From cd4e04931a2ab43cdb0709a794a974962794cf62 Mon Sep 17 00:00:00 2001
From: Gennady Pospelov <g.pospelov@fz-juelich.de>
Date: Mon, 9 Dec 2013 16:33:08 +0100
Subject: [PATCH] MesoCrystal01 test cleanup
---
App/CMakeLists.txt | 17 +-
App/inc/StandardSamples.h | 28 +-
App/inc/TestIsGISAXS15.h | 49 -
App/src/ApplicationTestFactory.cpp | 6 -
App/src/SampleFactory.cpp | 28 +-
App/src/StandardSamples.cpp | 1080 ++++++++---------
App/src/TestFunctionalTests.cpp | 3 +-
App/src/TestIsGISAXS15.cpp | 55 -
App/src/TestMesoCrystal1.cpp | 6 +-
App/src/TestMiscellaneous.cpp | 2 +-
.../FunctionalTestRegistry.cpp | 22 +-
Core/StandardSamples/FunctionalTestRegistry.h | 4 +-
Core/StandardSamples/IFunctionalTest.cpp | 28 +-
Core/StandardSamples/IFunctionalTest.h | 13 +-
Core/StandardSamples/MesoCrystal01Builder.cpp | 2 +-
Core/StandardSamples/SampleBuilderFactory.cpp | 3 +-
Core/StandardSamples/SimulationRegistry.cpp | 4 +-
Core/StandardSamples/StandardSimulations.cpp | 8 +
.../{IsGISAXS082DDL.cpp => IsGISAXS08a.cpp} | 0
.../{IsGISAXS082DDL2.cpp => IsGISAXS08b.cpp} | 0
.../{IsGISAXS09P.cpp => IsGISAXS09a.cpp} | 0
.../{IsGISAXS09R.cpp => IsGISAXS09b.cpp} | 0
.../TestCore/IsGISAXS15/IsGISAXS15.cpp | 75 +-
.../TestCore/IsGISAXS15/IsGISAXS15.h | 31 -
.../TestCore/MesoCrystal1/MesoCrystal1.cpp | 80 +-
.../TestCore/MesoCrystal1/MesoCrystal1.h | 38 -
26 files changed, 656 insertions(+), 926 deletions(-)
delete mode 100644 App/inc/TestIsGISAXS15.h
delete mode 100644 App/src/TestIsGISAXS15.cpp
rename Tests/FunctionalTests/TestCore/IsGISAXS08a/{IsGISAXS082DDL.cpp => IsGISAXS08a.cpp} (100%)
rename Tests/FunctionalTests/TestCore/IsGISAXS08b/{IsGISAXS082DDL2.cpp => IsGISAXS08b.cpp} (100%)
rename Tests/FunctionalTests/TestCore/IsGISAXS09a/{IsGISAXS09P.cpp => IsGISAXS09a.cpp} (100%)
rename Tests/FunctionalTests/TestCore/IsGISAXS09b/{IsGISAXS09R.cpp => IsGISAXS09b.cpp} (100%)
delete mode 100644 Tests/FunctionalTests/TestCore/IsGISAXS15/IsGISAXS15.h
delete mode 100644 Tests/FunctionalTests/TestCore/MesoCrystal1/MesoCrystal1.h
diff --git a/App/CMakeLists.txt b/App/CMakeLists.txt
index 5114d9ebace..af0093f55ac 100644
--- a/App/CMakeLists.txt
+++ b/App/CMakeLists.txt
@@ -7,23 +7,16 @@ cmake_minimum_required(VERSION 2.8.3 FATAL_ERROR)
set(executable_name App)
# source files
-file(GLOB source_files
- "src/*.cpp"
- "${CMAKE_CURRENT_SOURCE_DIR}/../Tests/FunctionalTests/TestCore/IsGISAXS15/*.cpp"
-)
+file(GLOB source_files "src/*.cpp")
# to get rid from files generated via qmake compilation
-list(REMOVE_ITEM source_files ${CMAKE_CURRENT_SOURCE_DIR}/src/AppDict.cpp)
+#list(REMOVE_ITEM source_files ${CMAKE_CURRENT_SOURCE_DIR}/src/AppDict.cpp)
# include files
-file(GLOB include_files
- "inc/*.h"
- "${CMAKE_CURRENT_SOURCE_DIR}/../Tests/FunctionalTests/TestCore/IsGISAXS15/*.h"
-)
+file(GLOB include_files "inc/*.h")
include_directories(
${CMAKE_CURRENT_SOURCE_DIR}/inc
- ${CMAKE_CURRENT_SOURCE_DIR}/../Tests/FunctionalTests/TestCore/IsGISAXS15
)
if(MSVC)
@@ -32,7 +25,7 @@ if(MSVC)
endif()
# data files are required by App for comparison
-execute_process(COMMAND ${CMAKE_COMMAND} -E copy_directory ${CMAKE_SOURCE_DIR}/Tests/ReferenceData/IsGISAXS ${CMAKE_BINARY_DIR}/Tests/ReferenceData/IsGISAXS)
+#execute_process(COMMAND ${CMAKE_COMMAND} -E copy_directory ${CMAKE_SOURCE_DIR}/Tests/ReferenceData/IsGISAXS ${CMAKE_BINARY_DIR}/Tests/ReferenceData/IsGISAXS)
# dictionaries
ROOT_GENERATE_DICTIONARY(AppDict inc/DrawHelper.h inc/TreeEventStructure.h LINKDEF AppLinkDef.h)
@@ -56,7 +49,7 @@ target_link_libraries(${executable_name}
# --- Installation ---
install (TARGETS ${executable_name} DESTINATION ${destination_bin} COMPONENT Applications)
-install (DIRECTORY ${CMAKE_SOURCE_DIR}/Tests/ReferenceData/IsGISAXS DESTINATION Tests/ReferenceData COMPONENT Applications)
+#install (DIRECTORY ${CMAKE_SOURCE_DIR}/Tests/ReferenceData/IsGISAXS DESTINATION Tests/ReferenceData COMPONENT Applications)
# system libraries: ROOT installation
if(WIN32)
diff --git a/App/inc/StandardSamples.h b/App/inc/StandardSamples.h
index fc1d311e603..ff1d93dbc4a 100644
--- a/App/inc/StandardSamples.h
+++ b/App/inc/StandardSamples.h
@@ -32,20 +32,20 @@ ISample *MultilayerOffspecTestcase2a();
ISample *MultilayerOffspecTestcase2b();
ISample *MultilayerSpecularMagneticTestCase();
ISample *PolarizedDWBATestCase();
-ISample *IsGISAXS15_SSCA();
-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();
+//ISample *IsGISAXS15_SSCA();
+//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/TestIsGISAXS15.h b/App/inc/TestIsGISAXS15.h
deleted file mode 100644
index 2a810ce78f9..00000000000
--- a/App/inc/TestIsGISAXS15.h
+++ /dev/null
@@ -1,49 +0,0 @@
-// ************************************************************************** //
-//
-// BornAgain: simulate and fit scattering at grazing incidence
-//
-//! @file App/inc/TestIsGISAXS15.h
-//! @brief Defines class TestIsGISAXS15.
-//
-//! Homepage: apps.jcns.fz-juelich.de/BornAgain
-//! License: GNU General Public License v3 or higher (see COPYING)
-//! @copyright Forschungszentrum Jülich GmbH 2013
-//! @authors Scientific Computing Group at MLZ Garching
-//! @authors C. Durniak, G. Pospelov, W. Van Herck, J. Wuttke
-//
-// ************************************************************************** //
-
-#ifndef TESTISGISAXS15_H_
-#define TESTISGISAXS15_H_
-
-#include "IApplicationTest.h"
-
-//! IsGISAXS ex#15: Size-Spacing Correlation Approximation.
-
-class TestIsGISAXS15 : public IApplicationTest
-{
-public:
- TestIsGISAXS15();
- virtual ~TestIsGISAXS15(){}
-
- virtual void execute();
- virtual void finalise();
-private:
- // structure to hold info over several compare cases
- struct CompareStruct
- {
- CompareStruct(std::string _isginame,
- std::string _thisname,
- std::string _descr)
- : isginame(_isginame), thisname(_thisname), descr(_descr){}
- std::string isginame;
- std::string thisname;
- std::string descr;
- };
-
- std::string m_data_path;
-};
-
-#endif /* TESTISGISAXS15_H_ */
-
-
diff --git a/App/src/ApplicationTestFactory.cpp b/App/src/ApplicationTestFactory.cpp
index 62ab481f717..c546239146d 100644
--- a/App/src/ApplicationTestFactory.cpp
+++ b/App/src/ApplicationTestFactory.cpp
@@ -27,7 +27,6 @@
#include "TestFumiliLMA.h"
#include "TestIsGISAXS12.h"
#include "TestIsGISAXS13.h"
-#include "TestIsGISAXS15.h"
#include "TestIsGISAXS5.h"
#include "TestMesoCrystal1.h"
#include "TestMesoCrystal2.h"
@@ -167,11 +166,6 @@ void RegisterApplicationTests(ApplicationTestFactory *p_test_factory)
"isgisaxs13",
IFactoryCreateFunction<TestIsGISAXS13, IApplicationTest>,
"functional test: isgisaxs ex-13 (simulated annealing fit)");
- p_test_factory->registerItem(
- "isgisaxs15",
- IFactoryCreateFunction<TestIsGISAXS15, IApplicationTest>,
- "functional test: isgisaxs ex-15 (size-spacing correlation "
- "approximation)");
p_test_factory->registerItem(
"convolution",
IFactoryCreateFunction<TestConvolution, IApplicationTest>,
diff --git a/App/src/SampleFactory.cpp b/App/src/SampleFactory.cpp
index d8677bf404b..cb87348f79c 100644
--- a/App/src/SampleFactory.cpp
+++ b/App/src/SampleFactory.cpp
@@ -51,23 +51,23 @@ SampleFactory::SampleFactory()
StandardSamples::MultilayerSpecularMagneticTestCase);
// IsGISAXS15 example: Size-Spacing Correlation Approximation
- registerItem("IsGISAXS15_SSCA", StandardSamples::IsGISAXS15_SSCA);
+// registerItem("IsGISAXS15_SSCA", StandardSamples::IsGISAXS15_SSCA);
// mesocrystal's
- registerItem("MesoCrystal1", StandardSamples::MesoCrystal1);
- registerItem("MesoCrystal2", StandardSamples::MesoCrystal2);
+// 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_Parallelepiped", 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);
+// 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_Parallelepiped", 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 a49b1154989..bd5dfb1b7c0 100644
--- a/App/src/StandardSamples.cpp
+++ b/App/src/StandardSamples.cpp
@@ -257,549 +257,549 @@ ISample *StandardSamples::MultilayerOffspecTestcase2b()
//! IsGISAXS ex#15: Size-spacing correlation approximation.
-ISample *StandardSamples::IsGISAXS15_SSCA()
-{
- MultiLayer *p_multi_layer = new MultiLayer();
- complex_t n_air(1.0, 0.0);
- complex_t n_particle(1.0-6e-4, 2e-8);
- const IMaterial *p_air_material =
- MaterialManager::getHomogeneousMaterial("Air", n_air);
- const IMaterial *particle_material =
- MaterialManager::getHomogeneousMaterial("Particle", n_particle);
- Layer air_layer;
- air_layer.setMaterial(p_air_material);
- InterferenceFunction1DParaCrystal *p_interference_function =
- new InterferenceFunction1DParaCrystal
- (15.0*Units::nanometer,5*Units::nanometer, 1e3*Units::nanometer);
- p_interference_function->setKappa(4.02698);
- ParticleDecoration particle_decoration;
- Particle particle_prototype(particle_material, new FormFactorCylinder
- (5.0*Units::nanometer, 5.0*Units::nanometer));
- StochasticDoubleGaussian sg(5.0*Units::nanometer, 1.25*Units::nanometer);
- StochasticSampledParameter stochastic_radius(sg,30, 2);
- ParticleBuilder particle_builder;
- particle_builder.setPrototype
- (particle_prototype, "/Particle/FormFactorCylinder/radius",
- stochastic_radius);
- particle_builder.plantParticles(particle_decoration);
-
- // Set height of each particle to its radius (H/R fixed)
- ParameterPool *p_parameters = particle_decoration.createParameterTree();
- int nbr_replacements =
- p_parameters->fixRatioBetweenParameters("height", "radius", 1.0);
- std::cout << "Number of replacements: " << nbr_replacements << std::endl;
-
- particle_decoration.addInterferenceFunction(p_interference_function);
-
- air_layer.setDecoration(particle_decoration);
-
- p_multi_layer->addLayer(air_layer);
- return p_multi_layer;
-}
-
-//! First mesocrystal test.
-
-ISample *StandardSamples::MesoCrystal1()
-{
- // create mesocrystal
- double nanoparticle_radius = 6.1*Units::nanometer;
- Lattice lat = Lattice::createTrigonalLattice(
- nanoparticle_radius*2.0, nanoparticle_radius*2.0*2.3);
- kvector_t bas_a = lat.getBasisVectorA();
- kvector_t bas_b = lat.getBasisVectorB();
- kvector_t bas_c = lat.getBasisVectorC();
- complex_t n_particle(1.0-1.5e-5, 1.3e-6);
- const IMaterial *particle_material =
- MaterialManager::getHomogeneousMaterial("Particle", n_particle);
-
- Particle particle(particle_material,
- new FormFactorFullSphere(nanoparticle_radius));
- kvector_t position_0 = kvector_t(0.0, 0.0, 0.0);
- kvector_t position_1 = 1.0/3.0*(2.0*bas_a + bas_b + bas_c);
- kvector_t position_2 = 1.0/3.0*(bas_a + 2.0*bas_b + 2.0*bas_c);
- std::vector<kvector_t> pos_vector;
- pos_vector.push_back(position_0);
- pos_vector.push_back(position_1);
- pos_vector.push_back(position_2);
- LatticeBasis basis(particle, pos_vector);
- Crystal npc(basis, lat);
-
- MesoCrystal meso(npc.clone(), new FormFactorCylinder
- (0.2*Units::micrometer, 300*Units::nanometer));
- MesoCrystal meso2(npc.clone(), new FormFactorPyramid
- (0.2*Units::micrometer,
- 300*Units::nanometer,
- 84*Units::degree));
- MultiLayer *p_multi_layer = new MultiLayer();
- complex_t n_air(1.0, 0.0);
- complex_t n_substrate(1.0-3.5e-6, 7.8e-8);
-
- const IMaterial *p_air_material =
- MaterialManager::getHomogeneousMaterial("Air2", n_air);
- const IMaterial *p_substrate_material =
- MaterialManager::getHomogeneousMaterial("Substrate2", n_substrate);
- Layer air_layer;
- air_layer.setMaterial(p_air_material);
- Layer substrate_layer;
- substrate_layer.setMaterial(p_substrate_material);
- IInterferenceFunction *p_interference_function =
- new InterferenceFunction1DParaCrystal
- (800.0*Units::nanometer, 50*Units::nanometer, 1e7*Units::nanometer);
- ParticleDecoration particle_decoration;
- particle_decoration.addParticle(meso.clone(), 0.0, 0.5);
- particle_decoration.addParticle(meso2.clone(), 0.0, 0.5);
- particle_decoration.addInterferenceFunction(p_interference_function);
-
- air_layer.setDecoration(particle_decoration);
-
- p_multi_layer->addLayer(air_layer);
- p_multi_layer->addLayer(substrate_layer);
- return p_multi_layer;
-
-}
-
-//! Second mesocrystal test: Mesocrystal from TestMesocrystal to play with.
-
-ISample *StandardSamples::MesoCrystal2()
-{
- double meso_radius = 300*Units::nanometer;
- double surface_filling_ratio = 0.25;
- double surface_density = surface_filling_ratio/M_PI/meso_radius/meso_radius;
- complex_t n_particle(1.0-1.55e-5, 1.37e-6);
- complex_t avg_n_squared_meso = 0.7886*n_particle*n_particle + 0.2114;
- complex_t n_avg = std::sqrt(surface_filling_ratio*avg_n_squared_meso +
- 1.0 - surface_filling_ratio);
- complex_t n_particle_adapted =
- std::sqrt(n_avg*n_avg + n_particle*n_particle - 1.0);
-
- const IMaterial *particle_adapted_material =
- MaterialManager::getHomogeneousMaterial("Particle", n_particle_adapted);
-
-
- FormFactorCylinder ff_meso(0.2*Units::micrometer, meso_radius);
-
- // Create multilayer
- MultiLayer *p_multi_layer = new MultiLayer();
- complex_t n_air(1.0, 0.0);
- complex_t n_substrate(1.0-7.57e-6, 1.73e-7);
-
- const IMaterial *p_air_material =
- MaterialManager::getHomogeneousMaterial("Air", n_air);
- const IMaterial *p_average_layer_material =
- MaterialManager::getHomogeneousMaterial("Averagelayer", n_avg);
- const IMaterial *p_substrate_material =
- MaterialManager::getHomogeneousMaterial("Substrate", n_substrate);
- Layer air_layer;
- air_layer.setMaterial(p_air_material);
- Layer avg_layer;
- avg_layer.setMaterial(p_average_layer_material);
- avg_layer.setThickness(0.2*Units::micrometer);
- Layer substrate_layer;
- substrate_layer.setMaterial(p_substrate_material);
- IInterferenceFunction *p_interference_function =
- new InterferenceFunctionNone();
- ParticleDecoration particle_decoration;
- double nanoparticle_radius = 5.4*Units::nanometer;
- const IFormFactor* p_meso_form_factor =& ff_meso;
- Lattice lat = Lattice::createTrigonalLattice
- (nanoparticle_radius*2.0, nanoparticle_radius*2.0*2.3);
- kvector_t bas_a = lat.getBasisVectorA();
- kvector_t bas_b = lat.getBasisVectorB();
- kvector_t bas_c = lat.getBasisVectorC();
- Particle particle(particle_adapted_material,
- new FormFactorFullSphere(nanoparticle_radius));
- kvector_t position_0 = kvector_t(0.0, 0.0, 0.0);
- kvector_t position_1 = 1.0/3.0*(2.0*bas_a + bas_b + bas_c);
- kvector_t position_2 = 1.0/3.0*(bas_a + 2.0*bas_b + 2.0*bas_c);
- std::vector<kvector_t> pos_vector;
- pos_vector.push_back(position_0);
- pos_vector.push_back(position_1);
- pos_vector.push_back(position_2);
- LatticeBasis basis(particle, pos_vector);
- Crystal npc(basis, lat);
- MesoCrystal *meso_crystal =
- new MesoCrystal(npc.clone(), p_meso_form_factor->clone());
- particle_decoration.addParticle(meso_crystal, 0.2*Units::micrometer);
- particle_decoration.setTotalParticleSurfaceDensity(surface_density);
- particle_decoration.addInterferenceFunction(p_interference_function);
-
- avg_layer.setDecoration(particle_decoration);
-
- p_multi_layer->addLayer(air_layer);
- p_multi_layer->addLayer(avg_layer);
- p_multi_layer->addLayer(substrate_layer);
- return p_multi_layer;
-
-}
+//ISample *StandardSamples::IsGISAXS15_SSCA()
+//{
+// MultiLayer *p_multi_layer = new MultiLayer();
+// complex_t n_air(1.0, 0.0);
+// complex_t n_particle(1.0-6e-4, 2e-8);
+// const IMaterial *p_air_material =
+// MaterialManager::getHomogeneousMaterial("Air", n_air);
+// const IMaterial *particle_material =
+// MaterialManager::getHomogeneousMaterial("Particle", n_particle);
+// Layer air_layer;
+// air_layer.setMaterial(p_air_material);
+// InterferenceFunction1DParaCrystal *p_interference_function =
+// new InterferenceFunction1DParaCrystal
+// (15.0*Units::nanometer,5*Units::nanometer, 1e3*Units::nanometer);
+// p_interference_function->setKappa(4.02698);
+// ParticleDecoration particle_decoration;
+// Particle particle_prototype(particle_material, new FormFactorCylinder
+// (5.0*Units::nanometer, 5.0*Units::nanometer));
+// StochasticDoubleGaussian sg(5.0*Units::nanometer, 1.25*Units::nanometer);
+// StochasticSampledParameter stochastic_radius(sg,30, 2);
+// ParticleBuilder particle_builder;
+// particle_builder.setPrototype
+// (particle_prototype, "/Particle/FormFactorCylinder/radius",
+// stochastic_radius);
+// particle_builder.plantParticles(particle_decoration);
+
+// // Set height of each particle to its radius (H/R fixed)
+// ParameterPool *p_parameters = particle_decoration.createParameterTree();
+// int nbr_replacements =
+// p_parameters->fixRatioBetweenParameters("height", "radius", 1.0);
+// std::cout << "Number of replacements: " << nbr_replacements << std::endl;
+
+// particle_decoration.addInterferenceFunction(p_interference_function);
+
+// air_layer.setDecoration(particle_decoration);
+
+// p_multi_layer->addLayer(air_layer);
+// return p_multi_layer;
+//}
+
+////! First mesocrystal test.
+
+//ISample *StandardSamples::MesoCrystal1()
+//{
+// // create mesocrystal
+// double nanoparticle_radius = 6.1*Units::nanometer;
+// Lattice lat = Lattice::createTrigonalLattice(
+// nanoparticle_radius*2.0, nanoparticle_radius*2.0*2.3);
+// kvector_t bas_a = lat.getBasisVectorA();
+// kvector_t bas_b = lat.getBasisVectorB();
+// kvector_t bas_c = lat.getBasisVectorC();
+// complex_t n_particle(1.0-1.5e-5, 1.3e-6);
+// const IMaterial *particle_material =
+// MaterialManager::getHomogeneousMaterial("Particle", n_particle);
+
+// Particle particle(particle_material,
+// new FormFactorFullSphere(nanoparticle_radius));
+// kvector_t position_0 = kvector_t(0.0, 0.0, 0.0);
+// kvector_t position_1 = 1.0/3.0*(2.0*bas_a + bas_b + bas_c);
+// kvector_t position_2 = 1.0/3.0*(bas_a + 2.0*bas_b + 2.0*bas_c);
+// std::vector<kvector_t> pos_vector;
+// pos_vector.push_back(position_0);
+// pos_vector.push_back(position_1);
+// pos_vector.push_back(position_2);
+// LatticeBasis basis(particle, pos_vector);
+// Crystal npc(basis, lat);
+
+// MesoCrystal meso(npc.clone(), new FormFactorCylinder
+// (0.2*Units::micrometer, 300*Units::nanometer));
+// MesoCrystal meso2(npc.clone(), new FormFactorPyramid
+// (0.2*Units::micrometer,
+// 300*Units::nanometer,
+// 84*Units::degree));
+// MultiLayer *p_multi_layer = new MultiLayer();
+// complex_t n_air(1.0, 0.0);
+// complex_t n_substrate(1.0-3.5e-6, 7.8e-8);
+
+// const IMaterial *p_air_material =
+// MaterialManager::getHomogeneousMaterial("Air2", n_air);
+// const IMaterial *p_substrate_material =
+// MaterialManager::getHomogeneousMaterial("Substrate2", n_substrate);
+// Layer air_layer;
+// air_layer.setMaterial(p_air_material);
+// Layer substrate_layer;
+// substrate_layer.setMaterial(p_substrate_material);
+// IInterferenceFunction *p_interference_function =
+// new InterferenceFunction1DParaCrystal
+// (800.0*Units::nanometer, 50*Units::nanometer, 1e7*Units::nanometer);
+// ParticleDecoration particle_decoration;
+// particle_decoration.addParticle(meso.clone(), 0.0, 0.5);
+// particle_decoration.addParticle(meso2.clone(), 0.0, 0.5);
+// particle_decoration.addInterferenceFunction(p_interference_function);
+
+// air_layer.setDecoration(particle_decoration);
+
+// p_multi_layer->addLayer(air_layer);
+// p_multi_layer->addLayer(substrate_layer);
+// return p_multi_layer;
+
+//}
+
+////! Second mesocrystal test: Mesocrystal from TestMesocrystal to play with.
+
+//ISample *StandardSamples::MesoCrystal2()
+//{
+// double meso_radius = 300*Units::nanometer;
+// double surface_filling_ratio = 0.25;
+// double surface_density = surface_filling_ratio/M_PI/meso_radius/meso_radius;
+// complex_t n_particle(1.0-1.55e-5, 1.37e-6);
+// complex_t avg_n_squared_meso = 0.7886*n_particle*n_particle + 0.2114;
+// complex_t n_avg = std::sqrt(surface_filling_ratio*avg_n_squared_meso +
+// 1.0 - surface_filling_ratio);
+// complex_t n_particle_adapted =
+// std::sqrt(n_avg*n_avg + n_particle*n_particle - 1.0);
+
+// const IMaterial *particle_adapted_material =
+// MaterialManager::getHomogeneousMaterial("Particle", n_particle_adapted);
+
+
+// FormFactorCylinder ff_meso(0.2*Units::micrometer, meso_radius);
+
+// // Create multilayer
+// MultiLayer *p_multi_layer = new MultiLayer();
+// complex_t n_air(1.0, 0.0);
+// complex_t n_substrate(1.0-7.57e-6, 1.73e-7);
+
+// const IMaterial *p_air_material =
+// MaterialManager::getHomogeneousMaterial("Air", n_air);
+// const IMaterial *p_average_layer_material =
+// MaterialManager::getHomogeneousMaterial("Averagelayer", n_avg);
+// const IMaterial *p_substrate_material =
+// MaterialManager::getHomogeneousMaterial("Substrate", n_substrate);
+// Layer air_layer;
+// air_layer.setMaterial(p_air_material);
+// Layer avg_layer;
+// avg_layer.setMaterial(p_average_layer_material);
+// avg_layer.setThickness(0.2*Units::micrometer);
+// Layer substrate_layer;
+// substrate_layer.setMaterial(p_substrate_material);
+// IInterferenceFunction *p_interference_function =
+// new InterferenceFunctionNone();
+// ParticleDecoration particle_decoration;
+// double nanoparticle_radius = 5.4*Units::nanometer;
+// const IFormFactor* p_meso_form_factor =& ff_meso;
+// Lattice lat = Lattice::createTrigonalLattice
+// (nanoparticle_radius*2.0, nanoparticle_radius*2.0*2.3);
+// kvector_t bas_a = lat.getBasisVectorA();
+// kvector_t bas_b = lat.getBasisVectorB();
+// kvector_t bas_c = lat.getBasisVectorC();
+// Particle particle(particle_adapted_material,
+// new FormFactorFullSphere(nanoparticle_radius));
+// kvector_t position_0 = kvector_t(0.0, 0.0, 0.0);
+// kvector_t position_1 = 1.0/3.0*(2.0*bas_a + bas_b + bas_c);
+// kvector_t position_2 = 1.0/3.0*(bas_a + 2.0*bas_b + 2.0*bas_c);
+// std::vector<kvector_t> pos_vector;
+// pos_vector.push_back(position_0);
+// pos_vector.push_back(position_1);
+// pos_vector.push_back(position_2);
+// LatticeBasis basis(particle, pos_vector);
+// Crystal npc(basis, lat);
+// MesoCrystal *meso_crystal =
+// new MesoCrystal(npc.clone(), p_meso_form_factor->clone());
+// particle_decoration.addParticle(meso_crystal, 0.2*Units::micrometer);
+// particle_decoration.setTotalParticleSurfaceDensity(surface_density);
+// particle_decoration.addInterferenceFunction(p_interference_function);
+
+// avg_layer.setDecoration(particle_decoration);
+
+// p_multi_layer->addLayer(air_layer);
+// p_multi_layer->addLayer(avg_layer);
+// p_multi_layer->addLayer(substrate_layer);
+// return p_multi_layer;
+
+//}
//! Functional test: Formfactor of a 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::getHomogeneousMaterial("Air", n_air);
- const IMaterial *p_substrate_material =
- MaterialManager::getHomogeneousMaterial("Substrate", n_substrate);
- const IMaterial *particle_material =
- MaterialManager::getHomogeneousMaterial("Particle", n_particle);
-
- Layer air_layer;
- air_layer.setMaterial(p_air_material);
- Layer substrate_layer;
- substrate_layer.setMaterial(p_substrate_material);
- ParticleDecoration particle_decoration
- (new Particle(particle_material,
- new FormFactorBox(5*Units::nanometer,
- 5*Units::nanometer,
- 5*Units::nanometer)));
- particle_decoration.addInterferenceFunction
- (new InterferenceFunctionNone());
-
- air_layer.setDecoration(particle_decoration);
-
- p_multi_layer->addLayer(air_layer);
- p_multi_layer->addLayer(substrate_layer);
- return p_multi_layer;
-}
-
-//! Functional test: Formfactor of a 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::getHomogeneousMaterial("Air", n_air);
- const IMaterial *p_substrate_material =
- MaterialManager::getHomogeneousMaterial("Substrate", n_substrate);
- const IMaterial *particle_material =
- MaterialManager::getHomogeneousMaterial("Particle", n_particle);
- Layer air_layer;
- air_layer.setMaterial(p_air_material);
- Layer substrate_layer;
- substrate_layer.setMaterial(p_substrate_material);
- ParticleDecoration particle_decoration
- (new Particle(particle_material,
- new FormFactorCone(5*Units::nanometer,
- 5*Units::nanometer,
- Units::deg2rad(54.73 ))));
- particle_decoration.addInterferenceFunction
- (new InterferenceFunctionNone());
-
- air_layer.setDecoration(particle_decoration);
-
- p_multi_layer->addLayer(air_layer);
- p_multi_layer->addLayer(substrate_layer);
- return p_multi_layer;
-}
-
-//! Functional test: Formfactor of a 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::getHomogeneousMaterial("Air", n_air);
- const IMaterial *p_substrate_material =
- MaterialManager::getHomogeneousMaterial("Substrate", n_substrate);
- const IMaterial *particle_material =
- MaterialManager::getHomogeneousMaterial("Particle", n_particle);
-
- Layer air_layer;
- air_layer.setMaterial(p_air_material);
- Layer substrate_layer;
- substrate_layer.setMaterial(p_substrate_material);
- ParticleDecoration particle_decoration
- (new Particle(particle_material,
- new FormFactorSphere(5*Units::nanometer,
- 5*Units::nanometer)));
- particle_decoration.addInterferenceFunction
-(new InterferenceFunctionNone());
-
- air_layer.setDecoration(particle_decoration);
-
- p_multi_layer->addLayer(air_layer);
- p_multi_layer->addLayer(substrate_layer);
- return p_multi_layer;
-}
-
-// Functional test: Formfactor of an 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::getHomogeneousMaterial("Air", n_air);
- const IMaterial *p_substrate_material =
- MaterialManager::getHomogeneousMaterial("Substrate", n_substrate);
- const IMaterial *particle_material =
- MaterialManager::getHomogeneousMaterial("Particle", n_particle);
- Layer air_layer;
- air_layer.setMaterial(p_air_material);
- Layer substrate_layer;
- substrate_layer.setMaterial(p_substrate_material);
- ParticleDecoration particle_decoration
- (new Particle(particle_material,
- new FormFactorEllipsoid(5*Units::nanometer,
- 5*Units::nanometer,
- 5*Units::nanometer,
- Units::deg2rad(54.73 ))));
- particle_decoration.addInterferenceFunction
- (new InterferenceFunctionNone());
-
- air_layer.setDecoration(particle_decoration);
-
- p_multi_layer->addLayer(air_layer);
- p_multi_layer->addLayer(substrate_layer);
- return p_multi_layer;
-}
-
-//! Functional test: Formfactor of a 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::getHomogeneousMaterial("Air", n_air);
- const IMaterial *p_substrate_material =
- MaterialManager::getHomogeneousMaterial("Substrate", n_substrate);
- const IMaterial *particle_material =
- MaterialManager::getHomogeneousMaterial("Particle", n_particle);
- Layer air_layer;
- air_layer.setMaterial(p_air_material);
- Layer substrate_layer;
- substrate_layer.setMaterial(p_substrate_material);
- ParticleDecoration particle_decoration
- (new Particle(particle_material,
- new FormFactorFullSpheroid(5*Units::nanometer,
- 7*Units::nanometer )));
- particle_decoration.addInterferenceFunction
- (new InterferenceFunctionNone());
-
- air_layer.setDecoration(particle_decoration);
-
- p_multi_layer->addLayer(air_layer);
- p_multi_layer->addLayer(substrate_layer);
- return p_multi_layer;
-}
-
-//! Functional test: Formfactor of a 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::getHomogeneousMaterial("Air", n_air);
- const IMaterial *p_substrate_material =
- MaterialManager::getHomogeneousMaterial("Substrate", n_substrate);
- const IMaterial *particle_material =
- MaterialManager::getHomogeneousMaterial("Particle", n_particle);
-
- Layer air_layer;
- air_layer.setMaterial(p_air_material);
- Layer substrate_layer;
- substrate_layer.setMaterial(p_substrate_material);
- ParticleDecoration particle_decoration
- (new Particle(particle_material,
- new FormFactorHemiSpheroid(5*Units::nanometer,
- 4*Units::nanometer,
- 2*Units::nanometer)));
- particle_decoration.addInterferenceFunction
- (new InterferenceFunctionNone());
-
- air_layer.setDecoration(particle_decoration);
-
- p_multi_layer->addLayer(air_layer);
- p_multi_layer->addLayer(substrate_layer);
- return p_multi_layer;
-}
-
-//! Functional test: Formfactor of a 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::getHomogeneousMaterial("Air11", n_air);
-
- const IMaterial *shell_material =
- MaterialManager::getHomogeneousMaterial("Shell", n_particle_shell);
- const IMaterial *core_material =
- MaterialManager::getHomogeneousMaterial("Core", n_particle_core);
-
- Layer air_layer;
- air_layer.setMaterial(p_air_material);
- Particle shell_particle(shell_material,
- new FormFactorParallelepiped(8*Units::nanometer,
- 8*Units::nanometer));
- Particle core_particle(core_material,
- 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());
-
- air_layer.setDecoration(particle_decoration);
-
- p_multi_layer->addLayer(air_layer);
- return p_multi_layer;
-}
-
-//! Functional test: Formfactor of a 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::getHomogeneousMaterial("Air11", n_air);
- const IMaterial *shell_material =
- MaterialManager::getHomogeneousMaterial("Shell", n_particle_shell);
- const IMaterial *core_material =
- MaterialManager::getHomogeneousMaterial("Core", n_particle_core);
-
- Layer air_layer;
- air_layer.setMaterial(p_air_material);
- Particle shell_particle(shell_material,
- new FormFactorCylinder(8*Units::nanometer,
- 8*Units::nanometer));
- Particle core_particle(core_material,
- 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());
-
- air_layer.setDecoration(particle_decoration);
-
-
- p_multi_layer->addLayer(air_layer);
- return p_multi_layer;
-}
-
-//! Functional test: Formfactor of a 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::getHomogeneousMaterial("Air", n_air);
- const IMaterial *p_substrate_material =
- MaterialManager::getHomogeneousMaterial("Substrate", n_substrate);
- const IMaterial *particle_material =
- MaterialManager::getHomogeneousMaterial("Particle", n_particle);
-
- Layer air_layer;
- air_layer.setMaterial(p_air_material);
- Layer substrate_layer;
- substrate_layer.setMaterial(p_substrate_material);
- ParticleDecoration particle_decoration
- (new Particle(particle_material,
- new FormFactorPyramid(5*Units::nanometer,
- 5*Units::nanometer,
- Units::deg2rad(54.73 ) ) ) );
- particle_decoration.addInterferenceFunction
- (new InterferenceFunctionNone());
-
- air_layer.setDecoration(particle_decoration);
-
- p_multi_layer->addLayer(air_layer);
- p_multi_layer->addLayer(substrate_layer);
- return p_multi_layer;
-}
-
-//! Functional test: Formfactor of 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::getHomogeneousMaterial("Air", n_air);
- const IMaterial *p_substrate_material =
- MaterialManager::getHomogeneousMaterial("Substrate", n_substrate);
- const IMaterial *particle_material =
- MaterialManager::getHomogeneousMaterial("Particle", n_particle);
- Layer air_layer;
- air_layer.setMaterial(p_air_material);
- Layer substrate_layer;
- substrate_layer.setMaterial(p_substrate_material);
- ParticleDecoration particle_decoration
- (new Particle(particle_material,
- new FormFactorPrism3(5*Units::nanometer,
- 5*Units::nanometer)));
- particle_decoration.addInterferenceFunction
- (new InterferenceFunctionNone());
-
- air_layer.setDecoration(particle_decoration);
-
- p_multi_layer->addLayer(air_layer);
- p_multi_layer->addLayer(substrate_layer);
- return p_multi_layer;
-}
-
-//! Functional test: Formfactor of a 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::getHomogeneousMaterial("Air", n_air);
- const IMaterial *p_substrate_material =
- MaterialManager::getHomogeneousMaterial("Substrate", n_substrate);
- const IMaterial *particle_material =
- MaterialManager::getHomogeneousMaterial("Particle", n_particle);
- Layer air_layer;
- air_layer.setMaterial(p_air_material);
- Layer substrate_layer;
- substrate_layer.setMaterial(p_substrate_material);
- ParticleDecoration particle_decoration
- (new Particle(particle_material,
- new FormFactorFullSphere(5*Units::nanometer ) ) );
- particle_decoration.addInterferenceFunction
- (new InterferenceFunctionNone());
-
- air_layer.setDecoration(particle_decoration);
-
- p_multi_layer->addLayer(air_layer);
- p_multi_layer->addLayer(substrate_layer);
- return p_multi_layer;
-}
+//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::getHomogeneousMaterial("Air", n_air);
+// const IMaterial *p_substrate_material =
+// MaterialManager::getHomogeneousMaterial("Substrate", n_substrate);
+// const IMaterial *particle_material =
+// MaterialManager::getHomogeneousMaterial("Particle", n_particle);
+
+// Layer air_layer;
+// air_layer.setMaterial(p_air_material);
+// Layer substrate_layer;
+// substrate_layer.setMaterial(p_substrate_material);
+// ParticleDecoration particle_decoration
+// (new Particle(particle_material,
+// new FormFactorBox(5*Units::nanometer,
+// 5*Units::nanometer,
+// 5*Units::nanometer)));
+// particle_decoration.addInterferenceFunction
+// (new InterferenceFunctionNone());
+
+// air_layer.setDecoration(particle_decoration);
+
+// p_multi_layer->addLayer(air_layer);
+// p_multi_layer->addLayer(substrate_layer);
+// return p_multi_layer;
+//}
+
+////! Functional test: Formfactor of a 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::getHomogeneousMaterial("Air", n_air);
+// const IMaterial *p_substrate_material =
+// MaterialManager::getHomogeneousMaterial("Substrate", n_substrate);
+// const IMaterial *particle_material =
+// MaterialManager::getHomogeneousMaterial("Particle", n_particle);
+// Layer air_layer;
+// air_layer.setMaterial(p_air_material);
+// Layer substrate_layer;
+// substrate_layer.setMaterial(p_substrate_material);
+// ParticleDecoration particle_decoration
+// (new Particle(particle_material,
+// new FormFactorCone(5*Units::nanometer,
+// 5*Units::nanometer,
+// Units::deg2rad(54.73 ))));
+// particle_decoration.addInterferenceFunction
+// (new InterferenceFunctionNone());
+
+// air_layer.setDecoration(particle_decoration);
+
+// p_multi_layer->addLayer(air_layer);
+// p_multi_layer->addLayer(substrate_layer);
+// return p_multi_layer;
+//}
+
+////! Functional test: Formfactor of a 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::getHomogeneousMaterial("Air", n_air);
+// const IMaterial *p_substrate_material =
+// MaterialManager::getHomogeneousMaterial("Substrate", n_substrate);
+// const IMaterial *particle_material =
+// MaterialManager::getHomogeneousMaterial("Particle", n_particle);
+
+// Layer air_layer;
+// air_layer.setMaterial(p_air_material);
+// Layer substrate_layer;
+// substrate_layer.setMaterial(p_substrate_material);
+// ParticleDecoration particle_decoration
+// (new Particle(particle_material,
+// new FormFactorSphere(5*Units::nanometer,
+// 5*Units::nanometer)));
+// particle_decoration.addInterferenceFunction
+//(new InterferenceFunctionNone());
+
+// air_layer.setDecoration(particle_decoration);
+
+// p_multi_layer->addLayer(air_layer);
+// p_multi_layer->addLayer(substrate_layer);
+// return p_multi_layer;
+//}
+
+//// Functional test: Formfactor of an 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::getHomogeneousMaterial("Air", n_air);
+// const IMaterial *p_substrate_material =
+// MaterialManager::getHomogeneousMaterial("Substrate", n_substrate);
+// const IMaterial *particle_material =
+// MaterialManager::getHomogeneousMaterial("Particle", n_particle);
+// Layer air_layer;
+// air_layer.setMaterial(p_air_material);
+// Layer substrate_layer;
+// substrate_layer.setMaterial(p_substrate_material);
+// ParticleDecoration particle_decoration
+// (new Particle(particle_material,
+// new FormFactorEllipsoid(5*Units::nanometer,
+// 5*Units::nanometer,
+// 5*Units::nanometer,
+// Units::deg2rad(54.73 ))));
+// particle_decoration.addInterferenceFunction
+// (new InterferenceFunctionNone());
+
+// air_layer.setDecoration(particle_decoration);
+
+// p_multi_layer->addLayer(air_layer);
+// p_multi_layer->addLayer(substrate_layer);
+// return p_multi_layer;
+//}
+
+////! Functional test: Formfactor of a 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::getHomogeneousMaterial("Air", n_air);
+// const IMaterial *p_substrate_material =
+// MaterialManager::getHomogeneousMaterial("Substrate", n_substrate);
+// const IMaterial *particle_material =
+// MaterialManager::getHomogeneousMaterial("Particle", n_particle);
+// Layer air_layer;
+// air_layer.setMaterial(p_air_material);
+// Layer substrate_layer;
+// substrate_layer.setMaterial(p_substrate_material);
+// ParticleDecoration particle_decoration
+// (new Particle(particle_material,
+// new FormFactorFullSpheroid(5*Units::nanometer,
+// 7*Units::nanometer )));
+// particle_decoration.addInterferenceFunction
+// (new InterferenceFunctionNone());
+
+// air_layer.setDecoration(particle_decoration);
+
+// p_multi_layer->addLayer(air_layer);
+// p_multi_layer->addLayer(substrate_layer);
+// return p_multi_layer;
+//}
+
+////! Functional test: Formfactor of a 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::getHomogeneousMaterial("Air", n_air);
+// const IMaterial *p_substrate_material =
+// MaterialManager::getHomogeneousMaterial("Substrate", n_substrate);
+// const IMaterial *particle_material =
+// MaterialManager::getHomogeneousMaterial("Particle", n_particle);
+
+// Layer air_layer;
+// air_layer.setMaterial(p_air_material);
+// Layer substrate_layer;
+// substrate_layer.setMaterial(p_substrate_material);
+// ParticleDecoration particle_decoration
+// (new Particle(particle_material,
+// new FormFactorHemiSpheroid(5*Units::nanometer,
+// 4*Units::nanometer,
+// 2*Units::nanometer)));
+// particle_decoration.addInterferenceFunction
+// (new InterferenceFunctionNone());
+
+// air_layer.setDecoration(particle_decoration);
+
+// p_multi_layer->addLayer(air_layer);
+// p_multi_layer->addLayer(substrate_layer);
+// return p_multi_layer;
+//}
+
+////! Functional test: Formfactor of a 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::getHomogeneousMaterial("Air11", n_air);
+
+// const IMaterial *shell_material =
+// MaterialManager::getHomogeneousMaterial("Shell", n_particle_shell);
+// const IMaterial *core_material =
+// MaterialManager::getHomogeneousMaterial("Core", n_particle_core);
+
+// Layer air_layer;
+// air_layer.setMaterial(p_air_material);
+// Particle shell_particle(shell_material,
+// new FormFactorParallelepiped(8*Units::nanometer,
+// 8*Units::nanometer));
+// Particle core_particle(core_material,
+// 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());
+
+// air_layer.setDecoration(particle_decoration);
+
+// p_multi_layer->addLayer(air_layer);
+// return p_multi_layer;
+//}
+
+////! Functional test: Formfactor of a 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::getHomogeneousMaterial("Air11", n_air);
+// const IMaterial *shell_material =
+// MaterialManager::getHomogeneousMaterial("Shell", n_particle_shell);
+// const IMaterial *core_material =
+// MaterialManager::getHomogeneousMaterial("Core", n_particle_core);
+
+// Layer air_layer;
+// air_layer.setMaterial(p_air_material);
+// Particle shell_particle(shell_material,
+// new FormFactorCylinder(8*Units::nanometer,
+// 8*Units::nanometer));
+// Particle core_particle(core_material,
+// 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());
+
+// air_layer.setDecoration(particle_decoration);
+
+
+// p_multi_layer->addLayer(air_layer);
+// return p_multi_layer;
+//}
+
+////! Functional test: Formfactor of a 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::getHomogeneousMaterial("Air", n_air);
+// const IMaterial *p_substrate_material =
+// MaterialManager::getHomogeneousMaterial("Substrate", n_substrate);
+// const IMaterial *particle_material =
+// MaterialManager::getHomogeneousMaterial("Particle", n_particle);
+
+// Layer air_layer;
+// air_layer.setMaterial(p_air_material);
+// Layer substrate_layer;
+// substrate_layer.setMaterial(p_substrate_material);
+// ParticleDecoration particle_decoration
+// (new Particle(particle_material,
+// new FormFactorPyramid(5*Units::nanometer,
+// 5*Units::nanometer,
+// Units::deg2rad(54.73 ) ) ) );
+// particle_decoration.addInterferenceFunction
+// (new InterferenceFunctionNone());
+
+// air_layer.setDecoration(particle_decoration);
+
+// p_multi_layer->addLayer(air_layer);
+// p_multi_layer->addLayer(substrate_layer);
+// return p_multi_layer;
+//}
+
+////! Functional test: Formfactor of 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::getHomogeneousMaterial("Air", n_air);
+// const IMaterial *p_substrate_material =
+// MaterialManager::getHomogeneousMaterial("Substrate", n_substrate);
+// const IMaterial *particle_material =
+// MaterialManager::getHomogeneousMaterial("Particle", n_particle);
+// Layer air_layer;
+// air_layer.setMaterial(p_air_material);
+// Layer substrate_layer;
+// substrate_layer.setMaterial(p_substrate_material);
+// ParticleDecoration particle_decoration
+// (new Particle(particle_material,
+// new FormFactorPrism3(5*Units::nanometer,
+// 5*Units::nanometer)));
+// particle_decoration.addInterferenceFunction
+// (new InterferenceFunctionNone());
+
+// air_layer.setDecoration(particle_decoration);
+
+// p_multi_layer->addLayer(air_layer);
+// p_multi_layer->addLayer(substrate_layer);
+// return p_multi_layer;
+//}
+
+////! Functional test: Formfactor of a 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::getHomogeneousMaterial("Air", n_air);
+// const IMaterial *p_substrate_material =
+// MaterialManager::getHomogeneousMaterial("Substrate", n_substrate);
+// const IMaterial *particle_material =
+// MaterialManager::getHomogeneousMaterial("Particle", n_particle);
+// Layer air_layer;
+// air_layer.setMaterial(p_air_material);
+// Layer substrate_layer;
+// substrate_layer.setMaterial(p_substrate_material);
+// ParticleDecoration particle_decoration
+// (new Particle(particle_material,
+// new FormFactorFullSphere(5*Units::nanometer ) ) );
+// particle_decoration.addInterferenceFunction
+// (new InterferenceFunctionNone());
+
+// air_layer.setDecoration(particle_decoration);
+
+// p_multi_layer->addLayer(air_layer);
+// p_multi_layer->addLayer(substrate_layer);
+// return p_multi_layer;
+//}
//! Multilayer specular magnetic testcase
diff --git a/App/src/TestFunctionalTests.cpp b/App/src/TestFunctionalTests.cpp
index fe14446dbaa..1654bedaa37 100644
--- a/App/src/TestFunctionalTests.cpp
+++ b/App/src/TestFunctionalTests.cpp
@@ -11,7 +11,8 @@ void TestFunctionalTests::execute()
if(!readTestNames()) return;
for(size_t i=0; i<m_testNames.size(); ++i) {
- FunctionalTest_t test = m_testRegistry.runTest(m_testNames[i]);
+ FunctionalTest_t test = m_testRegistry.getTest(m_testNames[i]);
+ test->runTest();
IsGISAXSTools::drawOutputDataComparisonResults( *test->getResult(),
*test->getReference(), test->getName(), test->getDescription());
diff --git a/App/src/TestIsGISAXS15.cpp b/App/src/TestIsGISAXS15.cpp
deleted file mode 100644
index 07558e053a2..00000000000
--- a/App/src/TestIsGISAXS15.cpp
+++ /dev/null
@@ -1,55 +0,0 @@
-// ************************************************************************** //
-//
-// BornAgain: simulate and fit scattering at grazing incidence
-//
-//! @file App/src/TestIsGISAXS15.cpp
-//! @brief Implements class TestIsGISAXS15.
-//
-//! Homepage: apps.jcns.fz-juelich.de/BornAgain
-//! License: GNU General Public License v3 or higher (see COPYING)
-//! @copyright Forschungszentrum Jülich GmbH 2013
-//! @authors Scientific Computing Group at MLZ Garching
-//! @authors C. Durniak, G. Pospelov, W. Van Herck, J. Wuttke
-//
-// ************************************************************************** //
-
-#include "TestIsGISAXS15.h"
-#include "IsGISAXS15.h"
-#include "IsGISAXSTools.h"
-#include "OutputDataIOFactory.h"
-#include "Utils.h"
-
-#include <fstream>
-
-
-TestIsGISAXS15::TestIsGISAXS15() : IApplicationTest("TestIsGISAXS15")
-{
- setOutputPath(Utils::FileSystem::GetPathToData("../Tests/ReferenceData/IsGISAXS/ex-15/" ));
-}
-
-
-void TestIsGISAXS15::execute()
-{
- FunctionalTests::IsGISAXS15 test;
- test.run();
-
- OutputDataIOFactory::writeIntensityData(*test.getOutputData(), "this_SSCA.ima");
-}
-
-
-void TestIsGISAXS15::finalise()
-{
- std::string isgi_file(getOutputPath()+"isgi_SSCA.ima");
- std::string this_file("this_SSCA.ima");
-
- OutputData<double> *isgi_data = OutputDataIOFactory::readIntensityData(isgi_file);
- OutputData<double> *our_data = OutputDataIOFactory::readIntensityData(this_file);
-
- IsGISAXSTools::drawOutputDataComparisonResults(*our_data, *isgi_data, "TestIsGISAXS15_c1", "SSCA Cylinders");
-
- delete isgi_data;
- delete our_data;
-}
-
-
-
diff --git a/App/src/TestMesoCrystal1.cpp b/App/src/TestMesoCrystal1.cpp
index 170ff808d43..4257a84c0dc 100644
--- a/App/src/TestMesoCrystal1.cpp
+++ b/App/src/TestMesoCrystal1.cpp
@@ -30,9 +30,8 @@ void TestMesoCrystal1::execute()
// loading reference data
//std::string filename = Utils::FileSystem::GetPathToData("../Tests/ReferenceData/BornAgain/")+ "mesocrystal1b_reference.txt.gz";
//std::string filename = "dev-tools/tmp-examples/MesoCrystals/ex02_fitspheres/004_230_P144_im_full_phitheta.txt.gz";
- std::string filename = Utils::FileSystem::GetPathToData("../Tests/ReferenceData/BornAgain/")+ "mesocrystal1_reference_v2_nphi180.txt.gz";
+ std::string filename = Utils::FileSystem::GetReferenceDataDir()+ "mesocrystal1_reference_v2_nphi180.txt.gz";
//std::string filename = Utils::FileSystem::GetPathToData("../Tests/ReferenceData/BornAgain/")+ "mesocrystal1_reference_v2_nphi2.txt.gz";
- //std::string filename = "mac_test_mesocrystal.txt";
OutputData<double> *reference = OutputDataIOFactory::readIntensityData(filename);
@@ -41,8 +40,7 @@ void TestMesoCrystal1::execute()
// setting detector axis as in reference data
simulation->setDetectorParameters(*reference);
- //simulation->getSampleBuilder()->setMatchedParametersValue("*/nphi_rotations", 2.);
-
+ simulation->getSampleBuilder()->setParameterValue("nphi_rotations", 180.);
simulation->runSimulation();
simulation->normalize();
diff --git a/App/src/TestMiscellaneous.cpp b/App/src/TestMiscellaneous.cpp
index bb2c8e60eee..71243db1f90 100644
--- a/App/src/TestMiscellaneous.cpp
+++ b/App/src/TestMiscellaneous.cpp
@@ -74,7 +74,7 @@ void TestMiscellaneous::test_FunctionalTestRegistry()
FunctionalTestRegistry tests;
tests.printCatalogue();
- tests.runTest("isgisaxs01");
+ tests.getTest("isgisaxs01");
std::cout << Utils::FileSystem::GetReferenceDataDir() << std::endl;
}
diff --git a/Core/StandardSamples/FunctionalTestRegistry.cpp b/Core/StandardSamples/FunctionalTestRegistry.cpp
index 42ec584b7fd..e79fd532a91 100644
--- a/Core/StandardSamples/FunctionalTestRegistry.cpp
+++ b/Core/StandardSamples/FunctionalTestRegistry.cpp
@@ -73,6 +73,14 @@ FunctionalTestRegistry::Catalogue::Catalogue()
"Core shell nanoparticles",
"isgisaxs11_reference.ima.gz", 2e-10);
+ add("isgisaxs15",
+ "Size spacing correlation approximation",
+ "isgisaxs15_reference.ima.gz", 2e-10);
+
+ add("mesocrystal01",
+ "Mesocrystals of cylindrical shape composed by spherical nanoparticles",
+ "mesocrystal1_reference_v2_nphi2.txt.gz", 1e-10);
+
}
@@ -128,18 +136,26 @@ bool FunctionalTestRegistry::isRegisteredName(const std::string &name)
}
-FunctionalTest_t FunctionalTestRegistry::runTest(const std::string &name)
+FunctionalTest_t FunctionalTestRegistry::getTest(const std::string &name)
{
FunctionalTest_t test(new FunctionalTest(m_catalogue.getInfo(name)));
- test->runTest();
return test;
}
+//FunctionalTest_t FunctionalTestRegistry::runTest(const std::string &name)
+//{
+// FunctionalTest_t test(new FunctionalTest(m_catalogue.getInfo(name)));
+// test->runTest();
+// return test;
+//}
+
+
int FUNCTIONAL_TEST(const std::string &name)
{
FunctionalTestRegistry registry;
- FunctionalTest_t test = registry.runTest(name);
+ FunctionalTest_t test = registry.getTest(name);
+ test->runTest();
return test->analyseResults();
}
diff --git a/Core/StandardSamples/FunctionalTestRegistry.h b/Core/StandardSamples/FunctionalTestRegistry.h
index 763a2694dba..68d37f7c760 100644
--- a/Core/StandardSamples/FunctionalTestRegistry.h
+++ b/Core/StandardSamples/FunctionalTestRegistry.h
@@ -24,7 +24,9 @@ public:
void printCatalogue() { m_catalogue.print(); }
- FunctionalTest_t runTest(const std::string &name);
+ FunctionalTest_t getTest(const std::string &name);
+
+ //FunctionalTest_t runTest(const std::string &name);
bool isRegisteredName(const std::string &name);
diff --git a/Core/StandardSamples/IFunctionalTest.cpp b/Core/StandardSamples/IFunctionalTest.cpp
index 09917b62957..9530840e2fe 100644
--- a/Core/StandardSamples/IFunctionalTest.cpp
+++ b/Core/StandardSamples/IFunctionalTest.cpp
@@ -5,24 +5,38 @@
#include "FileSystem.h"
-void FunctionalTest::runTest()
+FunctionalTest::FunctionalTest(const FunctionalTestInfo &info)
+ : m_info(info),
+ m_simulation(0),
+ m_reference(0)
{
SimulationRegistry sim_registry;
- Simulation *simulation = sim_registry.createSimulation(getName());
+ m_simulation = sim_registry.createSimulation(getName());
std::string filename = Utils::FileSystem::GetReferenceDataDir() + m_info.m_reference_file;
m_reference = OutputDataIOFactory::readIntensityData(filename);
+}
+
+
+FunctionalTest::~FunctionalTest()
+{
+ delete m_simulation;
+ delete m_reference;
+}
+
- simulation->runSimulation();
- m_result = simulation->getIntensityData();
- delete simulation;
+void FunctionalTest::runTest()
+{
+ m_simulation->runSimulation();
}
+
int FunctionalTest::analyseResults()
{
- assert(m_result);
+ assert(m_simulation);
+// assert(m_result);
assert(m_reference);
- double diff = OutputDataFunctions::GetDifference(*m_result,*m_reference);
+ double diff = OutputDataFunctions::GetDifference(*getResult(),*m_reference);
std::cout << getName() << " " << getDescription() << " " << diff
<< " " << (diff>m_info.m_threshold ? "[FAILED]" : "[OK]") << std::endl;
diff --git a/Core/StandardSamples/IFunctionalTest.h b/Core/StandardSamples/IFunctionalTest.h
index c0192e21e57..4dd550812a5 100644
--- a/Core/StandardSamples/IFunctionalTest.h
+++ b/Core/StandardSamples/IFunctionalTest.h
@@ -2,10 +2,11 @@
#define _IFUNCTIONALTEST_H
-#include "OutputData.h"
+#include "Simulation.h"
#include <boost/shared_ptr.hpp>
#include <string>
+
class IFunctionalTest
{
public:
@@ -40,10 +41,12 @@ class FunctionalTest : public IFunctionalTest
{
public:
enum TestResult { SUCCESS, FAILED};
- FunctionalTest(const FunctionalTestInfo &info) : m_info(info), m_result(0), m_reference(0) {}
- ~FunctionalTest() { delete m_result; delete m_reference; }
- const OutputData<double> *getResult() const { return m_result; }
+ FunctionalTest(const FunctionalTestInfo &info);
+ ~FunctionalTest();
+
+ Simulation *getSimulation() { return m_simulation; }
+ const OutputData<double> *getResult() const { return m_simulation->getOutputData(); }
const OutputData<double> *getReference() const { return m_reference; }
std::string getName() const { return m_info.m_name; }
std::string getDescription() const { return m_info.m_description; }
@@ -52,7 +55,7 @@ public:
private:
FunctionalTestInfo m_info;
- OutputData<double> *m_result;
+ Simulation *m_simulation;
OutputData<double> *m_reference;
};
diff --git a/Core/StandardSamples/MesoCrystal01Builder.cpp b/Core/StandardSamples/MesoCrystal01Builder.cpp
index 0606a782f45..50ea1b84f43 100644
--- a/Core/StandardSamples/MesoCrystal01Builder.cpp
+++ b/Core/StandardSamples/MesoCrystal01Builder.cpp
@@ -24,7 +24,7 @@ MesoCrystal01Builder::MesoCrystal01Builder()
, m_sigma_lattice_length_a(1.1601e+00*Units::nanometer)
, m_surface_filling_ratio(1.7286e-01)
, m_roughness(2.8746e+01*Units::nanometer)
- , m_nphi_rotations(180)
+ , m_nphi_rotations(2)
{
init_parameters();
}
diff --git a/Core/StandardSamples/SampleBuilderFactory.cpp b/Core/StandardSamples/SampleBuilderFactory.cpp
index c0b2ddc3ec6..20fedfeb847 100644
--- a/Core/StandardSamples/SampleBuilderFactory.cpp
+++ b/Core/StandardSamples/SampleBuilderFactory.cpp
@@ -107,7 +107,8 @@ SampleBuilderFactory::SampleBuilderFactory()
registerItem(
"mesocrystal01",
IFactoryCreateFunction<MesoCrystal01Builder, ISampleBuilder>,
- "mesocrystals of cylindrical shape composed by spherical nanoparticles");
+ "Mesocrystals of cylindrical shape composed by spherical nanoparticles");
+
registerItem(
"PolarizedDWBAZeroMag",
IFactoryCreateFunction<PolarizedDWBAZeroMagBuilder, ISampleBuilder>,
diff --git a/Core/StandardSamples/SimulationRegistry.cpp b/Core/StandardSamples/SimulationRegistry.cpp
index 3ff1476d59a..1eccd25178a 100644
--- a/Core/StandardSamples/SimulationRegistry.cpp
+++ b/Core/StandardSamples/SimulationRegistry.cpp
@@ -72,11 +72,11 @@ SimulationRegistry::SimulationRegistry()
registerItem(
"isgisaxs15", StandardSimulations::IsGISAXS15,
- "IsGISAXS15 example, Size spacing correlation approximation");
+ "Size spacing correlation approximation");
registerItem(
"mesocrystal01", StandardSimulations::MesoCrystal01,
- "mesocrystals of cylindrical shape composed by spherical nanoparticles");
+ "Mesocrystals of cylindrical shape composed by spherical nanoparticles");
registerItem(
"PolarizedDWBAZeroMag", StandardSimulations::PolarizedDWBAZeroMag,
diff --git a/Core/StandardSamples/StandardSimulations.cpp b/Core/StandardSamples/StandardSimulations.cpp
index f07a7060bac..00c95799238 100644
--- a/Core/StandardSamples/StandardSimulations.cpp
+++ b/Core/StandardSamples/StandardSimulations.cpp
@@ -3,6 +3,8 @@
#include "Simulation.h"
#include "ResolutionFunction2DSimple.h"
#include "Units.h"
+#include "FileSystem.h"
+#include "OutputDataIOFactory.h"
Simulation *StandardSimulations::IsGISAXS01()
{
@@ -373,6 +375,12 @@ Simulation *StandardSimulations::MesoCrystal01()
Simulation *result = new Simulation();
result->setBeamParameters(1.77*Units::angstrom, 0.4*Units::degree, 0.0*Units::degree);
result->setBeamIntensity(5.0090e+12);
+
+ std::string filename = Utils::FileSystem::GetReferenceDataDir() + "mesocrystal1_reference_v2_nphi2.txt.gz";
+ OutputData<double> *reference = OutputDataIOFactory::readIntensityData(filename);
+ result->setDetectorParameters(*reference);
+ delete reference;
+
// result->setDetectorResolutionFunction(
// new ResolutionFunction2DSimple(0.0002, 0.0002));
diff --git a/Tests/FunctionalTests/TestCore/IsGISAXS08a/IsGISAXS082DDL.cpp b/Tests/FunctionalTests/TestCore/IsGISAXS08a/IsGISAXS08a.cpp
similarity index 100%
rename from Tests/FunctionalTests/TestCore/IsGISAXS08a/IsGISAXS082DDL.cpp
rename to Tests/FunctionalTests/TestCore/IsGISAXS08a/IsGISAXS08a.cpp
diff --git a/Tests/FunctionalTests/TestCore/IsGISAXS08b/IsGISAXS082DDL2.cpp b/Tests/FunctionalTests/TestCore/IsGISAXS08b/IsGISAXS08b.cpp
similarity index 100%
rename from Tests/FunctionalTests/TestCore/IsGISAXS08b/IsGISAXS082DDL2.cpp
rename to Tests/FunctionalTests/TestCore/IsGISAXS08b/IsGISAXS08b.cpp
diff --git a/Tests/FunctionalTests/TestCore/IsGISAXS09a/IsGISAXS09P.cpp b/Tests/FunctionalTests/TestCore/IsGISAXS09a/IsGISAXS09a.cpp
similarity index 100%
rename from Tests/FunctionalTests/TestCore/IsGISAXS09a/IsGISAXS09P.cpp
rename to Tests/FunctionalTests/TestCore/IsGISAXS09a/IsGISAXS09a.cpp
diff --git a/Tests/FunctionalTests/TestCore/IsGISAXS09b/IsGISAXS09R.cpp b/Tests/FunctionalTests/TestCore/IsGISAXS09b/IsGISAXS09b.cpp
similarity index 100%
rename from Tests/FunctionalTests/TestCore/IsGISAXS09b/IsGISAXS09R.cpp
rename to Tests/FunctionalTests/TestCore/IsGISAXS09b/IsGISAXS09b.cpp
diff --git a/Tests/FunctionalTests/TestCore/IsGISAXS15/IsGISAXS15.cpp b/Tests/FunctionalTests/TestCore/IsGISAXS15/IsGISAXS15.cpp
index fbbb1008c54..0a9943137a8 100644
--- a/Tests/FunctionalTests/TestCore/IsGISAXS15/IsGISAXS15.cpp
+++ b/Tests/FunctionalTests/TestCore/IsGISAXS15/IsGISAXS15.cpp
@@ -1,75 +1,8 @@
-#include "IsGISAXS15.h"
-#include "MultiLayer.h"
-#include "ParticleDecoration.h"
-#include "ParticleBuilder.h"
-#include "InterferenceFunction1DParaCrystal.h"
-#include "FormFactorCylinder.h"
-#include "Simulation.h"
-#include "Units.h"
-#include "MaterialManager.h"
-#include "StochasticGaussian.h"
-#include "StochasticSampledParameter.h"
-#include "OutputDataIOFactory.h"
-#include "Utils.h"
-#include "MathFunctions.h"
-#include "SimulationRegistry.h"
-#include "OutputDataFunctions.h"
-#include <iostream>
-#include <cmath>
-
-
-FunctionalTests::IsGISAXS15::IsGISAXS15()
- : m_name("IsGISAXS15")
- , m_description("Size spacing correlation approximation")
- , m_result(0)
- , m_reference(0)
-{ }
-
-
-void FunctionalTests::IsGISAXS15::run(const std::string &path_to_data)
-{
- SimulationRegistry sim_registry;
- Simulation *simulation = sim_registry.createSimulation("isgisaxs15");
-
- // loading reference data
- std::string filename = path_to_data + "isgisaxs15_reference.ima.gz";
- m_reference = OutputDataIOFactory::readIntensityData(filename);
-
- simulation->runSimulation();
-
- m_result = simulation->getIntensityData();
- delete simulation;
-}
-
-
-int FunctionalTests::IsGISAXS15::analyseResults()
-{
- const double threshold(2e-10);
-
- // calculating average relative difference
- double diff = OutputDataFunctions::GetDifference(*m_result,*m_reference);
-
- bool status_ok(true);
- if( diff > threshold ) status_ok=false;
-
- std::cout << m_name << " " << m_description << " " <<
- (status_ok ? "[OK]" : "[FAILED]") << std::endl;
- return (status_ok ? 0 : 1);
-}
-
-
-#ifdef STANDALONE
-std::string GetPathToData(int argc, char **argv)
-{
- if(argc == 2) return argv[1];
- return Utils::FileSystem::GetPathToData("../../../ReferenceData/BornAgain/", argv[0]);
-}
+#include "FunctionalTestRegistry.h"
+#include "FileSystem.h"
int main(int argc, char **argv)
{
- FunctionalTests::IsGISAXS15 test;
- test.run(GetPathToData(argc, argv));
- return test.analyseResults();
+ if(argc == 2) Utils::FileSystem::SetReferenceDataDir(argv[1]);
+ return FUNCTIONAL_TEST("isgisaxs15");
}
-#endif
-
diff --git a/Tests/FunctionalTests/TestCore/IsGISAXS15/IsGISAXS15.h b/Tests/FunctionalTests/TestCore/IsGISAXS15/IsGISAXS15.h
deleted file mode 100644
index a91e1104ce0..00000000000
--- a/Tests/FunctionalTests/TestCore/IsGISAXS15/IsGISAXS15.h
+++ /dev/null
@@ -1,31 +0,0 @@
-#ifndef FUNCTIONALTESTS_ISGISAXS15_H
-#define FUNCTIONALTESTS_ISGISAXS15_H
-
-#include "ISampleBuilder.h"
-#include <string>
-#include "OutputData.h"
-
-
-namespace FunctionalTests {
-
-class IsGISAXS15
-{
-public :
- IsGISAXS15();
- ~IsGISAXS15() { delete m_result; delete m_reference; }
-
- void run(const std::string &path_to_data = std::string());
- int analyseResults();
-
- const OutputData<double> *getOutputData() { return m_result; }
-
- private:
- std::string m_name;
- std::string m_description;
- OutputData<double> *m_result;
- OutputData<double> *m_reference;
-};
-
-}
-
-#endif
diff --git a/Tests/FunctionalTests/TestCore/MesoCrystal1/MesoCrystal1.cpp b/Tests/FunctionalTests/TestCore/MesoCrystal1/MesoCrystal1.cpp
index 9119717bca1..3284193a401 100644
--- a/Tests/FunctionalTests/TestCore/MesoCrystal1/MesoCrystal1.cpp
+++ b/Tests/FunctionalTests/TestCore/MesoCrystal1/MesoCrystal1.cpp
@@ -1,76 +1,16 @@
-#include "MesoCrystal1.h"
-#include "Simulation.h"
-#include "ResolutionFunction2DSimple.h"
-#include "OutputDataIOFactory.h"
-#include "Utils.h"
-#include "Units.h"
-#include "Types.h"
+#include "FunctionalTestRegistry.h"
+#include "FileSystem.h"
#include "SimulationRegistry.h"
-#include "OutputDataFunctions.h"
-
-using namespace FunctionalTests;
-
-
-
-MesoCrystal1::MesoCrystal1()
-: m_name("MesoCrystal1")
-, m_description("Meso crystal simulation")
-, m_result(0)
-, m_reference(0)
-{ }
-
-
-void MesoCrystal1::MesoCrystal1::run(const std::string &path_to_data)
-{
- SimulationRegistry sim_registry;
- Simulation *simulation = sim_registry.createSimulation("mesocrystal01");
- simulation->getSampleBuilder()->setParameterValue("nphi_rotations", 2.);
-
- // loading reference data
- std::string filename = path_to_data + "mesocrystal1_reference_v2_nphi2.txt.gz";
- m_reference = OutputDataIOFactory::readIntensityData(filename);
-
- // setting detector axis as in reference data
- simulation->setDetectorParameters(*m_reference);
-
- simulation->runSimulation();
- simulation->normalize();
-
- m_result = simulation->getIntensityData();
- delete simulation;
-}
-
-
-int MesoCrystal1::analyseResults()
-{
- const double threshold(1e-10);
-
- // calculating average relative difference
- double diff = OutputDataFunctions::GetDifference(*m_result,*m_reference);
-
- bool status_ok(true);
- if( diff > threshold ) status_ok=false;
-
- std::cout << " diff " << diff << std::endl;
- std::cout << m_name << " " << m_description << " " <<
- (status_ok ? "[OK]" : "[FAILED]") << std::endl;
- return (status_ok ? 0 : 1);
-}
-
-
-
-#ifdef STANDALONE
-std::string GetPathToData(int argc, char **argv)
-{
- if(argc == 2) return argv[1];
- return Utils::FileSystem::GetPathToData("../../../ReferenceData/BornAgain/", argv[0]);
-}
int main(int argc, char **argv)
{
- FunctionalTests::MesoCrystal1 test;
- test.run(GetPathToData(argc, argv));
- return test.analyseResults();
+ if(argc == 2) Utils::FileSystem::SetReferenceDataDir(argv[1]);
+
+ FunctionalTestRegistry registry;
+ FunctionalTest_t test = registry.getTest("mesocrystal01");
+ test->runTest();
+ test->getSimulation()->normalize();
+ return test->analyseResults();
+ //return FUNCTIONAL_TEST("mesocrystal01");
}
-#endif
diff --git a/Tests/FunctionalTests/TestCore/MesoCrystal1/MesoCrystal1.h b/Tests/FunctionalTests/TestCore/MesoCrystal1/MesoCrystal1.h
deleted file mode 100644
index 61f89d51d0e..00000000000
--- a/Tests/FunctionalTests/TestCore/MesoCrystal1/MesoCrystal1.h
+++ /dev/null
@@ -1,38 +0,0 @@
-#ifndef _TESTMESOCRYSTAL1_H
-#define _TESTMESOCRYSTAL1_H
-
-#include "ISampleBuilder.h"
-#include "OutputData.h"
-#include <string>
-#include <vector>
-
-class ISample;
-class Simulation;
-#include "OutputData.h"
-
-
-namespace FunctionalTests {
-
-//! functional test: mesocrystal simulation
-
-class MesoCrystal1
-{
-public:
- MesoCrystal1();
- ~MesoCrystal1() { delete m_result; delete m_reference;}
-
- //! run fitting
- void run(const std::string &path_to_data = std::string());
- int analyseResults();
-
-private:
- std::string m_name;
- std::string m_description;
- OutputData<double> *m_result;
- OutputData<double> *m_reference;
-};
-
-}
-
-
-#endif
--
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