormFactorFullSpheroid> integrator(p_mf,this);
+ double radial = integrator.integrate(0.0, H/2.0, (void *)0);
+ return a_part * radial;
+ }
+
+
+
+double FormFactorFullSpheroid::FullSpheroidIntegral(double Z, void* params) const
+{
+ (void)params;
+
+ double R = m_radius;
+ double H = m_height;
+ complex_t qz = m_q.z();
+ complex_t qx = m_q.x();
+ complex_t qy = m_q.y();
+
+ double Rz = std::abs(R* std::sqrt(1-((4*Z*Z)/(H*H))));
+ double qrRz = std::abs(std::sqrt((qx)*(qx) + (qy)*(qy))*Rz);
+
+ double J1_qrRz_div_qrRz = std::abs(qrRz) > Numeric::double_epsilon ? MathFunctions::Bessel_J1(std::abs(qrRz))/qrRz : 0.5;
+ return 4.0* M_PI *Rz*Rz* J1_qrRz_div_qrRz * std::cos(qz.real()*Z);
+
+ }
+/* ************************************************************************* */
+// print class
+/* ************************************************************************* */
+void FormFactorFullSpheroid::print(std::ostream &ostr) const
+{
+ ISample::print(ostr);
+}
diff --git a/Core/FormFactors/src/FormFactorHemiSpheroid.cpp b/Core/FormFactors/src/FormFactorHemiSpheroid.cpp
new file mode 100644
index 00000000000..e4db682235f
--- /dev/null
+++ b/Core/FormFactors/src/FormFactorHemiSpheroid.cpp
@@ -0,0 +1,119 @@
+#include "FormFactorHemiSpheroid.h"
+#include "StochasticDiracDelta.h"
+#include "MathFunctions.h"
+#include "Numeric.h"
+#include "Units.h"
+#include "Exceptions.h"
+#include <iostream>
+#include "MemberFunctionIntegrator.h"
+
+FormFactorHemiSpheroid::FormFactorHemiSpheroid(double radius, double width, double height)
+{
+ setName("FormFactorHemiSpheroid");
+ m_radius = radius;
+ m_width = width;
+ m_height = height;
+ init_parameters();
+}
+
+
+FormFactorHemiSpheroid::~FormFactorHemiSpheroid()
+{
+}
+
+/* ************************************************************************* */
+// initialize pool parameters, i.e. register some of class members for later access via parameter pool
+/* ************************************************************************* */
+void FormFactorHemiSpheroid::init_parameters()
+{
+ getParameterPool()->clear();
+ getParameterPool()->registerParameter("radius", &m_radius);
+ getParameterPool()->registerParameter("width", &m_width);
+ getParameterPool()->registerParameter("height", &m_height);
+}
+
+FormFactorHemiSpheroid* FormFactorHemiSpheroid::clone() const
+{
+ FormFactorHemiSpheroid* ffSpheroid = new FormFactorHemiSpheroid(m_radius, m_width, m_height);
+ return ffSpheroid;
+}
+
+
+//********************Real Part of the Integral*********************************/
+double FormFactorHemiSpheroid::evaluate_for_q_real() const
+
+{
+ double H = m_height;
+ MemberFunctionIntegrator<FormFactorHemiSpheroid>::mem_function p_mf = &FormFactorHemiSpheroid::HemiSpheroidIntegralReal;
+ MemberFunctionIntegrator<FormFactorHemiSpheroid> integrator(p_mf,this);
+ double RealRadial = integrator.integrate(0, H, (void *)0);
+ return RealRadial;
+ }
+
+ double FormFactorHemiSpheroid::HemiSpheroidIntegralReal(double Z, void* params) const
+ {
+
+ (void)params;
+ double R = m_radius;
+ double W = m_height;
+ double H = m_height;
+
+
+ complex_t qz = m_q.z();
+ complex_t qx = m_q.x();
+ complex_t qy = m_q.y();
+
+ double Wz = W * std::sqrt(1-((Z*Z)/(H*H)));
+ double Rz = R * std::sqrt(1-((Z*Z)/(H*H)));
+ double gamma = (std::sqrt ((( qx*Rz)*(qx*Rz)) + ((qy*Wz)*(qy*Wz)))).real();
+ double J1_gamma_div_gamma = std::abs(gamma) > Numeric::double_epsilon ? MathFunctions::Bessel_J1(std::abs(gamma))/gamma: 0.5;
+ double exp_real = std::exp(complex_t(0.0, 1.0)*qz*Z).real();
+ return Rz *Wz * J1_gamma_div_gamma * exp_real;
+
+ }
+
+
+ //*********************************Imaginary Part***************************//
+ complex_t FormFactorHemiSpheroid::evaluate_for_q_imag() const
+{
+ double H = m_height;
+ MemberFunctionIntegrator<FormFactorHemiSpheroid>::mem_function p_mf = &FormFactorHemiSpheroid::HemiSpheroidIntegralImaginary;
+ MemberFunctionIntegrator<FormFactorHemiSpheroid> integrator(p_mf,this);
+ double ImaginaryRadial = integrator.integrate(0, H, (void *)0);
+ return ImaginaryRadial;
+ }
+ double FormFactorHemiSpheroid::HemiSpheroidIntegralImaginary(double Z, void* params) const
+ {
+ (void)params;
+ double R = m_radius;
+ double W = m_height;
+ double H = m_height;
+
+
+ complex_t qx = m_q.x();
+ complex_t qy = m_q.y();
+ complex_t qz = m_q.z();
+
+ double Wz = W * std::sqrt(1-((Z*Z)/(H*H)));
+ double Rz = R * std::sqrt(1-((Z*Z)/(H*H)));
+ double gamma = (std::sqrt ((( qx*Rz)*(qx*Rz)) + ((qy*Wz)*(qy*Wz)))).real();
+ double J1_gamma_div_gamma = std::abs(gamma) > Numeric::double_epsilon ? MathFunctions::Bessel_J1(std::abs(gamma))/gamma: 0.5;
+ double exp_imag = std::exp(complex_t(0.0,-1.0)*qz*Z).imag();
+ return Rz *Wz * J1_gamma_div_gamma * exp_imag;
+ }
+
+
+ //***************************Sum of Two Integrals*****************************//
+ complex_t FormFactorHemiSpheroid::evaluate_for_q(const cvector_t &q) const
+
+ {
+ m_q = q;
+ return 2.0* M_PI* complex_t(0.0, 1.0)*evaluate_for_q_imag() + evaluate_for_q_real();
+ }
+
+
+
+ void FormFactorHemiSpheroid::print(std::ostream &ostr) const
+ {
+ ISample::print(ostr);
+ }
diff --git a/Core/FormFactors/src/FormFactorSphere.cpp b/Core/FormFactors/src/FormFactorSphere.cpp
new file mode 100644
index 00000000000..72d9d25ab9c
--- /dev/null
+++ b/Core/FormFactors/src/FormFactorSphere.cpp
@@ -0,0 +1,112 @@
+#include "FormFactorSphere.h"
+#include "StochasticDiracDelta.h"
+#include "Numeric.h"
+#include "MathFunctions.h"
+#include <cmath>
+#include "MemberFunctionIntegrator.h"
+
+FormFactorSphere::FormFactorSphere(double radius, double height)
+{
+ setName("FormFactorSphere");
+ m_radius = radius;
+ m_height = height,
+ init_parameters();
+}
+
+
+FormFactorSphere::~FormFactorSphere()
+{
+}
+
+/* ************************************************************************* */
+// initialize pool parameters, i.e. register some of class members for later access via parameter pool
+/* ************************************************************************* */
+void FormFactorSphere::init_parameters()
+{
+ getParameterPool()->clear();
+ getParameterPool()->registerParameter("radius", &m_radius);
+ getParameterPool()->registerParameter("height", &m_height);
+
+}
+
+FormFactorSphere* FormFactorSphere::clone() const
+{
+ FormFactorSphere* ffSphere = new FormFactorSphere(m_radius, m_height);
+ return ffSphere;
+}
+
+
+//********************Real Part of the Integral*********************************//
+double FormFactorSphere::evaluate_for_q_real() const
+
+{
+ double H = m_height;
+ MemberFunctionIntegrator<FormFactorSphere>::mem_function p_mf = &FormFactorSphere::SphereIntegralReal;
+ MemberFunctionIntegrator<FormFactorSphere> integrator(p_mf,this);
+ double RealRadial = integrator.integrate(0, H, (void *)0);
+ return RealRadial;
+ }
+
+
+ double FormFactorSphere::SphereIntegralReal(double Z, void* params) const
+ {
+ (void)params;
+ double R = m_radius;
+ complex_t qz = m_q.z();
+ complex_t qx = m_q.x();
+ complex_t qy = m_q.y();
+
+ double Rz = std::abs(std::sqrt((R*R)-(Z*Z)));
+ double qrRz = std::abs(std::sqrt((qx)*(qx) + (qy)*(qy))*Rz);
+ double J1_qrRz_div_qrRz = std::abs(qrRz) > Numeric::double_epsilon ? MathFunctions::Bessel_J1(std::abs(qrRz))/qrRz : 0.5;
+ double exp_real = std::exp(complex_t(0.0, 1.0)*qz*Z).real();
+ return 2.0*M_PI*Rz*Rz*J1_qrRz_div_qrRz * exp_real;
+ }
+
+
+ //*********************************Imaginary Part***************************//
+ complex_t FormFactorSphere::evaluate_for_q_imag() const
+{
+ double H = m_height;
+ MemberFunctionIntegrator<FormFactorSphere>::mem_function p_mf = &FormFactorSphere::SphereIntegralImaginary;
+ MemberFunctionIntegrator<FormFactorSphere> integrator(p_mf,this);
+ complex_t ImaginaryRadial = integrator.integrate(0, H, (void *)0);
+ return ImaginaryRadial;
+ }
+ double FormFactorSphere::SphereIntegralImaginary(double Z, void* params) const
+ {
+ (void)params;
+ double R = m_radius;
+ complex_t qz = m_q.z();
+ complex_t qx = m_q.x();
+ complex_t qy = m_q.y();
+
+ double Rz = std::abs(std::sqrt((R*R)-(Z*Z)));
+ double qrRz = std::abs(std::sqrt((qx)*(qx) + (qy)*(qy))*Rz);
+ double J1_qrRz_div_qrRz = std::abs(qrRz) > Numeric::double_epsilon ? MathFunctions::Bessel_J1(std::abs(qrRz))/qrRz : 0.5;
+ double exp_imag = std::exp(complex_t(0.0, 1.0)*qz*Z).imag();
+ return 2.0*M_PI*Rz*Rz*J1_qrRz_div_qrRz * exp_imag;
+ }
+
+
+ //***************************Sum of Two Integrals*****************************//
+ complex_t FormFactorSphere::evaluate_for_q(const cvector_t &q) const
+
+ {
+ m_q = q;
+ double H = m_height;
+ double R = m_radius;
+ complex_t qz = m_q.z();
+ double iqzHR = std::exp(complex_t(0.0, 1.0)*qz*(H-R)).real();
+
+ return complex_t(0.0, 1.0)*evaluate_for_q_imag() + evaluate_for_q_real() * iqzHR; //* a_part;
+ }
+
+
+
+ void FormFactorSphere::print(std::ostream &ostr) const
+ {
+ ISample::print(ostr);
+ // ostr << " (height:"<< m_height << " radius:"<<m_radius << " " << "alpha: " << m_alpha << ")";
+ }
+
diff --git a/shared.pri b/shared.pri
index 3b00e638fe7..3e117e18ca2 100644
--- a/shared.pri
+++ b/shared.pri
@@ -105,7 +105,7 @@ CONFIG(JCNS) {
QMAKE_CXXFLAGS_DEBUG += -fdiagnostics-show-option # to find out in gcc which option control warning
#QMAKE_CXXFLAGS_RELEASE += -O3 -ffast-math -msse3
QMAKE_CXXFLAGS_RELEASE -= -O2
-QMAKE_CXXFLAGS_RELEASE += -g -O3 -ffast-math
+QMAKE_CXXFLAGS_RELEASE += -g -O0 -ffast-math
# uncommenting line below produces non-stripped (very large) libraries
#QMAKE_STRIP=:
--
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