diff --git a/App/inc/StandardSamples.h b/App/inc/StandardSamples.h
index 1e07282ab0156590ae9ac5140a8b965b9d86d240..c4d5a8345f7460795b095a3c58d933d1bf6e95f0 100644
--- a/App/inc/StandardSamples.h
+++ b/App/inc/StandardSamples.h
@@ -40,7 +40,7 @@ ISample *MesoCrystal1();
//ISample *FormFactor_Sphere();
//ISample *FormFactor_Ellipsoid();
//ISample *FormFactor_FullSpheroid();
-//ISample *FormFactor_HemiSpheroid();
+//ISample *FormFactor_HemiEllipsoid();
//ISample *FormFactor_Parallelpiped();
//ISample *FormFactor_Cylinder();
//ISample *FormFactor_Pyramid();
diff --git a/App/src/IsGISAXSTools.cpp b/App/src/IsGISAXSTools.cpp
index a1a25529e4822906a798bbbf1b12f3a8cea96c00..f52b04ce79034e54de169e080f518aed3c4e3891 100644
--- a/App/src/IsGISAXSTools.cpp
+++ b/App/src/IsGISAXSTools.cpp
@@ -168,7 +168,7 @@ TH2D *IsGISAXSTools::getOutputDataTH2D(const OutputData<double>& output,
assert(&output);
if (output.getRank() !=2)
throw( "IsGISAXSTools::getOutputDataTH2D() -> "
- "Warning! Expected number of dimensiobs is 2.");
+ "Warning! Expected number of dimensions is 2.");
std::vector<AxisStructure > haxises;
haxises.resize(output.getRank());
diff --git a/App/src/SampleFactory.cpp b/App/src/SampleFactory.cpp
index 8d909b4ab230a1a6366a8b4a7e4949d088fa6f32..b66c658ac1baf29f201af5ee4d0fb99687fb73c9 100644
--- a/App/src/SampleFactory.cpp
+++ b/App/src/SampleFactory.cpp
@@ -60,9 +60,9 @@ SampleFactory::SampleFactory()
// 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_EllipsoidalCylinder", StandardSamples::FormFactor_EllipsoidalCylinder);
// registerItem("FormFactor_FullSpheroid", StandardSamples::FormFactor_FullSpheroid);
-// registerItem("FormFactor_HemiSpheroid", StandardSamples::FormFactor_HemiSpheroid);
+// registerItem("FormFactor_HemiEllipsoid", StandardSamples::FormFactor_HemiEllipsoid;
// registerItem("FormFactor_Parallelepiped", StandardSamples::FormFactor_Parallelpiped);
// registerItem("FormFactor_Cylinder", StandardSamples::FormFactor_Cylinder);
// registerItem("FormFactor_Pyramid", StandardSamples::FormFactor_Pyramid);
diff --git a/App/src/StandardSamples.cpp b/App/src/StandardSamples.cpp
index 74c1dd855d830eb9e1d5f1359ff955b9864ec917..7774abd1b081a8b605809d0f1faa6f8b39a24780 100644
--- a/App/src/StandardSamples.cpp
+++ b/App/src/StandardSamples.cpp
@@ -532,32 +532,31 @@ ISample *StandardSamples::MesoCrystal1()
// return p_multi_layer;
//}
-//// Functional test: Formfactor of an ellipsoid.
+// Functional test: Formfactor of an ellipsoidal cylinder.
-//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());
+ISample *StandardSamples::FormFactor_EllipsoidalCylinder()
+{
+ 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 FormFactorEllipsoidalCylinder(5*Units::nanometer,
+ 5*Units::nanometer,
+ 5*Units::nanometer)));
+ particle_decoration.addInterferenceFunction
+ (new InterferenceFunctionNone());
// air_layer.setDecoration(particle_decoration);
@@ -600,30 +599,30 @@ ISample *StandardSamples::MesoCrystal1()
////! 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);
+ISample *StandardSamples::FormFactor_HemiEllipsoid()
+{
+ 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());
+ 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 FormFactorHemiEllipsoid(5*Units::nanometer,
+ 4*Units::nanometer,
+ 2*Units::nanometer)));
+ particle_decoration.addInterferenceFunction
+ (new InterferenceFunctionNone());
// air_layer.setDecoration(particle_decoration);
diff --git a/App/src/TestFormFactors.cpp b/App/src/TestFormFactors.cpp
index 30c12c605954abacc8203fc20c39c084f15e5376..8f45ed86e36a69ebd2ed2838991543d1cfae7086 100644
--- a/App/src/TestFormFactors.cpp
+++ b/App/src/TestFormFactors.cpp
@@ -34,61 +34,93 @@ TestFormFactors::TestFormFactors()
}
void TestFormFactors::execute()
-{
+{ // no rotation of particles angle =54.73deg
+ // For Cone6 and prism6 radius = 2./sqrt(3.)R_{IsGiSaXs}
+ // Length unit : nanometers
//Cylinder
FormFactorCylinder ff_cyl(5.0, 5.0);
- IFormFactor* p_form_factor0 =& ff_cyl;
- run_isgisaxs_simulation(p_form_factor0->clone());
+ IFormFactor* p_ff_cyl =& ff_cyl;
+ run_isgisaxs_simulation(p_ff_cyl->clone());
//Box
FormFactorBox ff_box(10.0, 20.0, 5.0);
- IFormFactor* p_form_factor1 =& ff_box;
- run_isgisaxs_simulation(p_form_factor1->clone());
+ IFormFactor* p_ff_box =& ff_box;
+ run_isgisaxs_simulation(p_ff_box->clone());
//Cone
FormFactorCone ff_cone(5.0, 5.0, Units::deg2rad(54.73 ));
- IFormFactor* p_form_factor2 =& ff_cone;
- run_isgisaxs_simulation(p_form_factor2->clone());
+ IFormFactor* p_ff_cone =& ff_cone;
+ run_isgisaxs_simulation(p_ff_cone->clone());
//Cone6
FormFactorCone6 ff_cone6(2./sqrt(3.)*5.0, 5.0, Units::deg2rad(54.73));
- IFormFactor* p_form_factor3 =& ff_cone6;
- run_isgisaxs_simulation(p_form_factor3->clone());
+ IFormFactor* p_ff_cone6 =& ff_cone6;
+ run_isgisaxs_simulation(p_ff_cone6->clone());
//FullSphere
FormFactorFullSphere ff_fsph(5.0);
- IFormFactor* p_form_factor4 =& ff_fsph;
- run_isgisaxs_simulation(p_form_factor4->clone());
+ IFormFactor* p_ff_fsph =& ff_fsph;
+ run_isgisaxs_simulation(p_ff_fsph->clone());
//Parallelepiped
FormFactorParallelepiped ff_par(5.0, 5.0);
- IFormFactor* p_form_factor5 =& ff_par;
- run_isgisaxs_simulation(p_form_factor5->clone());
+ IFormFactor* p_ff_par =& ff_par;
+ run_isgisaxs_simulation(p_ff_par->clone());
//Prism3
FormFactorPrism3 ff_pr3(5.0, 5.0);
- IFormFactor* p_form_factor6 =& ff_pr3;
- run_isgisaxs_simulation(p_form_factor6->clone());
+ IFormFactor* p_ff_pr3 =& ff_pr3;
+ run_isgisaxs_simulation(p_ff_pr3->clone());
//Prism6
FormFactorPrism6 ff_pr6(2./sqrt(3.)*5.0, 5.0);
- IFormFactor* p_form_factor7 =& ff_pr6;
- run_isgisaxs_simulation(p_form_factor7->clone());
+ IFormFactor* p_ff_pr6 =& ff_pr6;
+ run_isgisaxs_simulation(p_ff_pr6->clone());
//Pyramid
FormFactorPyramid ff_pyr(5.0, 5.0, Units::deg2rad(54.73 ));
- IFormFactor* p_form_factor8 =& ff_pyr;
- run_isgisaxs_simulation(p_form_factor8->clone());
+ IFormFactor* p_ff_pyr =& ff_pyr;
+ run_isgisaxs_simulation(p_ff_pyr->clone());
//Sphere
FormFactorSphere ff_sph(5.0, 5.0);
- IFormFactor* p_form_factor9 =& ff_sph;
- run_isgisaxs_simulation(p_form_factor9->clone());
+ IFormFactor* p_ff_sph =& ff_sph;
+ run_isgisaxs_simulation(p_ff_sph->clone());
// Tetrahedron
- FormFactorTetrahedron ff_tetr(5.0, 5.0, Units::deg2rad(54.73 ));
- IFormFactor* p_form_factor10 =& ff_tetr;
- run_isgisaxs_simulation(p_form_factor10->clone());
+ FormFactorTetrahedron ff_tetr(5.0, 4.0, Units::deg2rad(54.73 ));
+ IFormFactor* p_ff_tetr =& ff_tetr;
+ run_isgisaxs_simulation(p_ff_tetr->clone());
+
+ // Cuboctahedron
+ FormFactorCuboctahedron ff_cuboc(5.0, 5.0, 1.0, Units::deg2rad(54.73 ));
+ IFormFactor* p_ff_cuboc =& ff_cuboc;
+ run_isgisaxs_simulation(p_ff_cuboc->clone());
+
+ // Anisotropic Pyramid
+ FormFactorAnisoPyramid ff_anipyr(10.0, 20.0, 5.0, Units::deg2rad(54.73 ));
+ IFormFactor* p_ff_anipyr =& ff_anipyr;
+ run_isgisaxs_simulation(p_ff_anipyr->clone());
+
+ // Ellipsoidal cylinder
+ FormFactorEllipsoidalCylinder ff_ellipscyl(5.0, 10.0, 5.0);
+ IFormFactor* p_ff_ellipscyl =& ff_ellipscyl;
+ run_isgisaxs_simulation(p_ff_ellipscyl->clone());
+
+ // Full Spheroid
+ FormFactorFullSpheroid ff_fspheroid(5.0, 5.0);
+ IFormFactor* p_ff_fspheroid =& ff_fspheroid;
+ run_isgisaxs_simulation(p_ff_fspheroid->clone());
+
+ // Spheroid
+ FormFactorSpheroid ff_spheroid(5.0, 5.0, 1.0);
+ IFormFactor* p_ff_spheroid =& ff_spheroid;
+ run_isgisaxs_simulation(p_ff_spheroid->clone());
+
+ // Anisotropic HemiEllipsoid
+ FormFactorHemiEllipsoid ff_hellipsoid(5.0, 10.0, 5.0);
+ IFormFactor* p_ff_hellipsoid=& ff_hellipsoid;
+ run_isgisaxs_simulation(p_ff_hellipsoid->clone());
}
@@ -99,9 +131,7 @@ void TestFormFactors::run_isgisaxs_simulation(IFormFactor *p_form_factor)
const IMaterial *particle_material =
MaterialManager::getHomogeneousMaterial("Particle", 6e-4, 2e-8);
- // R=H=5nm W=2R, no rotation of particles angle =54.73deg
- // For Cone6 and prism6 radius = 2./sqrt(3.)R_{IsGiSaXs}
- // Length unit : nanometers
+
//building sample
MultiLayer multi_layer;
@@ -197,8 +227,8 @@ void TestFormFactors::run_isgisaxs_simulation(IFormFactor *p_form_factor)
void TestFormFactors::finalise()
{
- std::vector< CompareStruct > tocompare;
- tocompare.push_back( CompareStruct(getOutputPath()+"isgi_cylinder_BA.ima",
+ std::vector< CompareStruct > tocompare;
+ tocompare.push_back( CompareStruct(getOutputPath()+"isgi_cylinder_BA.ima",
"this_Cylinder_BA.ima",
"Cylinder BA Formfactor"));
@@ -235,6 +265,28 @@ void TestFormFactors::finalise()
"isgi_tetrahedron_BA.ima",
"this_Tetrahedron_BA.ima","Tetrahedron BA Formfactor"));
+ tocompare.push_back( CompareStruct(getOutputPath()+
+ "isgi_cuboctahedron_BA.ima",
+ "this_Cuboctahedron_BA.ima","Cuboctahedron BA Formfactor"));
+
+ tocompare.push_back( CompareStruct(getOutputPath()+
+ "isgi_aniso_pyramid_BA.ima",
+ "this_AnisoPyramid_BA.ima", "AnisoPyramid BA Formfactor"));
+
+ tocompare.push_back( CompareStruct(getOutputPath()+"isgi_ellipsoid_BA.ima",
+ "this_EllipsoidalCylinder_BA.ima","EllipsoidalCylinder BA Formfactor"));
+
+ tocompare.push_back( CompareStruct(getOutputPath()+"isgi_full_spheroid_BA.ima",
+ "this_FullSpheroid_BA.ima", "FullSpheroid BA Formfactor"));
+
+ tocompare.push_back( CompareStruct(getOutputPath()+"isgi_spheroid_BA.ima",
+ "this_Spheroid_BA.ima", "Spheroid BA Formfactor"));
+
+ tocompare.push_back( CompareStruct(getOutputPath()+
+ "isgi_hemi_ellipsoid_BA.ima","this_HemiEllipsoid_BA.ima",
+ "HemiEllipsoid BA Formfactor"));
+
+
const double threshold(2e-10);
for(size_t i=0; i<tocompare.size(); ++i) {
@@ -255,9 +307,10 @@ void TestFormFactors::finalise()
diff+= std::fabs(*it);
}
diff /= our_data->getAllocatedSize();
+
bool status_ok(true);
if( diff > threshold || MathFunctions::isnan(diff) ) status_ok=false;
- std::cout << m_name << tocompare[i].descr<<" " <<
+ std::cout << m_name << tocompare[i].descr<<" " << diff << " " <<
(status_ok ? "[OK]" : "[FAILED]") << std::endl;
delete isgi_data;
diff --git a/Core/FormFactors/inc/FormFactorAnisoPyramid.h b/Core/FormFactors/inc/FormFactorAnisoPyramid.h
new file mode 100644
index 0000000000000000000000000000000000000000..504df1308f590958629982ab662a899012fef73a
--- /dev/null
+++ b/Core/FormFactors/inc/FormFactorAnisoPyramid.h
@@ -0,0 +1,65 @@
+// ************************************************************************** //
+//
+// BornAgain: simulate and fit scattering at grazing incidence
+//
+//! @file FormFactors/inc/FormFactorAnisoPyramid.h
+//! @brief Defines class FormFactorAnisoPyramid
+//!
+//! @homepage http://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 FORMFACTORANISOPYRAMID_H
+#define FORMFACTORANISOPYRAMID_H
+
+#include "IFormFactorBorn.h"
+#include "IStochasticParameter.h"
+
+//! Form factor of an anisotropic pyramid.
+
+class BA_CORE_API_ FormFactorAnisoPyramid : public IFormFactorBorn
+{
+public:
+ //! @brief anisotropic pyramid constructor
+ //! @param height of anisotropic pyramide
+ //! @param length of anisotropic pyramid's base
+ //! @param width of anisotropic pyramid's base
+ //! @param angle in radians between base and facet
+ FormFactorAnisoPyramid(double length, double width, double height, double alpha);
+
+ ~FormFactorAnisoPyramid() {}
+ virtual FormFactorAnisoPyramid *clone() const;
+
+ virtual void accept(ISampleVisitor *visitor) const { visitor->visit(this); }
+
+ virtual int getNumberOfStochasticParameters() const { return 4; }
+
+ virtual double getHeight() const { return m_height; }
+ virtual void setHeight(double height) { m_height = height; }
+
+ virtual double getLength() const { return m_length; }
+ virtual void setLength(double length) { m_length = length; }
+
+ virtual double getWidth() const { return m_width; }
+ virtual void setWidth(double width) { m_width = width; }
+
+ virtual double getAlpha() const { return m_alpha; }
+ virtual void setAlpha(double alpha) { m_alpha = alpha; }
+
+ virtual complex_t evaluate_for_q(const cvector_t& q) const;
+
+protected:
+ virtual void init_parameters();
+
+private:
+ double m_length;
+ double m_width;
+ double m_height;
+ double m_alpha;
+};
+
+#endif // FORMFACTORANISOPYRAMID_H
diff --git a/Core/FormFactors/inc/FormFactorBox.h b/Core/FormFactors/inc/FormFactorBox.h
index adeb14d495cf3655c2c98b939eb0a48b1ed5fb13..f0a01704210b4d416ad436a74ab6ede0b6919a85 100644
--- a/Core/FormFactors/inc/FormFactorBox.h
+++ b/Core/FormFactors/inc/FormFactorBox.h
@@ -27,7 +27,6 @@ public:
FormFactorBox( double length, double width, double height)
: m_length(length), m_width(width), m_height(height) {
-
setName("FormFactorBox");
init_parameters();
}
@@ -52,7 +51,7 @@ public:
virtual complex_t evaluate_for_q(const cvector_t& q) const;
protected:
- void init_parameters();
+ virtual void init_parameters();
private:
double m_length;
diff --git a/Core/FormFactors/inc/FormFactorCone.h b/Core/FormFactors/inc/FormFactorCone.h
index 4ebb18205521035768e07b4e992bbc7ecff81c7b..30bde137bdf9aebb319b01ac1731e185c96e1366 100644
--- a/Core/FormFactors/inc/FormFactorCone.h
+++ b/Core/FormFactors/inc/FormFactorCone.h
@@ -26,8 +26,8 @@ class BA_CORE_API_ FormFactorCone : public IFormFactorBorn
{
public:
//! @brief Cone constructor
- //! @param height of Cone
//! @param radius half of Cone's base
+ //! @param height of Cone
//! @param angle in radians between base and facet
FormFactorCone(double radius, double height, double alpha);
~FormFactorCone() {delete m_integrator;}
diff --git a/Core/FormFactors/inc/FormFactorCone6.h b/Core/FormFactors/inc/FormFactorCone6.h
index 02230939d78cafdca262cfc003be99b65ad33f61..b6275caf793d197f58c944c5f26746b18972c9e7 100644
--- a/Core/FormFactors/inc/FormFactorCone6.h
+++ b/Core/FormFactors/inc/FormFactorCone6.h
@@ -47,8 +47,10 @@ public:
virtual double getAlpha() const { return m_alpha; }
virtual void setAlpha(double alpha) { m_alpha = alpha; }
-protected:
virtual complex_t evaluate_for_q (const cvector_t& q) const;
+
+protected:
+
virtual void init_parameters();
private:
diff --git a/Core/FormFactors/inc/FormFactorCuboctahedron.h b/Core/FormFactors/inc/FormFactorCuboctahedron.h
new file mode 100644
index 0000000000000000000000000000000000000000..789af5445a7ba868d46cce5b7912e392df9e24b8
--- /dev/null
+++ b/Core/FormFactors/inc/FormFactorCuboctahedron.h
@@ -0,0 +1,68 @@
+// ************************************************************************** //
+//
+// BornAgain: simulate and fit scattering at grazing incidence
+//
+//! @file FormFactors/inc/FormFactorCuboctahedron.h
+//! @brief Defines class FormFactorCuboctahedron
+//!
+//! @homepage http://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 FORMFACTORCUBOCTAHEDRON_H
+#define FORMFACTORCUBOCTAHEDRON_H
+
+#include "IFormFactorBorn.h"
+#include "IStochasticParameter.h"
+
+//! Form factor of cuboctahedron.
+
+class BA_CORE_API_ FormFactorCuboctahedron : public IFormFactorBorn
+{
+public:
+ //! @brief cuboctahedron constructor
+ //! @param height of bottom of cuboctahedron
+ //! @param height ratio : height top part/height bottom part
+ //! @param half_side half of cuboctahedron's base
+ //! @param angle in radians between base and facet
+
+ FormFactorCuboctahedron(double half_side, double height,
+ double height_ratio, double alpha);
+
+ ~FormFactorCuboctahedron() {}
+ virtual FormFactorCuboctahedron *clone() const;
+
+ virtual void accept(ISampleVisitor *visitor) const { visitor->visit(this); }
+
+ virtual int getNumberOfStochasticParameters() const { return 4; }
+
+ virtual double getHeight() const { return m_height; }
+ virtual void setHeight(double height) { m_height = height; }
+
+ virtual double getHeightRatio() const { return m_height_ratio; }
+ virtual void setHeightRatio(double height_ratio) { m_height_ratio
+ = height_ratio; }
+
+ virtual double getHalfSide() const { return m_half_side; }
+ virtual void setHalfSide(double half_side) { m_half_side = half_side; }
+
+ virtual double getAlpha() const { return m_alpha; }
+ virtual void setAlpha(double alpha) { m_alpha = alpha; }
+
+ virtual complex_t evaluate_for_q(const cvector_t& q) const;
+
+protected:
+ virtual void init_parameters();
+
+private:
+ double m_height;
+ double m_half_side;
+ double m_height_ratio;
+ double m_alpha;
+};
+
+#endif // FORMFACTORCUBOCTAHEDRON_H
diff --git a/Core/FormFactors/inc/FormFactorEllipsoid.h b/Core/FormFactors/inc/FormFactorEllipsoidalCylinder.h
similarity index 58%
rename from Core/FormFactors/inc/FormFactorEllipsoid.h
rename to Core/FormFactors/inc/FormFactorEllipsoidalCylinder.h
index b48b709e3f5ec9f9c39929a877d72cc68756e277..34779e00ffafb1dcc9d93d3a41cad342deb25bfc 100644
--- a/Core/FormFactors/inc/FormFactorEllipsoid.h
+++ b/Core/FormFactors/inc/FormFactorEllipsoidalCylinder.h
@@ -2,8 +2,8 @@
//
// BornAgain: simulate and fit scattering at grazing incidence
//
-//! @file FormFactors/inc/FormFactorEllipsoid.h
-//! @brief Defines class FormFactorEllipsoid
+//! @file FormFactors/inc/FormFactorEllipsoidalCylinder.h
+//! @brief Defines class FormFactorEllipsoidalCylinder
//!
//! @homepage http://apps.jcns.fz-juelich.de/BornAgain
//! @license GNU General Public License v3 or higher (see COPYING)
@@ -13,41 +13,39 @@
//
// ************************************************************************** //
-#ifndef FORMFACTORELLIPSOID_H
-#define FORMFACTORELLIPSOID_H
+#ifndef FORMFACTORELLIPSOIDALCYLINDER_H
+#define FORMFACTORELLIPSOIDALCYLINDER_H
#include "IFormFactorBorn.h"
#include "IStochasticParameter.h"
-//! Form factor of an ellipsoid.
+//! Form factor of an ellipsoidal cylinder.
-class BA_CORE_API_ FormFactorEllipsoid : public IFormFactorBorn
+class BA_CORE_API_ FormFactorEllipsoidalCylinder : public IFormFactorBorn
{
public:
- FormFactorEllipsoid(double radius, double width,
- double height, double alpha);
- ~FormFactorEllipsoid() {}
- virtual FormFactorEllipsoid *clone() const;
+ FormFactorEllipsoidalCylinder(double radius, double width,
+ double height);
+ ~FormFactorEllipsoidalCylinder() {}
+ virtual FormFactorEllipsoidalCylinder *clone() const;
virtual void accept(ISampleVisitor *visitor) const { visitor->visit(this); }
- virtual int getNumberOfStochasticParameters() const { return 2; }
+ virtual int getNumberOfStochasticParameters() const { return 3; }
- //! Returns radius of Ellipsoid
double getRadius() const { return m_radius; }
+ virtual void setRadius(double radius) { m_radius = radius; }
- //! Returns width of Ellipsoid
- double getWidth() const { return m_width; }
-
- // virtual double getVolume() const {
- // return 2.0*m_height*m_radius*m_width;
- // }
+ virtual double getWidth() const { return m_width; }
+ virtual void setWidth(double width) { m_width = width; }
virtual double getHeight() const { return m_height; }
+ virtual void setHeight(double height) { m_height = height; }
virtual complex_t evaluate_for_q(const cvector_t& q) const;
protected:
+
//! Registers some class members for later access via parameter pool
virtual void init_parameters();
@@ -55,9 +53,9 @@ private:
double m_radius;
double m_width;
double m_height;
- double m_alpha;
+
};
-#endif // FORMFACTORELLIPSOID_H
+#endif // FORMFACTORELLIPSOIDALCYLINDER_H
diff --git a/Core/FormFactors/inc/FormFactorFullSpheroid.h b/Core/FormFactors/inc/FormFactorFullSpheroid.h
index bd516444a9a485dc16d5e90eef90a820e59e11b7..b2753b09d19cc922d6b0ff74737668623a84a332 100644
--- a/Core/FormFactors/inc/FormFactorFullSpheroid.h
+++ b/Core/FormFactors/inc/FormFactorFullSpheroid.h
@@ -18,15 +18,21 @@
#include "IFormFactorBorn.h"
#include "IStochasticParameter.h"
+#include "MemberComplexFunctionIntegrator.h"
-//! Formfactor of a spheroid
+//! Formfactor of a full spheroid
class BA_CORE_API_ FormFactorFullSpheroid : public IFormFactorBorn
{
public:
+ //! @brief Full spheroid constructor
+ //! @param radius of spheroid
+ //! @param height of spheroid
+
FormFactorFullSpheroid(double radius, double height);
- //double FullSpheroidIntegral(double Z, void* params) const;
- ~FormFactorFullSpheroid() {}
+
+ ~FormFactorFullSpheroid() {delete m_integrator;}
+
virtual FormFactorFullSpheroid *clone() const;
virtual void accept(ISampleVisitor *visitor) const { visitor->visit(this); }
@@ -40,19 +46,17 @@ public:
virtual complex_t evaluate_for_q(const cvector_t& q) const;
protected:
- //virtual complex_t evaluate_for_q(const cvector_t& q) const;
virtual void init_parameters();
private:
- /*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;*/
+
+ complex_t Integrand(double Z, void* params) const;
double m_radius;
double m_height;
+ mutable cvector_t m_q;
- //mutable cvector_t m_q;
+ MemberComplexFunctionIntegrator<FormFactorFullSpheroid> *m_integrator;
};
#endif // FORMFACTORFULLSPHEROID_H
diff --git a/Core/FormFactors/inc/FormFactorHemiEllipsoid.h b/Core/FormFactors/inc/FormFactorHemiEllipsoid.h
new file mode 100644
index 0000000000000000000000000000000000000000..7dfb705f5b3740459d03b73111da7417a43670ad
--- /dev/null
+++ b/Core/FormFactors/inc/FormFactorHemiEllipsoid.h
@@ -0,0 +1,69 @@
+// ************************************************************************** //
+//
+// BornAgain: simulate and fit scattering at grazing incidence
+//
+//! @file FormFactors/inc/FormFactorHemiEllipsoid.h
+//! @brief Defines class FormFactorHemiEllipsoid.
+//!
+//! @homepage http://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 FORMFACTORHEMIELLIPSOID_H
+#define FORMFACTORHEMIELLIPSOID_H
+
+#include "IFormFactorBorn.h"
+#include "IStochasticParameter.h"
+#include "MemberComplexFunctionIntegrator.h"
+
+//! Form factor of an hemi ellipsoid
+
+class BA_CORE_API_ FormFactorHemiEllipsoid : public IFormFactorBorn
+{
+public:
+ //! @brief Hemi ellipsoid constructor
+ //! @param height of hemi ellipsoid
+ //! @param radius_a: half length of one horizontal main axes
+ //! @param radius_b: half length of the other horizontal main axes
+
+ FormFactorHemiEllipsoid(double radius_a, double radius_b, double height);
+
+ ~FormFactorHemiEllipsoid() {delete m_integrator;}
+
+ virtual FormFactorHemiEllipsoid* clone() const;
+
+ virtual void accept(ISampleVisitor *visitor) const { visitor->visit(this); }
+
+ virtual int getNumberOfStochasticParameters() const { return 3; }
+
+ virtual double getHeight() const { return m_height; }
+
+ virtual double getRadiusA() const { return m_radius_a; }
+
+ virtual double getRadiusB() const { return m_radius_b; }
+
+ virtual complex_t evaluate_for_q (const cvector_t& q) const;
+
+protected:
+ virtual void init_parameters();
+
+private:
+
+ complex_t Integrand(double Z, void* params) const;
+
+ double m_radius_a;
+ double m_radius_b;
+ double m_height;
+ mutable cvector_t m_q;
+
+ MemberComplexFunctionIntegrator<FormFactorHemiEllipsoid> *m_integrator;
+
+};
+
+#endif // FORMFACTORHEMIELLIPSOID_H
+
+
diff --git a/Core/FormFactors/inc/FormFactorHemiSpheroid.h b/Core/FormFactors/inc/FormFactorHemiSpheroid.h
deleted file mode 100644
index 198c44a75dcfb422baacf25adde8eef87bfa1934..0000000000000000000000000000000000000000
--- a/Core/FormFactors/inc/FormFactorHemiSpheroid.h
+++ /dev/null
@@ -1,63 +0,0 @@
-// ************************************************************************** //
-//
-// BornAgain: simulate and fit scattering at grazing incidence
-//
-//! @file FormFactors/inc/FormFactorHemiSpheroid.h
-//! @brief Defines class FormFactorHemiSpheroid.
-//!
-//! @homepage http://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 FORMFACTORHEMISPHEROID_H
-#define FORMFACTORHEMISPHEROID_H
-
-#include "IFormFactorBorn.h"
-#include "IStochasticParameter.h"
-
-//! Form factor of a ??
-
-class BA_CORE_API_ FormFactorHemiSpheroid : public IFormFactorBorn
-{
-public:
- //! @brief Cone constructor
- //! @param height of Cone
- //! @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 void accept(ISampleVisitor *visitor) const { visitor->visit(this); }
-
- 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:
- double evaluate_for_q_real() const;
- double evaluate_for_q_imag() const;
- double HemiSpheroidIntegralReal(double Z, void* params) const;
-
- double HemiSpheroidIntegralImaginary(double Z, void* params) const;
-
- virtual void init_parameters();
-
- double m_radius;
- double m_width;
- double m_height;
- mutable cvector_t m_q;
-};
-
-#endif // FormFactorHemiSpheroid_H
-
-
diff --git a/Core/FormFactors/inc/FormFactorSpheroid.h b/Core/FormFactors/inc/FormFactorSpheroid.h
new file mode 100644
index 0000000000000000000000000000000000000000..b6e39d6e65ba22fdcccd7e5a16f9e49b9bcde3bb
--- /dev/null
+++ b/Core/FormFactors/inc/FormFactorSpheroid.h
@@ -0,0 +1,68 @@
+// ************************************************************************** //
+//
+// BornAgain: simulate and fit scattering at grazing incidence
+//
+//! @file FormFactors/inc/FormFactorSpheroid.h
+//! @brief Defines class FormFactorSpheroid.
+//!
+//! @homepage http://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 FORMFACTORSPHEROID_H
+#define FORMFACTORSPHEROID_H
+
+#include "IFormFactorBorn.h"
+#include "IStochasticParameter.h"
+#include "MemberComplexFunctionIntegrator.h"
+
+//! Formfactor of a spheroid
+
+class BA_CORE_API_ FormFactorSpheroid : public IFormFactorBorn
+{
+public:
+ //! @brief Spheroid constructor
+ //! @param radius of spheroid
+ //! @param height of spheroid
+ //! @param flattening parameter in vertical direction (full height: 2 x flattening x radius)
+
+ FormFactorSpheroid(double radius, double height, double height_flattening);
+
+ ~FormFactorSpheroid() {delete m_integrator;}
+
+ virtual FormFactorSpheroid *clone() const;
+
+ virtual void accept(ISampleVisitor *visitor) const { visitor->visit(this); }
+
+ virtual int getNumberOfStochasticParameters() const { return 3; }
+
+ virtual double getHeight() const { return m_height; }
+
+ virtual double getRadius() const { return m_radius; }
+
+ virtual double getHeightFullSpheroid() const
+ { return 2.*m_height_flattening*m_radius; }
+
+ virtual complex_t evaluate_for_q(const cvector_t& q) const;
+
+protected:
+ virtual void init_parameters();
+
+private:
+
+ complex_t Integrand(double Z, void* params) const;
+
+ double m_radius;
+ double m_height;
+ double m_height_flattening;
+ mutable cvector_t m_q;
+
+ MemberComplexFunctionIntegrator<FormFactorSpheroid> *m_integrator;
+};
+
+
+#endif // FORMFACTORSPHEROID_H
diff --git a/Core/FormFactors/inc/FormFactorTetrahedron.h b/Core/FormFactors/inc/FormFactorTetrahedron.h
index 93acaffd1b323096795339e1ffb99bbd4abeb778..72135b68ef78e85c9cf65d19734b3eaade6487e7 100644
--- a/Core/FormFactors/inc/FormFactorTetrahedron.h
+++ b/Core/FormFactors/inc/FormFactorTetrahedron.h
@@ -56,15 +56,11 @@ protected:
private:
- //complex_t Integrand(double Z, void* params) const;
-
double m_height;
double m_half_side;
double m_alpha;
double m_root3; // Cached value of square root of 3
- // mutable cvector_t m_q;
- // MemberComplexFunctionIntegrator<FormFactorTetrahedron> *m_integrator;
};
#endif // FORMFACTORTETRAHEDRON_H
diff --git a/Core/FormFactors/inc/FormFactors.h b/Core/FormFactors/inc/FormFactors.h
index b9eb79c1a5ca0eeca5f2f1654ee9cb69baf7f555..c59f804d51fd58d9bcf04e6f61a8bb4ff92ab13d 100644
--- a/Core/FormFactors/inc/FormFactors.h
+++ b/Core/FormFactors/inc/FormFactors.h
@@ -16,10 +16,12 @@
#ifndef FORMFACTORS_H_
#define FORMFACTORS_H_
+#include "FormFactorAnisoPyramid.h"
#include "FormFactorBox.h"
#include "FormFactorCone.h"
#include "FormFactorCone6.h"
#include "FormFactorCrystal.h"
+#include "FormFactorCuboctahedron.h"
#include "FormFactorCylinder.h"
#include "FormFactorDecoratorDebyeWaller.h"
#include "FormFactorDecoratorFactor.h"
@@ -31,17 +33,18 @@
#include "FormFactorDWBAConstZ.h"
#include "FormFactorDWBAPol.h"
#include "FormFactorDWBAPolConstZ.h"
-#include "FormFactorEllipsoid.h"
+#include "FormFactorEllipsoidalCylinder.h"
#include "FormFactorFullSphere.h"
#include "FormFactorFullSpheroid.h"
#include "FormFactorGauss.h"
-#include "FormFactorHemiSpheroid.h"
+#include "FormFactorHemiEllipsoid.h"
#include "FormFactorLorentz.h"
#include "FormFactorParallelepiped.h"
#include "FormFactorPrism3.h"
#include "FormFactorPrism6.h"
#include "FormFactorPyramid.h"
#include "FormFactorSphere.h"
+#include "FormFactorSpheroid.h"
#include "FormFactorSphereGaussianRadius.h"
#include "FormFactorTetrahedron.h"
#include "FormFactorWeighted.h"
diff --git a/Core/FormFactors/inc/IFormFactorDecorator.h b/Core/FormFactors/inc/IFormFactorDecorator.h
index e560c04da0579f76cf0dbff880073196e22a5d80..9237229afb7dc1a4d90adcc62cbac30a08237fda 100644
--- a/Core/FormFactors/inc/IFormFactorDecorator.h
+++ b/Core/FormFactors/inc/IFormFactorDecorator.h
@@ -3,7 +3,7 @@
// BornAgain: simulate and fit scattering at grazing incidence
//
//! @file FormFactors/inc/IFormFactorDecorator.h
-//! @brief Defines pure vurtual interface class IFormFactorDecorator.
+//! @brief Defines pure virtual interface class IFormFactorDecorator.
//!
//! @homepage http://apps.jcns.fz-juelich.de/BornAgain
//! @license GNU General Public License v3 or higher (see COPYING)
diff --git a/Core/FormFactors/src/FormFactorAnisoPyramid.cpp b/Core/FormFactors/src/FormFactorAnisoPyramid.cpp
new file mode 100644
index 0000000000000000000000000000000000000000..78e5b66bb755bb83ed2519d10fba3f7ea8043d81
--- /dev/null
+++ b/Core/FormFactors/src/FormFactorAnisoPyramid.cpp
@@ -0,0 +1,161 @@
+// ************************************************************************** //
+//
+// BornAgain: simulate and fit scattering at grazing incidence
+//
+//! @file FormFactors/src/FormFactorAnisoPyramid.cpp
+//! @brief Implements class FormFactorAnisoPyramid.
+//!
+//! @homepage http://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 "FormFactorAnisoPyramid.h"
+#include "StochasticDiracDelta.h"
+#include "MathFunctions.h"
+
+FormFactorAnisoPyramid::FormFactorAnisoPyramid(
+ double length, double width, double height, double alpha)
+{
+ setName("FormFactorAnisoPyramid");
+ m_length = length;
+ m_width = width;
+ m_height = height;
+ m_alpha = alpha;
+ assert(2.*m_height <= std::min(m_length, m_width)*std::tan(m_alpha));
+ init_parameters();
+}
+
+void FormFactorAnisoPyramid::init_parameters()
+{
+ clearParameterPool();
+ registerParameter("length", &m_length);
+ registerParameter("width", &m_width);
+ registerParameter("height", &m_height);
+ registerParameter("alpha", &m_alpha);
+}
+
+FormFactorAnisoPyramid* FormFactorAnisoPyramid::clone() const
+{
+ FormFactorAnisoPyramid *result =
+ new FormFactorAnisoPyramid(m_length, m_width, m_height, m_alpha);
+ result->setName(getName());
+ return result;
+}
+
+complex_t FormFactorAnisoPyramid::evaluate_for_q(const cvector_t& q) const
+{
+ double H = m_height;
+ double L = m_length;
+ double W = m_width;
+ double tga = std::tan(m_alpha);
+
+ complex_t qx = q.x();
+ complex_t qy = q.y();
+ complex_t qz = q.z();
+
+ complex_t F;
+ const complex_t im(0,1);
+
+ if( std::abs(qx) > Numeric::double_epsilon
+ && std::abs(qy) > Numeric::double_epsilon ) {
+ // General case
+ complex_t q1, q2, q3, q4;
+ q1=(H/2.)*((qx-qy)/tga + qz);
+ q2=(H/2.)*((qx-qy)/tga - qz);
+ q3=(H/2.)*((qx+qy)/tga + qz);
+ q4=(H/2.)*((qx+qy)/tga - qz);
+ complex_t K1,K2,K3,K4;
+ K1 = MathFunctions::Sinc(q1)*std::exp(im*q1)
+ + MathFunctions::Sinc(q2)*std::exp(-im*q2);
+ K2 = -MathFunctions::Sinc(q1)*std::exp(im*q1)*im
+ + MathFunctions::Sinc(q2)*std::exp(-im*q2)*im;
+ K3 = MathFunctions::Sinc(q3)*std::exp(im*q3)
+ + MathFunctions::Sinc(q4)*std::exp(-im*q4);
+ K4 = -MathFunctions::Sinc(q3)*std::exp(im*q3)*im
+ + MathFunctions::Sinc(q4)*std::exp(-im*q4)*im;
+ F = K1*std::cos( (qx*L-qy*W)/2. ) + K2*std::sin( (qx*L-qy*W)/2. )
+ - K3*std::cos( (qx*L+qy*W)/2. ) - K4*std::sin( (qx*L+qy*W)/2. );
+ F = F*H/(qx*qy);
+ } else if(std::abs(qx) <= Numeric::double_epsilon
+ && std::abs(qy) <= Numeric::double_epsilon) {
+
+ if (std::abs(qz) <= Numeric::double_epsilon) {
+ //Volume qx=qy=qz=0
+ F = L*W*H - (L + W)*H*H/tga + 4.0/3.0*H*H*H/(tga*tga);
+ } else {
+ //qx=0 qy=0 qz!=0
+ F=im*(
+ - 8.0/std::pow(tga,2) - 2.0*im*qz*(L+W)/tga + std::pow(qz,2)*L*W
+ - std::exp(im*H*qz)*(L*W*qz*qz - 2.0*(L+W)*qz/tga*(H*qz+im)
+ + 4.0*(std::pow(qz*H,2)+2.0*im*qz*H-2.0)/std::pow(tga,2))
+ )/std::pow(qz,3);
+ }
+
+ } else {
+
+ complex_t qxy, q5, q6;
+ double R0, Rxy;
+ if(std::abs(qy) <= Numeric::double_epsilon
+ && std::abs(qx) > Numeric::double_epsilon) {
+ // qx!=0 qy=0
+ qxy=qx;
+ Rxy = L/2.0;
+ R0 = W/2.0;
+ } else {
+ // qy!=0 qx=0
+ qxy=qy;
+ R0 = L/2.0;
+ Rxy = W/2.0;
+ }
+
+ q5 = (qz - qxy/tga)/2.;
+ q6 = (qz + qxy/tga)/2.;
+
+ if (std::abs(q5) <= Numeric::double_epsilon) {
+ //q5 = 0, q6!=0
+ F= -2.0*H*im/qxy*(
+ (R0 - H/(2.0*tga))*std::exp(im*qxy*Rxy)
+ - std::exp(im*q6*H-im*qxy*Rxy)*
+ ( R0*MathFunctions::Sinc(q6*H)
+ + im*( std::exp(im*q6*H)
+ - MathFunctions::Sinc(q6*H) )/(2.0*q6*tga))
+ );
+
+ } else {
+
+ if (std::abs(q6) <= Numeric::double_epsilon) {
+
+ //q5!= 0, q6=0
+ F=-2.0*H*im/qxy*(
+ std::exp(im*q5*H+im*qxy*Rxy)*
+ ( R0*MathFunctions::Sinc(q5*H)
+ + im*( std::exp(im*q5*H)
+ - MathFunctions::Sinc(q5*H) )/(2.0*q5*tga))
+ +(H/(2.0*tga)-R0)*std::exp(-im*qxy*Rxy)
+ );
+
+ } else {
+
+ //q5!= 0, q6!=0
+ F=-2.0*H*im/qxy*(
+ std::exp(im*q5*H+im*qxy*Rxy)*
+ (R0*MathFunctions::Sinc(q5*H)
+ + im*( std::exp(im*q5*H)
+ - MathFunctions::Sinc(q5*H) )/(2.0*q5*tga))
+ - std::exp(im*q6*H-im*qxy*Rxy)
+ *(R0*MathFunctions::Sinc(q6*H)
+ + im*( std::exp(im*q6*H)
+ - MathFunctions::Sinc(q6*H))/(2.0*q6*tga))
+ );
+ }
+}
+}
+ return F;
+}
+
+
+
diff --git a/Core/FormFactors/src/FormFactorCone.cpp b/Core/FormFactors/src/FormFactorCone.cpp
index bd86473c33c05ff96715a0fed12c67e14b2bf314..a6e4412dbade873765fc64f93635c62f0e4b0e25 100644
--- a/Core/FormFactors/src/FormFactorCone.cpp
+++ b/Core/FormFactors/src/FormFactorCone.cpp
@@ -21,18 +21,13 @@
#include "MemberFunctionIntegrator.h"
#include "MemberComplexFunctionIntegrator.h"
-//#include "IStochasticParameter.h"
-//#include "IFormFactorBorn.h"
-//#include "Units.h"
-//#include "Exceptions.h"
-//#include <iostream>
-
FormFactorCone::FormFactorCone(double radius, double height, double alpha)
{
setName("FormFactorCone");
m_radius = radius;
m_height = height;
m_alpha = alpha;
+ assert(m_height <= m_radius*std::tan(m_alpha));
init_parameters();
MemberComplexFunctionIntegrator<FormFactorCone>::mem_function p_mf =
@@ -79,12 +74,15 @@ complex_t FormFactorCone::evaluate_for_q(const cvector_t& q) const
double H = m_height;
double tga = std::tan(m_alpha);
double HdivRtga = H/tga/R;
+
return M_PI/3.0*tga*R*R*R*
(1.0 - (1.0 - HdivRtga)*(1.0 - HdivRtga)*(1.0 - HdivRtga));
- }
- else {
- complex_t integral = m_integrator->integrate(0., m_height);
- return 2.0*M_PI*integral;
+
+ } else {
+
+ complex_t integral = m_integrator->integrate(0., m_height);
+
+ return 2.0*M_PI*integral;
}
}
diff --git a/Core/FormFactors/src/FormFactorCone6.cpp b/Core/FormFactors/src/FormFactorCone6.cpp
index 57b0ed7665a1daf609bbc93d505f9cbd15a95ea7..ad7826be40a9914d161d8a7462e4356ab0aab164 100644
--- a/Core/FormFactors/src/FormFactorCone6.cpp
+++ b/Core/FormFactors/src/FormFactorCone6.cpp
@@ -29,6 +29,7 @@ FormFactorCone6::FormFactorCone6(double radius, double height, double alpha)
m_height = height;
m_alpha = alpha;
m_root3 = std::sqrt(3.0);
+ assert(m_height <= m_radius*std::tan(m_alpha));
init_parameters();
MemberComplexFunctionIntegrator<FormFactorCone6>::mem_function p_mf =
@@ -91,13 +92,15 @@ complex_t FormFactorCone6::evaluate_for_q(const cvector_t& q) const
double H = m_height;
double tga = std::tan(m_alpha);
double HdivRtga = 2./m_root3*H/tga/R;
+
return 3.0/4.0*tga*R*R*R*
(1.0 - (1.0 - HdivRtga)*(1.0 - HdivRtga)*(1.0 - HdivRtga));
- }
- else {
- complex_t integral = m_integrator->integrate(0., m_height);
- return 4.0*m_root3/(3.0*m_q.y()*m_q.y()-m_q.x()*m_q.x())*integral;
+ } else {
+
+ complex_t integral = m_integrator->integrate(0., m_height);
+
+ return 4.0*m_root3/(3.0*m_q.y()*m_q.y()-m_q.x()*m_q.x())*integral;
}
}
diff --git a/Core/FormFactors/src/FormFactorCuboctahedron.cpp b/Core/FormFactors/src/FormFactorCuboctahedron.cpp
new file mode 100644
index 0000000000000000000000000000000000000000..37c98cc40f11f4bc7229a1276d90a952361f5131
--- /dev/null
+++ b/Core/FormFactors/src/FormFactorCuboctahedron.cpp
@@ -0,0 +1,139 @@
+// ************************************************************************** //
+//
+// BornAgain: simulate and fit scattering at grazing incidence
+//
+//! @file FormFactors/src/FormFactorCuboctahedron.cpp
+//! @brief Implements class FormFactorCuboctahedron.
+//!
+//! @homepage http://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 "FormFactorCuboctahedron.h"
+#include "FormFactorPyramid.h"
+#include "StochasticDiracDelta.h"
+#include "MathFunctions.h"
+
+FormFactorCuboctahedron::FormFactorCuboctahedron(
+ double half_side, double height, double height_ratio, double alpha)
+{
+ setName("FormFactorCuboctahedron");
+ m_height = height;
+ m_half_side = half_side;
+ m_height_ratio = height_ratio;
+ m_alpha = alpha;
+ assert(m_height <= m_half_side*std::tan(m_alpha)*std::min(1.,1.0/m_height_ratio));
+ init_parameters();
+}
+
+void FormFactorCuboctahedron::init_parameters()
+{
+ clearParameterPool();
+ registerParameter("height", &m_height);
+ registerParameter("height_ratio", &m_height_ratio);
+ registerParameter("half_side", &m_half_side);
+ registerParameter("alpha", &m_alpha);
+}
+
+FormFactorCuboctahedron* FormFactorCuboctahedron::clone() const
+{
+ FormFactorCuboctahedron *result =
+ new FormFactorCuboctahedron(m_half_side, m_height,
+ m_height_ratio, m_alpha);
+ result->setName(getName());
+ return result;
+}
+
+complex_t FormFactorCuboctahedron::evaluate_for_q(const cvector_t& q) const
+{
+ double H = m_height;
+ double R = m_half_side;
+ double rh = m_height_ratio;
+ //double tga = std::tan(m_alpha);
+
+ complex_t qx = q.x();
+ complex_t qy = q.y();
+ complex_t qz = q.z();
+
+ FormFactorPyramid fftop(rh*H,R, m_alpha);
+ complex_t ffhigh = fftop.evaluate_for_q(q);
+ FormFactorPyramid ffbottom(H,R, m_alpha);
+ cvector_t downq(qx,qy,-qz);
+ complex_t fflow = ffbottom.evaluate_for_q(downq);
+ const complex_t im(0,1);
+
+ /* complex_t F;
+ if( std::abs(qx) > Numeric::double_epsilon && std::abs(qy) > Numeric::double_epsilon ) {
+ complex_t q1t, q2t, q3t, q4t;
+ q1t=(rh*H/2.)*((qx-qy)/tga + qz);
+ q2t=(rh*H/2.)*((qx-qy)/tga - qz);
+ q3t=(rh*H/2.)*((qx+qy)/tga + qz);
+ q4t=(rh*H/2.)*((qx+qy)/tga - qz);
+ complex_t K1t,K2t,K3t,K4t;
+
+ K1t = MathFunctions::Sinc(q1t)*std::exp(im*q1t) + MathFunctions::Sinc(q2t)*std::exp(-im*q2t);
+ K2t = -MathFunctions::Sinc(q1t)*std::exp(im*q1t)*im + MathFunctions::Sinc(q2t)*std::exp(-im*q2t)*im;
+ K3t = MathFunctions::Sinc(q3t)*std::exp(im*q3t) + MathFunctions::Sinc(q4t)*std::exp(-im*q4t);
+ K4t = -MathFunctions::Sinc(q3t)*std::exp(im*q3t)*im + MathFunctions::Sinc(q4t)*std::exp(-im*q4t)*im;
+
+ complex_t q1b, q2b, q3b, q4b;
+ q1b=(H/2.)*((qx-qy)/tga - qz);
+ q2b=(H/2.)*((qx-qy)/tga + qz);
+ q3b=(H/2.)*((qx+qy)/tga - qz);
+ q4b=(H/2.)*((qx+qy)/tga + qz);
+ complex_t K1b,K2b,K3b,K4b;
+
+ K1b = MathFunctions::Sinc(q1b)*std::exp(im*q1b) + MathFunctions::Sinc(q2b)*std::exp(-im*q2b);
+ K2b = -MathFunctions::Sinc(q1b)*std::exp(im*q1b)*im + MathFunctions::Sinc(q2b)*std::exp(-im*q2b)*im;
+ K3b = MathFunctions::Sinc(q3b)*std::exp(im*q3b) + MathFunctions::Sinc(q4b)*std::exp(-im*q4b);
+ K4b = -MathFunctions::Sinc(q3b)*std::exp(im*q3b)*im + MathFunctions::Sinc(q4b)*std::exp(-im*q4b)*im;
+
+ F = (K1t+K1b)*std::cos( (qx-qy)*R ) + (K2t+K2b)*std::sin( (qx-qy)*R )
+ - (K3t+K3b)*std::cos( (qx+qy)*R) - (K4t+K4b)*std::sin( (qx+qy)*R );
+
+ F = F*H/(qx*qy);
+ } else if(std::abs(qx) <= Numeric::double_epsilon && std::abs(qy) <= Numeric::double_epsilon) {
+ if (std::abs(qz) <= Numeric::double_epsilon)
+ F = 4./3.*tga*R*R*R*( 2.-
+ (1. - H/R/tga)*(1. - H/R/tga)*(1. - H/R/tga)
+ - (1. - rh*H/R/tga)*(1. - rh*H/R/tga)*(1. - rh*H/R/tga)
+ );
+ else
+ F=4.*im*(
+ + 2.*qz*qz*R*R - std::exp(im*rh*H*qz)
+ * ((-1.+im + rh*H*qz)/tga - qz*R)
+ *((1.+im + rh*H*qz)/tga - qz*R)
+ - std::exp(-im*H*qz)
+ * ((-1.+im - H*qz)/tga + qz*R)
+ *((1.+im - H*qz)/tga + qz*R)
+ )/std::pow(qz,3);
+ } else {
+ complex_t qxy;
+ if(std::abs(qy) <= Numeric::double_epsilon && std::abs(qx) > Numeric::double_epsilon) {
+ qxy=qx;
+ } else{
+ qxy=qy;
+ }
+ F=(4.*(qxy*tga*(-(qxy*qxy*R) + qz*tga*(-2.0*im + qz*R*tga))*std::cos(qxy*R) -
+ std::exp(im*rh*H*qz)*qxy*(rh*H*std::pow(qxy,2) - qxy*qxy*R*tga - qz*(2.0*im + rh*H*qz)*std::pow(tga,2) +
+ std::pow(qz,2)*R*std::pow(tga,3))*std::cos(qxy*(R - rh*H/tga)) +
+ tga*(std::pow(qxy,2)*(1. - im*qz*R*tga) + std::pow(qz,2)*std::pow(tga,2)*(1. + im*qz*R*tga))*
+ std::sin(qxy*R) + im*std::exp(im*rh*H*qz)*tga*
+ (std::pow(qz,2)*std::pow(tga,2)*(im + rh*H*qz - qz*R*tga) +
+ std::pow(qxy,2)*(im - rh*H*qz + qz*R*tga))*std::sin(qxy*(R - rh*H/tga)))
+
+ +4.*(qxy*tga*(-(qxy*qxy*R) + qz*tga*(2.0*im + qz*R*tga))*std::cos(qxy*R) -
+ std::exp(-im*H*qz)*qxy*(H*std::pow(qxy,2) - qxy*qxy*R*tga + qz*(2.0*im - H*qz)*std::pow(tga,2) +
+ std::pow(qz,2)*R*std::pow(tga,3))*std::cos(qxy*(R - H/tga)) +
+ tga*(std::pow(qxy,2)*(1. + im*qz*R*tga) + std::pow(qz,2)*std::pow(tga,2)*(1. - im*qz*R*tga))*
+ std::sin(qxy*R) + im*std::exp(-im*H*qz)*tga*
+ (std::pow(qz,2)*std::pow(tga,2)*(im - H*qz + qz*R*tga) +
+ std::pow(qxy,2)*(im + H*qz - qz*R*tga))*std::sin(qxy*(R - H/tga)))
+ )/(qxy*std::pow(qxy - qz*tga,2)*std::pow(qxy + qz*tga,2));
+ }*/
+ return std::exp(im*qz*H)*(ffhigh + fflow)/*F*/;
+}
diff --git a/Core/FormFactors/src/FormFactorEllipsoid.cpp b/Core/FormFactors/src/FormFactorEllipsoidalCylinder.cpp
similarity index 50%
rename from Core/FormFactors/src/FormFactorEllipsoid.cpp
rename to Core/FormFactors/src/FormFactorEllipsoidalCylinder.cpp
index dd2bfbcdb5b9c57d3f0291eae5676d64d8b2b6ca..ae8fb5ce5a0694b53dac0be56a9cfa91b877a145 100644
--- a/Core/FormFactors/src/FormFactorEllipsoid.cpp
+++ b/Core/FormFactors/src/FormFactorEllipsoidalCylinder.cpp
@@ -2,8 +2,8 @@
//
// BornAgain: simulate and fit scattering at grazing incidence
//
-//! @file FormFactors/src/FormFactorEllipsoid.cpp
-//! @brief Implements class FormFactorEllipsoid.
+//! @file FormFactors/src/FormFactorEllipsoidalCylinder.cpp
+//! @brief Implements class FormFactorEllipsoidalCylinder.
//!
//! @homepage http://apps.jcns.fz-juelich.de/BornAgain
//! @license GNU General Public License v3 or higher (see COPYING)
@@ -13,49 +13,46 @@
//
// ************************************************************************** //
-#include "FormFactorEllipsoid.h"
+#include "FormFactorEllipsoidalCylinder.h"
#include "MathFunctions.h"
-FormFactorEllipsoid::FormFactorEllipsoid(double radius, double width,
- double height, double alpha)
+FormFactorEllipsoidalCylinder::FormFactorEllipsoidalCylinder(double radius,
+ double width,
+ double height)
{
- setName("FormFactorEllipsoid");
+ setName("FormFactorEllipsoidalCylinder");
m_height = height;
m_radius = radius;
m_width = width;
- m_alpha = alpha;
init_parameters();
}
-FormFactorEllipsoid* FormFactorEllipsoid::clone() const
+FormFactorEllipsoidalCylinder* FormFactorEllipsoidalCylinder::clone() const
{
- return new FormFactorEllipsoid(m_radius, m_width, m_height, m_alpha );
+ return new FormFactorEllipsoidalCylinder(m_radius, m_width, m_height);
}
-complex_t FormFactorEllipsoid::evaluate_for_q(const cvector_t& q) const
+complex_t FormFactorEllipsoidalCylinder::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 Fz = std::exp(complex_t(0.0, 1.0)*qzHdiv2)
+ *MathFunctions::Sinc(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;
+ complex_t J1_gamma_div_gamma = MathFunctions::Bessel_C1(std::abs(gamma));
+
+ return 2.*M_PI *m_radius*m_width*m_height * Fz*J1_gamma_div_gamma;
- return M_PI * getVolume() * phase_factor *
- J1_gamma_div_gamma * MathFunctions::Sinc(qzHdiv2);
}
-void FormFactorEllipsoid::init_parameters()
+void FormFactorEllipsoidalCylinder::init_parameters()
{
clearParameterPool();
registerParameter("radius", &m_radius);
registerParameter("width", & m_width);
registerParameter("height", &m_height);
- registerParameter("alpha" , &m_alpha);
}
diff --git a/Core/FormFactors/src/FormFactorFullSpheroid.cpp b/Core/FormFactors/src/FormFactorFullSpheroid.cpp
index 7e44a8b499e97d982c555e69c5aff8c957711387..5c9460f7ab6f5ace7bff1194f1a99be3ea717abc 100644
--- a/Core/FormFactors/src/FormFactorFullSpheroid.cpp
+++ b/Core/FormFactors/src/FormFactorFullSpheroid.cpp
@@ -16,8 +16,9 @@
#include "FormFactorFullSpheroid.h"
#include "StochasticDiracDelta.h"
#include "MathFunctions.h"
-//#include "Numeric.h"
+#include "Numeric.h"
#include "MemberFunctionIntegrator.h"
+#include "MemberComplexFunctionIntegrator.h"
FormFactorFullSpheroid::FormFactorFullSpheroid(double radius, double height )
{
@@ -25,6 +26,11 @@ FormFactorFullSpheroid::FormFactorFullSpheroid(double radius, double height )
m_radius = radius;
m_height = height;
init_parameters();
+
+ MemberComplexFunctionIntegrator<FormFactorFullSpheroid>::mem_function p_mf =
+ & FormFactorFullSpheroid::Integrand;
+ m_integrator =
+ new MemberComplexFunctionIntegrator<FormFactorFullSpheroid>(p_mf, this);
}
void FormFactorFullSpheroid::init_parameters()
@@ -42,57 +48,41 @@ FormFactorFullSpheroid* FormFactorFullSpheroid::clone() const
return result;
}
+//! Integrand for complex formfactor.
+complex_t FormFactorFullSpheroid::Integrand(double Z, void* params) const
+{
+ (void)params; // to avoid unused-variable warning
+ double R = m_radius;
+ double H = m_height;
+
+ double Rz = R*std::sqrt(1-4.0*Z*Z/(H*H));
+ complex_t qrRz = m_q.magxy()*Rz;
+
+ complex_t J1_qrRz_div_qrRz = MathFunctions::Bessel_C1(std::abs(qrRz));
+
+ return Rz*Rz* J1_qrRz_div_qrRz *std::cos(m_q.z()*Z);
+}
+
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 = q.z();
- complex_t qx = q.x();
- complex_t qy = q.y();
- 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);
-
- /*MemberFunctionIntegrator<FormFactorFullSpheroid>::mem_function p_mf =
- & FormFactorFullSpheroid::FullSpheroidIntegral;
- MemberFunctionIntegrator<FormFactorFullSpheroid> integrator(p_mf,this);*/
-
- if (std::abs(qx) <= Numeric::double_epsilon
- && std::abs(qy) <= Numeric::double_epsilon
- && std::abs(qz) <= Numeric::double_epsilon)
- {
+ m_q = q;
+
+ if (std::abs(m_q.mag()) <= Numeric::double_epsilon) {
+
return 2.*M_PI*R*R*H/3.;
- }
- else {
- double radial = 0.;//integrator.integrate(0.0, H/2.0, (void *)0);
- return a_part * radial;
+ } else {
+
+ complex_t qzH_half = m_q.z()*H/2.0;
+ complex_t z_part = std::exp(complex_t(0.0, 1.0)*qzH_half);
+
+ return 4.0* M_PI * z_part *m_integrator->integrate(0.0, H/2.0);
+
}
}
-//! Integrand.
-/*double FormFactorFullSpheroid::FullSpheroidIntegral(
- double Z, void* params) const
-{
- (void)params;
-
- double R = m_radius;
- double H = m_height;
- m_q = q;
- 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);*/
-//}
diff --git a/Core/FormFactors/src/FormFactorHemiEllipsoid.cpp b/Core/FormFactors/src/FormFactorHemiEllipsoid.cpp
new file mode 100644
index 0000000000000000000000000000000000000000..0f5791646a92b2134580e2b696a1435200abc0e3
--- /dev/null
+++ b/Core/FormFactors/src/FormFactorHemiEllipsoid.cpp
@@ -0,0 +1,98 @@
+// ************************************************************************** //
+//
+// BornAgain: simulate and fit scattering at grazing incidence
+//
+//! @file FormFactors/src/FormFactorHemiEllipsoid.cpp
+//! @brief Implements class FormFactorHemiEllipsoid.
+//!
+//! @homepage http://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 "FormFactorHemiEllipsoid.h"
+#include "StochasticDiracDelta.h"
+#include "MathFunctions.h"
+#include "Numeric.h"
+#include <cmath>
+#include "MemberFunctionIntegrator.h"
+#include "MemberComplexFunctionIntegrator.h"
+
+FormFactorHemiEllipsoid::FormFactorHemiEllipsoid(
+ double radius_a, double radius_b, double height)
+{
+ setName("FormFactorHemiEllipsoid");
+ m_radius_a = radius_a;
+ m_radius_b = radius_b;
+ m_height = height;
+ init_parameters();
+
+ MemberComplexFunctionIntegrator<FormFactorHemiEllipsoid>::mem_function p_mf =
+ & FormFactorHemiEllipsoid::Integrand;
+ m_integrator =
+ new MemberComplexFunctionIntegrator<FormFactorHemiEllipsoid>(p_mf, this);
+}
+
+void FormFactorHemiEllipsoid::init_parameters()
+{
+ clearParameterPool();
+ registerParameter("radius_a", &m_radius_a);
+ registerParameter("radius_b", & m_radius_b);
+ registerParameter("height", &m_height);
+
+}
+
+FormFactorHemiEllipsoid* FormFactorHemiEllipsoid::clone() const
+{
+ FormFactorHemiEllipsoid* result =
+ new FormFactorHemiEllipsoid(m_radius_a, m_radius_b, m_height);
+ result->setName(getName());
+ return result;
+}
+
+//! Integrand for complex formfactor.
+complex_t FormFactorHemiEllipsoid::Integrand(double Z, void* params) const
+{
+ (void)params;
+ double R = m_radius_a;
+ double W = m_radius_b;
+ double H = m_height;
+
+ double Rz = R* std::sqrt(1.0 - Z*Z/(H*H));
+ double Wz = W* std::sqrt(1.0 - Z*Z/(H*H));
+
+ complex_t qxRz = m_q.x()*Rz;
+ complex_t qyWz = m_q.y()*Wz;
+
+ complex_t gamma = std::sqrt (qxRz*qxRz + qyWz*qyWz);
+ complex_t J1_gamma_div_gamma = MathFunctions::Bessel_C1(std::abs(gamma));
+ complex_t exp_imag = std::exp(complex_t(0.0,1.0)*m_q.z()*Z);
+
+ return Rz * Wz * J1_gamma_div_gamma *exp_imag;
+
+}
+
+//! Complex formfactor.
+
+complex_t FormFactorHemiEllipsoid::evaluate_for_q(const cvector_t& q) const
+{
+ m_q = q;
+ double R = m_radius_a;
+ double W = m_radius_b;
+ double H = m_height;
+
+ if (std::abs(m_q.mag()) <= Numeric::double_epsilon) {
+
+ return 2.0*M_PI*R*W*H/3.;
+
+ } else {
+
+ return 2.0*M_PI*m_integrator->integrate(0.,H );
+ }
+}
+
+
+
diff --git a/Core/FormFactors/src/FormFactorHemiSpheroid.cpp b/Core/FormFactors/src/FormFactorHemiSpheroid.cpp
deleted file mode 100644
index 314a085d61ccb920d59deb3f3095b600c1649eac..0000000000000000000000000000000000000000
--- a/Core/FormFactors/src/FormFactorHemiSpheroid.cpp
+++ /dev/null
@@ -1,132 +0,0 @@
-// ************************************************************************** //
-//
-// BornAgain: simulate and fit scattering at grazing incidence
-//
-//! @file FormFactors/src/FormFactorHemiSpheroid.cpp
-//! @brief Implements class FormFactorHemiSpheroid.
-//!
-//! @homepage http://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 "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();
-}
-
-//! Registers some class members for later access via parameter pool.
-
-void FormFactorHemiSpheroid::init_parameters()
-{
- clearParameterPool();
- registerParameter("radius", &m_radius);
- registerParameter("width", & m_width);
- registerParameter("height", &m_height);
-}
-
-FormFactorHemiSpheroid* FormFactorHemiSpheroid::clone() const
-{
- FormFactorHemiSpheroid* result =
- new FormFactorHemiSpheroid(m_radius, m_width, m_height);
- result->setName(getName());
- return result;
-}
-
-//! 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);
- return integrator.integrate(0, H, (void *)0);
-}
-
-//! Integrand for real part.
-
-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 of the integral.
-
-double FormFactorHemiSpheroid::evaluate_for_q_imag() const
-{
- double H = m_height;
- MemberFunctionIntegrator<FormFactorHemiSpheroid>::mem_function p_mf =
- & FormFactorHemiSpheroid::HemiSpheroidIntegralImaginary;
- MemberFunctionIntegrator<FormFactorHemiSpheroid> integrator(p_mf,this);
- return integrator.integrate(0, H, (void *)0);
-}
-
-//! Integrand for imaginary part.
-
-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;
-}
-
-//! Complex formfactor (sum of the two integrals).
-
-complex_t FormFactorHemiSpheroid::evaluate_for_q(const cvector_t& q) const
-{
- m_q = q;
- return 2*M_PI*complex_t(0.0, 1.0)*evaluate_for_q_imag() +
- 2*M_PI*evaluate_for_q_real();
-}
-
-
diff --git a/Core/FormFactors/src/FormFactorPrism6.cpp b/Core/FormFactors/src/FormFactorPrism6.cpp
index 1dbb1d51cfc91d55b034a6ead29f606233b1bfa0..90eca953588bd9f2f5c2d705f5b60e86fc2f898f 100644
--- a/Core/FormFactors/src/FormFactorPrism6.cpp
+++ b/Core/FormFactors/src/FormFactorPrism6.cpp
@@ -53,7 +53,9 @@ complex_t FormFactorPrism6::evaluate_for_q(const cvector_t& q) const
complex_t xy_part = complex_t(0.0, 0.0);
if (std::abs(q.x())==0.0 && std::abs(q.y())==0.0) {
+
xy_part = 3.*m_root3/2.*R*R;
+
} else {
if (std::abs(3.0*q.y()*q.y()-q.x()*q.x())==0.0) {
@@ -63,6 +65,7 @@ complex_t FormFactorPrism6::evaluate_for_q(const cvector_t& q) const
MathFunctions::Sinc(qyRr3_half)
+ 2.0*std::cos(qyRr3_half)
);
+
} else {
complex_t qxR_half = (q.x()*R)/2.0;
diff --git a/Core/FormFactors/src/FormFactorPyramid.cpp b/Core/FormFactors/src/FormFactorPyramid.cpp
index 562408687ae07425d508d4eea8b9ec0c8228f6c1..a2a317204af0ff04c0b7da4a501aa8ff8d85a712 100644
--- a/Core/FormFactors/src/FormFactorPyramid.cpp
+++ b/Core/FormFactors/src/FormFactorPyramid.cpp
@@ -24,6 +24,7 @@ FormFactorPyramid::FormFactorPyramid(
m_height = height;
m_half_side = half_side;
m_alpha = alpha;
+ assert(m_height <= m_half_side*std::tan(m_alpha));
init_parameters();
}
diff --git a/Core/FormFactors/src/FormFactorSpheroid.cpp b/Core/FormFactors/src/FormFactorSpheroid.cpp
new file mode 100644
index 0000000000000000000000000000000000000000..c63541cb3ed93abc2340df2faa65828df0cbc6e4
--- /dev/null
+++ b/Core/FormFactors/src/FormFactorSpheroid.cpp
@@ -0,0 +1,90 @@
+// ************************************************************************** //
+//
+// BornAgain: simulate and fit scattering at grazing incidence
+//
+//! @file FormFactors/src/FormFactorSpheroid.cpp
+//! @brief Implements class FormFactorSpheroid.
+//!
+//! @homepage http://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 "FormFactorSpheroid.h"
+#include "StochasticDiracDelta.h"
+#include "MathFunctions.h"
+#include "Numeric.h"
+#include "MemberFunctionIntegrator.h"
+#include "MemberComplexFunctionIntegrator.h"
+
+FormFactorSpheroid::FormFactorSpheroid(double radius, double height, double height_flattening)
+{
+ setName("FormFactorSpheroid");
+ m_radius = radius;
+ m_height = height;
+ m_height_flattening = height_flattening;
+ assert(m_height <= 2.*m_radius*m_height_flattening);
+ init_parameters();
+
+ MemberComplexFunctionIntegrator<FormFactorSpheroid>::mem_function p_mf =
+ & FormFactorSpheroid::Integrand;
+ m_integrator =
+ new MemberComplexFunctionIntegrator<FormFactorSpheroid>(p_mf, this);
+ }
+
+void FormFactorSpheroid::init_parameters()
+{
+ clearParameterPool();
+ registerParameter("radius", &m_radius);
+ registerParameter("height", &m_height);
+ registerParameter("height_flattening", &m_height_flattening);
+}
+
+FormFactorSpheroid* FormFactorSpheroid::clone() const
+{
+ FormFactorSpheroid* result =
+ new FormFactorSpheroid(m_radius, m_height, m_height_flattening);
+ result->setName(getName());
+ return result;
+}
+
+//! Integrand for complex formfactor.
+complex_t FormFactorSpheroid::Integrand(double Z, void* params) const
+{
+ (void)params; // to avoid unused-variable warning
+ double R = m_radius;
+ double fp = m_height_flattening;
+
+ double Rz = std::sqrt(R*R-Z*Z/(fp*fp));
+ complex_t qrRz = m_q.magxy()*Rz;
+ complex_t J1_qrRz_div_qrRz = MathFunctions::Bessel_C1(std::abs(qrRz));
+
+ return Rz * Rz * J1_qrRz_div_qrRz * std::exp(complex_t(0.0,1.0)*m_q.z()*Z);
+}
+
+complex_t FormFactorSpheroid::evaluate_for_q(const cvector_t& q) const
+{
+ double H = m_height;
+ double R = m_radius;
+ double fp = m_height_flattening;
+ m_q = q;
+
+ if (std::abs(m_q.mag()) <= Numeric::double_epsilon) {
+
+ return M_PI*R*H/fp*(1.-H/(3.*fp*R));
+
+ } else {
+
+ complex_t z_part = std::exp(complex_t(0.0, 1.0)*(H-fp*R));
+
+ return 2.0* M_PI * z_part *m_integrator->integrate(fp*R-H,fp*R );
+ }
+}
+
+
+
+
+
diff --git a/Core/FormFactors/src/FormFactorTetrahedron.cpp b/Core/FormFactors/src/FormFactorTetrahedron.cpp
index a7e245e60e8cdba2a5c89ac6b5e624f0b511901f..474415844ecbcb1ff3f8469f224f69ec8a500870 100644
--- a/Core/FormFactors/src/FormFactorTetrahedron.cpp
+++ b/Core/FormFactors/src/FormFactorTetrahedron.cpp
@@ -25,12 +25,9 @@ FormFactorTetrahedron::FormFactorTetrahedron(
m_half_side = half_side;
m_alpha = alpha;
m_root3 = std::sqrt(3.0);
+ assert(m_root3 * m_height <= m_half_side*std::tan(m_alpha) );
init_parameters();
- /* MemberComplexFunctionIntegrator<FormFactorTetrahedron>::mem_function p_mf =
- & FormFactorTetrahedron::Integrand;
- m_integrator =
- new MemberComplexFunctionIntegrator<FormFactorTetrahedron>(p_mf, this);*/
}
void FormFactorTetrahedron::init_parameters()
@@ -50,41 +47,6 @@ FormFactorTetrahedron* FormFactorTetrahedron::clone() const
}
-//! Integrand for complex formfactor.
-/*complex_t FormFactorTetrahedron::Integrand(double Z, void* params) const
-{
- (void)params; // to avoid unused-variable warning
- double Rz = m_half_side -Z*m_root3/std::tan(m_alpha);
- complex_t r3qyR = m_root3*m_q.y()*Rz;
- complex_t qxR = m_q.x()*Rz;
-
- return (std::exp(complex_t(0.0, 1.0)*r3qyR) -
- std::cos(qxR)-complex_t(0.0, 1.0)*r3qyR*
- MathFunctions::Sinc(qxR))
- *std::exp(complex_t(0.0, 1.0)*(m_q.z()*Z-m_q.y()*Rz/m_root3));
-
-}*/
-
-//! Complex formfactor.
-
-/*complex_t FormFactorTetrahedron::evaluate_for_q(const cvector_t& q) const
-{ m_q = q;
- double H = m_height;
- double R = m_half_side;
- double tga = std::tan(m_alpha);
-
- if ( std::abs(m_q.mag()) < Numeric::double_epsilon) {
- double sqrt3HdivRtga = m_root3*H/R/tga;
- return tga/3.*R*R*R*(1. -
- (1.-sqrt3HdivRtga)*(1.-sqrt3HdivRtga)*(1.-sqrt3HdivRtga));
- }
- else {
- complex_t integral = m_integrator->integrate(0., H);
- return 2.0*m_root3/(q.x()*q.x()-3.0*q.y()*q.y())*integral;
- }
-}*/
-
-
complex_t FormFactorTetrahedron::evaluate_for_q(const cvector_t& q) const
{
double H = m_height;
@@ -113,8 +75,7 @@ complex_t FormFactorTetrahedron::evaluate_for_q(const cvector_t& q) const
double sqrt3HdivRtga = m_root3*H/R/tga;
F = tga/3.*R*R*R*(1. -
(1.-sqrt3HdivRtga)*(1.-sqrt3HdivRtga)*(1.-sqrt3HdivRtga));
- }
- else {
+ } else {
//qx=qy=0 qz!=0
complex_t qzH_half = qz*H/2.0;
F = m_root3*H*std::exp(im*qzH_half)*(
@@ -131,8 +92,7 @@ complex_t FormFactorTetrahedron::evaluate_for_q(const cvector_t& q) const
std::exp(-im*q2*L)*MathFunctions::Sinc(q2*H)
- std::exp(im*q3*L)*MathFunctions::Sinc(q3*H)) ;
}
- }
- else {
+ } else {
// qx!=0
if (std::abs(qx*qx-3.0*qy*qy)==0.0) {
// qx**2= 3qy**2
@@ -143,8 +103,7 @@ complex_t FormFactorTetrahedron::evaluate_for_q(const cvector_t& q) const
- 3.0*qy*std::exp(-im*2.0*q3*H)/(q3*tga)
- std::exp(im*qa*H-im*2.0*m_root3*qy*R)*MathFunctions::Sinc(qa*H)
)/(2.0*qx*qx);
- }
- else {
+ } else {
//Formula Isgisaxs
/* complex_t qc1 = 2./m_root3*qx;
complex_t qc2 = qx/m_root3 + qy;
diff --git a/Core/PythonAPI/inc/FormFactorEllipsoid.pypp.h b/Core/PythonAPI/inc/FormFactorEllipsoid.pypp.h
deleted file mode 100644
index e09e368c1ad264e1006797ca47138943eee8df3a..0000000000000000000000000000000000000000
--- a/Core/PythonAPI/inc/FormFactorEllipsoid.pypp.h
+++ /dev/null
@@ -1,11 +0,0 @@
-// This file has been generated by Py++.
-
-// BornAgain: simulate and fit scattering at grazing incidence
-//! @brief automatically generated boost::python code for PythonCoreAPI
-
-#ifndef FormFactorEllipsoid_hpp__pyplusplus_wrapper
-#define FormFactorEllipsoid_hpp__pyplusplus_wrapper
-
-void register_FormFactorEllipsoid_class();
-
-#endif//FormFactorEllipsoid_hpp__pyplusplus_wrapper
diff --git a/Core/PythonAPI/inc/FormFactorHemiSpheroid.pypp.h b/Core/PythonAPI/inc/FormFactorHemiSpheroid.pypp.h
deleted file mode 100644
index 89657061d32a413409d1555c230646908b3a1de9..0000000000000000000000000000000000000000
--- a/Core/PythonAPI/inc/FormFactorHemiSpheroid.pypp.h
+++ /dev/null
@@ -1,11 +0,0 @@
-// This file has been generated by Py++.
-
-// BornAgain: simulate and fit scattering at grazing incidence
-//! @brief automatically generated boost::python code for PythonCoreAPI
-
-#ifndef FormFactorHemiSpheroid_hpp__pyplusplus_wrapper
-#define FormFactorHemiSpheroid_hpp__pyplusplus_wrapper
-
-void register_FormFactorHemiSpheroid_class();
-
-#endif//FormFactorHemiSpheroid_hpp__pyplusplus_wrapper
diff --git a/Core/PythonAPI/inc/PythonCoreList.h b/Core/PythonAPI/inc/PythonCoreList.h
index 4ec09c90d504d2522ed9f9933676e6a91a7332ea..884d36197f74fed56aa4b8693f60120e219c7e53 100644
--- a/Core/PythonAPI/inc/PythonCoreList.h
+++ b/Core/PythonAPI/inc/PythonCoreList.h
@@ -12,16 +12,19 @@
#include "Crystal.h"
#include "DiffuseParticleInfo.h"
#include "FTDistributions.h"
+#include "FormFactorAnisoPyramid.h"
#include "FormFactorBox.h"
#include "FormFactorCone.h"
+#include "FormFactorCone6.h"
#include "FormFactorCrystal.h"
+#include "FormFactorCuboctahedron.h"
#include "FormFactorCylinder.h"
#include "FormFactorDecoratorDebyeWaller.h"
-#include "FormFactorEllipsoid.h"
+#include "FormFactorEllipsoidalCylinder.h"
#include "FormFactorFullSphere.h"
#include "FormFactorFullSpheroid.h"
#include "FormFactorGauss.h"
-#include "FormFactorHemiSpheroid.h"
+#include "FormFactorHemiEllipsoid.h"
#include "FormFactorLorentz.h"
#include "FormFactorParallelepiped.h"
#include "FormFactorPrism3.h"
@@ -29,6 +32,7 @@
#include "FormFactorPyramid.h"
#include "FormFactorSphere.h"
#include "FormFactorSphereGaussianRadius.h"
+#include "FormFactorSpheroid.h"
#include "HomogeneousMaterial.h"
#include "ICloneable.h"
#include "IClusteredParticles.h"
diff --git a/Core/PythonAPI/src/FormFactorCone.pypp.cpp b/Core/PythonAPI/src/FormFactorCone.pypp.cpp
index 5fe32ad9e00d2e7cdc863c87edc6122b409fda88..00cffae4b01bf0b74fcd478b3a07cc237ce31d7a 100644
--- a/Core/PythonAPI/src/FormFactorCone.pypp.cpp
+++ b/Core/PythonAPI/src/FormFactorCone.pypp.cpp
@@ -229,16 +229,16 @@ struct FormFactorCone_wrapper : FormFactorCone, bp::wrapper< FormFactorCone > {
return ISample::getCompositeSample( );
}
- virtual ::ICompositeSample const * getCompositeSample( ) const {
- if( bp::override func_getCompositeSample = this->get_override( "getCompositeSample" ) )
- return func_getCompositeSample( );
+ virtual double getRadius( ) const {
+ if( bp::override func_getRadius = this->get_override( "getRadius" ) )
+ return func_getRadius( );
else{
- return this->ISample::getCompositeSample( );
+ return this->IFormFactor::getRadius( );
}
}
- ::ICompositeSample const * default_getCompositeSample( ) const {
- return ISample::getCompositeSample( );
+ double default_getRadius( ) const {
+ return IFormFactor::getRadius( );
}
virtual double getVolume( ) const {
@@ -538,16 +538,15 @@ void register_FormFactorCone_class(){
, bp::return_value_policy< bp::reference_existing_object >() );
}
- { //::ISample::getCompositeSample
+ { //::IFormFactor::getRadius
- typedef ::ICompositeSample const * ( ::ISample::*getCompositeSample_function_type )( ) const;
- typedef ::ICompositeSample const * ( FormFactorCone_wrapper::*default_getCompositeSample_function_type )( ) const;
+ typedef double ( ::IFormFactor::*getRadius_function_type )( ) const;
+ typedef double ( FormFactorCone_wrapper::*default_getRadius_function_type )( ) const;
FormFactorCone_exposer.def(
- "getCompositeSample"
- , getCompositeSample_function_type(&::ISample::getCompositeSample)
- , default_getCompositeSample_function_type(&FormFactorCone_wrapper::default_getCompositeSample)
- , bp::return_value_policy< bp::reference_existing_object >() );
+ "getRadius"
+ , getRadius_function_type(&::IFormFactor::getRadius)
+ , default_getRadius_function_type(&FormFactorCone_wrapper::default_getRadius) );
}
{ //::IFormFactorBorn::getVolume
diff --git a/Core/PythonAPI/src/FormFactorFullSpheroid.pypp.cpp b/Core/PythonAPI/src/FormFactorFullSpheroid.pypp.cpp
index b3a83831d32b615e9624284ee8bf87dcf2cef50e..cb9c15a1ba43929d013c0e440f3d7c3d9d6c84bf 100644
--- a/Core/PythonAPI/src/FormFactorFullSpheroid.pypp.cpp
+++ b/Core/PythonAPI/src/FormFactorFullSpheroid.pypp.cpp
@@ -121,18 +121,6 @@ struct FormFactorFullSpheroid_wrapper : FormFactorFullSpheroid, bp::wrapper< For
return ISample::cloneInvertB( );
}
- virtual bool containsMagneticMaterial( ) const {
- if( bp::override func_containsMagneticMaterial = this->get_override( "containsMagneticMaterial" ) )
- return func_containsMagneticMaterial( );
- else{
- return this->ISample::containsMagneticMaterial( );
- }
- }
-
- bool default_containsMagneticMaterial( ) const {
- return ISample::containsMagneticMaterial( );
- }
-
virtual void createDistributedFormFactors( ::std::vector< IFormFactor* > & form_factors, ::std::vector< double > & probabilities, ::size_t nbr_samples ) const {
if( bp::override func_createDistributedFormFactors = this->get_override( "createDistributedFormFactors" ) )
func_createDistributedFormFactors( boost::ref(form_factors), boost::ref(probabilities), nbr_samples );
@@ -169,18 +157,6 @@ struct FormFactorFullSpheroid_wrapper : FormFactorFullSpheroid, bp::wrapper< For
return IFormFactorBorn::evaluate( boost::ref(k_i), boost::ref(k_f_bin), alpha_f_bin );
}
- virtual ::ICompositeSample * getCompositeSample( ) {
- if( bp::override func_getCompositeSample = this->get_override( "getCompositeSample" ) )
- return func_getCompositeSample( );
- else{
- return this->ISample::getCompositeSample( );
- }
- }
-
- ::ICompositeSample * default_getCompositeSample( ) {
- return ISample::getCompositeSample( );
- }
-
virtual ::ICompositeSample const * getCompositeSample( ) const {
if( bp::override func_getCompositeSample = this->get_override( "getCompositeSample" ) )
return func_getCompositeSample( );
@@ -260,6 +236,18 @@ struct FormFactorFullSpheroid_wrapper : FormFactorFullSpheroid, bp::wrapper< For
}
}
+ virtual int setMatchedParametersValue( ::std::string const & wildcards, double value ) {
+ if( bp::override func_setMatchedParametersValue = this->get_override( "setMatchedParametersValue" ) )
+ return func_setMatchedParametersValue( wildcards, value );
+ else{
+ return this->IParameterized::setMatchedParametersValue( wildcards, value );
+ }
+ }
+
+ int default_setMatchedParametersValue( ::std::string const & wildcards, double value ) {
+ return IParameterized::setMatchedParametersValue( wildcards, value );
+ }
+
virtual bool setParameterValue( ::std::string const & name, double value ) {
if( bp::override func_setParameterValue = this->get_override( "setParameterValue" ) )
return func_setParameterValue( name, value );
@@ -382,17 +370,6 @@ void register_FormFactorFullSpheroid_class(){
, default_cloneInvertB_function_type(&FormFactorFullSpheroid_wrapper::default_cloneInvertB)
, bp::return_value_policy< bp::reference_existing_object >() );
- }
- { //::ISample::containsMagneticMaterial
-
- typedef bool ( ::ISample::*containsMagneticMaterial_function_type )( ) const;
- typedef bool ( FormFactorFullSpheroid_wrapper::*default_containsMagneticMaterial_function_type )( ) const;
-
- FormFactorFullSpheroid_exposer.def(
- "containsMagneticMaterial"
- , containsMagneticMaterial_function_type(&::ISample::containsMagneticMaterial)
- , default_containsMagneticMaterial_function_type(&FormFactorFullSpheroid_wrapper::default_containsMagneticMaterial) );
-
}
{ //::IFormFactor::createDistributedFormFactors
@@ -430,18 +407,6 @@ void register_FormFactorFullSpheroid_class(){
, default_evaluate_function_type(&FormFactorFullSpheroid_wrapper::default_evaluate)
, ( bp::arg("k_i"), bp::arg("k_f_bin"), bp::arg("alpha_f_bin") ) );
- }
- { //::ISample::getCompositeSample
-
- typedef ::ICompositeSample * ( ::ISample::*getCompositeSample_function_type )( ) ;
- typedef ::ICompositeSample * ( FormFactorFullSpheroid_wrapper::*default_getCompositeSample_function_type )( ) ;
-
- FormFactorFullSpheroid_exposer.def(
- "getCompositeSample"
- , getCompositeSample_function_type(&::ISample::getCompositeSample)
- , default_getCompositeSample_function_type(&FormFactorFullSpheroid_wrapper::default_getCompositeSample)
- , bp::return_value_policy< bp::reference_existing_object >() );
-
}
{ //::ISample::getCompositeSample
@@ -508,6 +473,18 @@ void register_FormFactorFullSpheroid_class(){
, default_registerParameter_function_type( &FormFactorFullSpheroid_wrapper::default_registerParameter )
, ( bp::arg("inst"), bp::arg("name"), bp::arg("parpointer") ) );
+ }
+ { //::IParameterized::setMatchedParametersValue
+
+ typedef int ( ::IParameterized::*setMatchedParametersValue_function_type )( ::std::string const &,double ) ;
+ typedef int ( FormFactorFullSpheroid_wrapper::*default_setMatchedParametersValue_function_type )( ::std::string const &,double ) ;
+
+ FormFactorFullSpheroid_exposer.def(
+ "setMatchedParametersValue"
+ , setMatchedParametersValue_function_type(&::IParameterized::setMatchedParametersValue)
+ , default_setMatchedParametersValue_function_type(&FormFactorFullSpheroid_wrapper::default_setMatchedParametersValue)
+ , ( bp::arg("wildcards"), bp::arg("value") ) );
+
}
{ //::IParameterized::setParameterValue
diff --git a/Core/PythonAPI/src/FormFactorPrism6.pypp.cpp b/Core/PythonAPI/src/FormFactorPrism6.pypp.cpp
index dd3e63a4275846721bf5f0f2ee04f19967d9c573..ed73b5040a9197268dcab9911e53698f8b378fc2 100644
--- a/Core/PythonAPI/src/FormFactorPrism6.pypp.cpp
+++ b/Core/PythonAPI/src/FormFactorPrism6.pypp.cpp
@@ -205,16 +205,16 @@ struct FormFactorPrism6_wrapper : FormFactorPrism6, bp::wrapper< FormFactorPrism
return ISample::getCompositeSample( );
}
- virtual ::ICompositeSample const * getCompositeSample( ) const {
- if( bp::override func_getCompositeSample = this->get_override( "getCompositeSample" ) )
- return func_getCompositeSample( );
+ virtual double getRadius( ) const {
+ if( bp::override func_getRadius = this->get_override( "getRadius" ) )
+ return func_getRadius( );
else{
- return this->ISample::getCompositeSample( );
+ return this->IFormFactor::getRadius( );
}
}
- ::ICompositeSample const * default_getCompositeSample( ) const {
- return ISample::getCompositeSample( );
+ double default_getRadius( ) const {
+ return IFormFactor::getRadius( );
}
virtual double getVolume( ) const {
@@ -491,16 +491,15 @@ void register_FormFactorPrism6_class(){
, bp::return_value_policy< bp::reference_existing_object >() );
}
- { //::ISample::getCompositeSample
+ { //::IFormFactor::getRadius
- typedef ::ICompositeSample const * ( ::ISample::*getCompositeSample_function_type )( ) const;
- typedef ::ICompositeSample const * ( FormFactorPrism6_wrapper::*default_getCompositeSample_function_type )( ) const;
+ typedef double ( ::IFormFactor::*getRadius_function_type )( ) const;
+ typedef double ( FormFactorPrism6_wrapper::*default_getRadius_function_type )( ) const;
FormFactorPrism6_exposer.def(
- "getCompositeSample"
- , getCompositeSample_function_type(&::ISample::getCompositeSample)
- , default_getCompositeSample_function_type(&FormFactorPrism6_wrapper::default_getCompositeSample)
- , bp::return_value_policy< bp::reference_existing_object >() );
+ "getRadius"
+ , getRadius_function_type(&::IFormFactor::getRadius)
+ , default_getRadius_function_type(&FormFactorPrism6_wrapper::default_getRadius) );
}
{ //::IFormFactorBorn::getVolume
diff --git a/Core/PythonAPI/src/PythonModule.cpp b/Core/PythonAPI/src/PythonModule.cpp
index a398f4bb3f6acf338851e974ca1bb214fc3a3c05..ca90597c290f8affd769cbf175b7195d501d03c4 100644
--- a/Core/PythonAPI/src/PythonModule.cpp
+++ b/Core/PythonAPI/src/PythonModule.cpp
@@ -10,18 +10,21 @@
#include "Bin1D.pypp.h"
#include "Bin1DCVector.pypp.h"
#include "Crystal.pypp.h"
+#include "cvector_t.pypp.h"
#include "Detector.pypp.h"
-#include "FTDistribution2DCauchy.pypp.h"
+#include "FormFactorAnisoPyramid.pypp.h"
#include "FormFactorBox.pypp.h"
#include "FormFactorCone.pypp.h"
+#include "FormFactorCone6.pypp.h"
#include "FormFactorCrystal.pypp.h"
+#include "FormFactorCuboctahedron.pypp.h"
#include "FormFactorCylinder.pypp.h"
#include "FormFactorDecoratorDebyeWaller.pypp.h"
-#include "FormFactorEllipsoid.pypp.h"
+#include "FormFactorEllipsoidalCylinder.pypp.h"
#include "FormFactorFullSphere.pypp.h"
#include "FormFactorFullSpheroid.pypp.h"
#include "FormFactorGauss.pypp.h"
-#include "FormFactorHemiSpheroid.pypp.h"
+#include "FormFactorHemiEllipsoid.pypp.h"
#include "FormFactorLorentz.pypp.h"
#include "FormFactorParallelepiped.pypp.h"
#include "FormFactorPrism3.pypp.h"
@@ -29,6 +32,8 @@
#include "FormFactorPyramid.pypp.h"
#include "FormFactorSphere.pypp.h"
#include "FormFactorSphereGaussianRadius.pypp.h"
+#include "FormFactorSpheroid.pypp.h"
+#include "FTDistribution2DCauchy.pypp.h"
#include "HomogeneousMaterial.pypp.h"
#include "IAxis.pypp.h"
#include "ICloneable.pypp.h"
@@ -36,12 +41,18 @@
#include "ICompositeSample.pypp.h"
#include "IDecoration.pypp.h"
#include "IDetectorResolution.pypp.h"
-#include "IFTDistribution2D.pypp.h"
#include "IFormFactor.pypp.h"
#include "IFormFactorBorn.pypp.h"
#include "IFormFactorDecorator.pypp.h"
+#include "IFTDistribution2D.pypp.h"
#include "IInterferenceFunction.pypp.h"
#include "IMaterial.pypp.h"
+#include "Instrument.pypp.h"
+#include "IntensityData.pypp.h"
+#include "InterferenceFunction1DParaCrystal.pypp.h"
+#include "InterferenceFunction2DLattice.pypp.h"
+#include "InterferenceFunction2DParaCrystal.pypp.h"
+#include "InterferenceFunctionNone.pypp.h"
#include "IObservable.pypp.h"
#include "IObserver.pypp.h"
#include "IParameterized.pypp.h"
@@ -50,12 +61,7 @@
#include "ISampleBuilder.pypp.h"
#include "ISelectionRule.pypp.h"
#include "ITransform3D.pypp.h"
-#include "Instrument.pypp.h"
-#include "IntensityData.pypp.h"
-#include "InterferenceFunction1DParaCrystal.pypp.h"
-#include "InterferenceFunction2DLattice.pypp.h"
-#include "InterferenceFunction2DParaCrystal.pypp.h"
-#include "InterferenceFunctionNone.pypp.h"
+#include "kvector_t.pypp.h"
#include "Lattice.pypp.h"
#include "Lattice2DIFParameters.pypp.h"
#include "LatticeBasis.pypp.h"
@@ -86,8 +92,6 @@
#include "StochasticDoubleGaussian.pypp.h"
#include "StochasticParameter_t.pypp.h"
#include "StochasticSampledParameter.pypp.h"
-#include "cvector_t.pypp.h"
-#include "kvector_t.pypp.h"
#include "vdouble1d_t.pypp.h"
#include "vector_IFormFactorPtr_t.pypp.h"
#include "vector_integer_t.pypp.h"
@@ -124,17 +128,20 @@ BOOST_PYTHON_MODULE(libBornAgainCore){
register_FTDistribution2DCauchy_class();
register_IFormFactor_class();
register_IFormFactorBorn_class();
+ register_FormFactorAnisoPyramid_class();
register_FormFactorBox_class();
register_FormFactorCone_class();
+ register_FormFactorCone6_class();
register_FormFactorCrystal_class();
+ register_FormFactorCuboctahedron_class();
register_FormFactorCylinder_class();
register_IFormFactorDecorator_class();
register_FormFactorDecoratorDebyeWaller_class();
- register_FormFactorEllipsoid_class();
+ register_FormFactorEllipsoidalCylinder_class();
register_FormFactorFullSphere_class();
register_FormFactorFullSpheroid_class();
register_FormFactorGauss_class();
- register_FormFactorHemiSpheroid_class();
+ register_FormFactorHemiEllipsoid_class();
register_FormFactorLorentz_class();
register_FormFactorParallelepiped_class();
register_FormFactorPrism3_class();
@@ -142,6 +149,7 @@ BOOST_PYTHON_MODULE(libBornAgainCore){
register_FormFactorPyramid_class();
register_FormFactorSphere_class();
register_FormFactorSphereGaussianRadius_class();
+ register_FormFactorSpheroid_class();
register_kvector_t_class();
register_cvector_t_class();
register_ITransform3D_class();
diff --git a/Core/StandardSamples/IsGISAXS03Builder.cpp b/Core/StandardSamples/IsGISAXS03Builder.cpp
index 24433c088a6f584551a9c973d501771bc67f2175..563c977c7d6895f2d14b0cb8e26f18dc9444065f 100644
--- a/Core/StandardSamples/IsGISAXS03Builder.cpp
+++ b/Core/StandardSamples/IsGISAXS03Builder.cpp
@@ -83,12 +83,12 @@ ISample *IsGISAXS03BABuilder::buildSample() const
const IMaterial *p_air_material =
MaterialManager::getHomogeneousMaterial("Air", 0.0, 0.0);
- const IMaterial *p_substrate_material =
- MaterialManager::getHomogeneousMaterial("Substrate", 6e-6, 2e-8);
+ //const IMaterial *p_substrate_material =
+ // MaterialManager::getHomogeneousMaterial("Substrate", 6e-6, 2e-8);
Layer air_layer;
air_layer.setMaterial(p_air_material);
- Layer substrate_layer;
- substrate_layer.setMaterial(p_substrate_material);
+ //Layer substrate_layer;
+ //substrate_layer.setMaterial(p_substrate_material);
const IMaterial *particle_material =
MaterialManager::getHomogeneousMaterial("Particle", 6e-4, 2e-8);
diff --git a/Core/python_module.pri b/Core/python_module.pri
index 6546e3ba35a630a6614ba116c853f8c73b4f51fe..86e6a14ce40bc917d08ea92a87e00d57fca27fa6 100644
--- a/Core/python_module.pri
+++ b/Core/python_module.pri
@@ -10,18 +10,21 @@ HEADERS += \
PythonAPI/inc/Bin1D.pypp.h \
PythonAPI/inc/Bin1DCVector.pypp.h \
PythonAPI/inc/Crystal.pypp.h \
+ PythonAPI/inc/cvector_t.pypp.h \
PythonAPI/inc/Detector.pypp.h \
- PythonAPI/inc/FTDistribution2DCauchy.pypp.h \
+ PythonAPI/inc/FormFactorAnisoPyramid.pypp.h \
PythonAPI/inc/FormFactorBox.pypp.h \
PythonAPI/inc/FormFactorCone.pypp.h \
+ PythonAPI/inc/FormFactorCone6.pypp.h \
PythonAPI/inc/FormFactorCrystal.pypp.h \
+ PythonAPI/inc/FormFactorCuboctahedron.pypp.h \
PythonAPI/inc/FormFactorCylinder.pypp.h \
PythonAPI/inc/FormFactorDecoratorDebyeWaller.pypp.h \
- PythonAPI/inc/FormFactorEllipsoid.pypp.h \
+ PythonAPI/inc/FormFactorEllipsoidalCylinder.pypp.h \
PythonAPI/inc/FormFactorFullSphere.pypp.h \
PythonAPI/inc/FormFactorFullSpheroid.pypp.h \
PythonAPI/inc/FormFactorGauss.pypp.h \
- PythonAPI/inc/FormFactorHemiSpheroid.pypp.h \
+ PythonAPI/inc/FormFactorHemiEllipsoid.pypp.h \
PythonAPI/inc/FormFactorLorentz.pypp.h \
PythonAPI/inc/FormFactorParallelepiped.pypp.h \
PythonAPI/inc/FormFactorPrism3.pypp.h \
@@ -29,6 +32,8 @@ HEADERS += \
PythonAPI/inc/FormFactorPyramid.pypp.h \
PythonAPI/inc/FormFactorSphere.pypp.h \
PythonAPI/inc/FormFactorSphereGaussianRadius.pypp.h \
+ PythonAPI/inc/FormFactorSpheroid.pypp.h \
+ PythonAPI/inc/FTDistribution2DCauchy.pypp.h \
PythonAPI/inc/HomogeneousMaterial.pypp.h \
PythonAPI/inc/IAxis.pypp.h \
PythonAPI/inc/ICloneable.pypp.h \
@@ -36,12 +41,18 @@ HEADERS += \
PythonAPI/inc/ICompositeSample.pypp.h \
PythonAPI/inc/IDecoration.pypp.h \
PythonAPI/inc/IDetectorResolution.pypp.h \
- PythonAPI/inc/IFTDistribution2D.pypp.h \
PythonAPI/inc/IFormFactor.pypp.h \
PythonAPI/inc/IFormFactorBorn.pypp.h \
PythonAPI/inc/IFormFactorDecorator.pypp.h \
+ PythonAPI/inc/IFTDistribution2D.pypp.h \
PythonAPI/inc/IInterferenceFunction.pypp.h \
PythonAPI/inc/IMaterial.pypp.h \
+ PythonAPI/inc/Instrument.pypp.h \
+ PythonAPI/inc/IntensityData.pypp.h \
+ PythonAPI/inc/InterferenceFunction1DParaCrystal.pypp.h \
+ PythonAPI/inc/InterferenceFunction2DLattice.pypp.h \
+ PythonAPI/inc/InterferenceFunction2DParaCrystal.pypp.h \
+ PythonAPI/inc/InterferenceFunctionNone.pypp.h \
PythonAPI/inc/IObservable.pypp.h \
PythonAPI/inc/IObserver.pypp.h \
PythonAPI/inc/IParameterized.pypp.h \
@@ -50,12 +61,7 @@ HEADERS += \
PythonAPI/inc/ISampleBuilder.pypp.h \
PythonAPI/inc/ISelectionRule.pypp.h \
PythonAPI/inc/ITransform3D.pypp.h \
- PythonAPI/inc/Instrument.pypp.h \
- PythonAPI/inc/IntensityData.pypp.h \
- PythonAPI/inc/InterferenceFunction1DParaCrystal.pypp.h \
- PythonAPI/inc/InterferenceFunction2DLattice.pypp.h \
- PythonAPI/inc/InterferenceFunction2DParaCrystal.pypp.h \
- PythonAPI/inc/InterferenceFunctionNone.pypp.h \
+ PythonAPI/inc/kvector_t.pypp.h \
PythonAPI/inc/Lattice.pypp.h \
PythonAPI/inc/Lattice2DIFParameters.pypp.h \
PythonAPI/inc/LatticeBasis.pypp.h \
@@ -86,8 +92,6 @@ HEADERS += \
PythonAPI/inc/StochasticDoubleGaussian.pypp.h \
PythonAPI/inc/StochasticParameter_t.pypp.h \
PythonAPI/inc/StochasticSampledParameter.pypp.h \
- PythonAPI/inc/cvector_t.pypp.h \
- PythonAPI/inc/kvector_t.pypp.h \
PythonAPI/inc/vdouble1d_t.pypp.h \
PythonAPI/inc/vector_IFormFactorPtr_t.pypp.h \
PythonAPI/inc/vector_integer_t.pypp.h \
@@ -106,18 +110,21 @@ SOURCES += \
PythonAPI/src/Bin1D.pypp.cpp \
PythonAPI/src/Bin1DCVector.pypp.cpp \
PythonAPI/src/Crystal.pypp.cpp \
+ PythonAPI/src/cvector_t.pypp.cpp \
PythonAPI/src/Detector.pypp.cpp \
- PythonAPI/src/FTDistribution2DCauchy.pypp.cpp \
+ PythonAPI/src/FormFactorAnisoPyramid.pypp.cpp \
PythonAPI/src/FormFactorBox.pypp.cpp \
PythonAPI/src/FormFactorCone.pypp.cpp \
+ PythonAPI/src/FormFactorCone6.pypp.cpp \
PythonAPI/src/FormFactorCrystal.pypp.cpp \
+ PythonAPI/src/FormFactorCuboctahedron.pypp.cpp \
PythonAPI/src/FormFactorCylinder.pypp.cpp \
PythonAPI/src/FormFactorDecoratorDebyeWaller.pypp.cpp \
- PythonAPI/src/FormFactorEllipsoid.pypp.cpp \
+ PythonAPI/src/FormFactorEllipsoidalCylinder.pypp.cpp \
PythonAPI/src/FormFactorFullSphere.pypp.cpp \
PythonAPI/src/FormFactorFullSpheroid.pypp.cpp \
PythonAPI/src/FormFactorGauss.pypp.cpp \
- PythonAPI/src/FormFactorHemiSpheroid.pypp.cpp \
+ PythonAPI/src/FormFactorHemiEllipsoid.pypp.cpp \
PythonAPI/src/FormFactorLorentz.pypp.cpp \
PythonAPI/src/FormFactorParallelepiped.pypp.cpp \
PythonAPI/src/FormFactorPrism3.pypp.cpp \
@@ -125,6 +132,8 @@ SOURCES += \
PythonAPI/src/FormFactorPyramid.pypp.cpp \
PythonAPI/src/FormFactorSphere.pypp.cpp \
PythonAPI/src/FormFactorSphereGaussianRadius.pypp.cpp \
+ PythonAPI/src/FormFactorSpheroid.pypp.cpp \
+ PythonAPI/src/FTDistribution2DCauchy.pypp.cpp \
PythonAPI/src/HomogeneousMaterial.pypp.cpp \
PythonAPI/src/IAxis.pypp.cpp \
PythonAPI/src/ICloneable.pypp.cpp \
@@ -132,12 +141,18 @@ SOURCES += \
PythonAPI/src/ICompositeSample.pypp.cpp \
PythonAPI/src/IDecoration.pypp.cpp \
PythonAPI/src/IDetectorResolution.pypp.cpp \
- PythonAPI/src/IFTDistribution2D.pypp.cpp \
PythonAPI/src/IFormFactor.pypp.cpp \
PythonAPI/src/IFormFactorBorn.pypp.cpp \
PythonAPI/src/IFormFactorDecorator.pypp.cpp \
+ PythonAPI/src/IFTDistribution2D.pypp.cpp \
PythonAPI/src/IInterferenceFunction.pypp.cpp \
PythonAPI/src/IMaterial.pypp.cpp \
+ PythonAPI/src/Instrument.pypp.cpp \
+ PythonAPI/src/IntensityData.pypp.cpp \
+ PythonAPI/src/InterferenceFunction1DParaCrystal.pypp.cpp \
+ PythonAPI/src/InterferenceFunction2DLattice.pypp.cpp \
+ PythonAPI/src/InterferenceFunction2DParaCrystal.pypp.cpp \
+ PythonAPI/src/InterferenceFunctionNone.pypp.cpp \
PythonAPI/src/IObservable.pypp.cpp \
PythonAPI/src/IObserver.pypp.cpp \
PythonAPI/src/IParameterized.pypp.cpp \
@@ -146,12 +161,7 @@ SOURCES += \
PythonAPI/src/ISampleBuilder.pypp.cpp \
PythonAPI/src/ISelectionRule.pypp.cpp \
PythonAPI/src/ITransform3D.pypp.cpp \
- PythonAPI/src/Instrument.pypp.cpp \
- PythonAPI/src/IntensityData.pypp.cpp \
- PythonAPI/src/InterferenceFunction1DParaCrystal.pypp.cpp \
- PythonAPI/src/InterferenceFunction2DLattice.pypp.cpp \
- PythonAPI/src/InterferenceFunction2DParaCrystal.pypp.cpp \
- PythonAPI/src/InterferenceFunctionNone.pypp.cpp \
+ PythonAPI/src/kvector_t.pypp.cpp \
PythonAPI/src/Lattice.pypp.cpp \
PythonAPI/src/Lattice2DIFParameters.pypp.cpp \
PythonAPI/src/LatticeBasis.pypp.cpp \
@@ -182,8 +192,6 @@ SOURCES += \
PythonAPI/src/StochasticDoubleGaussian.pypp.cpp \
PythonAPI/src/StochasticParameter_t.pypp.cpp \
PythonAPI/src/StochasticSampledParameter.pypp.cpp \
- PythonAPI/src/cvector_t.pypp.cpp \
- PythonAPI/src/kvector_t.pypp.cpp \
PythonAPI/src/vdouble1d_t.pypp.cpp \
PythonAPI/src/vector_IFormFactorPtr_t.pypp.cpp \
PythonAPI/src/vector_integer_t.pypp.cpp \
diff --git a/Doc/UserManual/UserManual.pdf b/Doc/UserManual/UserManual.pdf
index 2d73f78543b5aeecb8a8685261a72aee0ba45109..4f98977b073008eb1f015895c27700e43d55a207 100644
Binary files a/Doc/UserManual/UserManual.pdf and b/Doc/UserManual/UserManual.pdf differ
diff --git a/Tests/FunctionalTests/TestCore/FormFactors/FTestFormFactors.cpp b/Tests/FunctionalTests/TestCore/FormFactors/FTestFormFactors.cpp
index e7bb3e883a092f50bef29ae55b56edf395e624a4..588878ff9e0e8e336c02edadd60267dd24490fe2 100644
--- a/Tests/FunctionalTests/TestCore/FormFactors/FTestFormFactors.cpp
+++ b/Tests/FunctionalTests/TestCore/FormFactors/FTestFormFactors.cpp
@@ -92,24 +92,53 @@ void FunctionalTests::FTestFormFactors::run(IFormFactor *p_form_factor)
if (mp_form_factor->getName().substr(10) == "Tetrahedron")
m_results[kTest_Tetrahedron] = simulation.getIntensityData();
-}
+ if (mp_form_factor->getName().substr(10) == "Cuboctahedron")
+ m_results[kTest_Cuboctahedron] = simulation.getIntensityData();
+
+ if (mp_form_factor->getName().substr(10) == "AnisoPyramid")
+ m_results[kTest_AnisoPyramid] = simulation.getIntensityData();
+
+ if (mp_form_factor->getName().substr(10) == "EllipsoidalCylinder")
+ m_results[kTest_Ellipscyl] = simulation.getIntensityData();
+
+ if (mp_form_factor->getName().substr(10) == "FullSpheroid")
+ m_results[kTest_FullSpheroid] = simulation.getIntensityData();
+ if (mp_form_factor->getName().substr(10) == "Spheroid")
+ m_results[kTest_Spheroid] = simulation.getIntensityData();
+
+ if (mp_form_factor->getName().substr(10) == "HemiEllipsoid")
+ m_results[kTest_HemiEllipsoid] = simulation.getIntensityData();
+
+}
int FunctionalTests::FTestFormFactors::analyseResults(const std::string &path_to_data)
-{
+{
const double threshold(2e-10);
const char *reference_files[kNumberOfTests] =
- {"isgi_reference_cylinder_BA.ima.gz","isgi_reference_box_BA.ima.gz",
- "isgi_reference_cone_BA.ima.gz","isgi_reference_cone6_BA.ima.gz",
- "isgi_reference_full_sphere_BA.ima.gz","isgi_reference_parallelepiped_BA.ima.gz",
- "isgi_reference_prism3_BA.ima.gz","isgi_reference_prism6_BA.ima.gz",
- "isgi_reference_pyramid_BA.ima.gz","isgi_reference_sphere_BA.ima.gz",
- "isgi_reference_tetrahedron_BA.ima.gz"};
+ {"isgi_reference_cylinder_BA.ima.gz",
+ "isgi_reference_box_BA.ima.gz",
+ "isgi_reference_cone_BA.ima.gz",
+ "isgi_reference_cone6_BA.ima.gz",
+ "isgi_reference_full_sphere_BA.ima.gz",
+ "isgi_reference_parallelepiped_BA.ima.gz",
+ "isgi_reference_prism3_BA.ima.gz",
+ "isgi_reference_prism6_BA.ima.gz",
+ "isgi_reference_pyramid_BA.ima.gz",
+ "isgi_reference_sphere_BA.ima.gz",
+ "isgi_reference_tetrahedron_BA.ima.gz",
+ "isgi_reference_cuboctahedron_BA.ima.gz",
+ "isgi_reference_anisopyramid_BA.ima.gz",
+ "isgi_reference_ellipscylinder_BA.ima.gz",
+ "isgi_reference_full_spheroid_BA.ima.gz",
+ "isgi_reference_spheroid_BA.ima.gz",
+ "isgi_reference_hemiellipsoid_BA.ima.gz"};
bool status_ok(true);
// retrieving reference data and generated examples
for(size_t i_test=0; i_test<kNumberOfTests; ++i_test) {
- OutputData<double> *reference = OutputDataIOFactory::readIntensityData(path_to_data + reference_files[i_test]);
+ OutputData<double> *reference = OutputDataIOFactory::readIntensityData(
+ path_to_data + reference_files[i_test]);
OutputData<double> *result = m_results[i_test];
// calculating average relative difference
@@ -118,7 +147,8 @@ int FunctionalTests::FTestFormFactors::analyseResults(const std::string &path_to
delete reference;
double diff(0);
- for(OutputData<double>::const_iterator it=result->begin(); it!=result->end(); ++it) {
+ for(OutputData<double>::const_iterator it=result->begin();
+ it!=result->end(); ++it) {
diff+= std::fabs(*it);
}
diff /= result->getAllocatedSize();
@@ -126,7 +156,8 @@ int FunctionalTests::FTestFormFactors::analyseResults(const std::string &path_to
}
- std::cout << m_name << " " << m_description << " " << (status_ok ? "[OK]" : "[FAILED]") << std::endl;
+ /* std::cout << m_name << " " << m_description << " "
+ << (status_ok ? "[OK]" : "[FAILED]") << std::endl;*/
return (status_ok ? 0 : 1);
}
@@ -135,7 +166,8 @@ int FunctionalTests::FTestFormFactors::analyseResults(const std::string &path_to
std::string GetPathToData(int argc, char **argv)
{
if(argc == 2) return argv[1];
- return Utils::FileSystem::GetPathToData("../../../ReferenceData/BornAgain/", argv[0]);
+ return Utils::FileSystem::GetPathToData("../../../ReferenceData/BornAgain/",
+ argv[0]);
}
int main(int argc, char **argv)
@@ -143,58 +175,88 @@ int main(int argc, char **argv)
FunctionalTests::FTestFormFactors test;
//Cylinder
FormFactorCylinder ff_cyl(5.0, 5.0);
- IFormFactor* p_form_factor0 =& ff_cyl;
- test.run(p_form_factor0->clone());
+ IFormFactor* p_ff_cyl =& ff_cyl;
+ test.run(p_ff_cyl->clone());
//Box
FormFactorBox ff_box(10.0, 20.0, 5.0);
- IFormFactor* p_form_factor1 =& ff_box;
- test.run(p_form_factor1->clone());
+ IFormFactor* p_ff_box =& ff_box;
+ test.run(p_ff_box->clone());
//Cone
FormFactorCone ff_cone(5.0, 5.0, Units::deg2rad(54.73 ));
- IFormFactor* p_form_factor2 =& ff_cone;
- test.run(p_form_factor2->clone());
+ IFormFactor* p_ff_cone =& ff_cone;
+ test.run(p_ff_cone->clone());
//Cone6
FormFactorCone6 ff_cone6(2./sqrt(3.)*5.0, 5.0, Units::deg2rad(54.73));
- IFormFactor* p_form_factor3 =& ff_cone6;
- test.run(p_form_factor3->clone());
+ IFormFactor* p_ff_cone6 =& ff_cone6;
+ test.run(p_ff_cone6->clone());
//FullSphere
FormFactorFullSphere ff_fsph(5.0);
- IFormFactor* p_form_factor4 =& ff_fsph;
- test.run(p_form_factor4->clone());
+ IFormFactor* p_ff_fsph =& ff_fsph;
+ test.run(p_ff_fsph->clone());
//Parallelepiped
FormFactorParallelepiped ff_par(5.0, 5.0);
- IFormFactor* p_form_factor5 =& ff_par;
- test.run(p_form_factor5->clone());
+ IFormFactor* p_ff_par =& ff_par;
+ test.run(p_ff_par->clone());
//Prism3
FormFactorPrism3 ff_pr3(5.0, 5.0);
- IFormFactor* p_form_factor6 =& ff_pr3;
- test.run(p_form_factor6->clone());
+ IFormFactor* p_ff_pr3 =& ff_pr3;
+ test.run(p_ff_pr3->clone());
//Prism6
- FormFactorPrism6 ff_pr6(2./sqrt(3.)*5.0, 5.0);
- IFormFactor* p_form_factor7 =& ff_pr6;
- test.run(p_form_factor7->clone());
+ FormFactorPrism6 ff_pr6(2./sqrt(3.)*5.0, 5.0);
+ IFormFactor* p_ff_pr6 =& ff_pr6;
+ test.run(p_ff_pr6->clone());
//Pyramid
FormFactorPyramid ff_pyr(5.0, 5.0, Units::deg2rad(54.73 ));
- IFormFactor* p_form_factor8 =& ff_pyr;
- test.run(p_form_factor8->clone());
+ IFormFactor* p_ff_pyr =& ff_pyr;
+ test.run(p_ff_pyr->clone());
//Sphere
FormFactorSphere ff_sph(5.0, 5.0);
- IFormFactor* p_form_factor9 =& ff_sph;
- test.run(p_form_factor9->clone());
+ IFormFactor* p_ff_sph =& ff_sph;
+ test.run(p_ff_sph->clone());
// Tetrahedron
- FormFactorTetrahedron ff_tetr(5.0, 5.0, Units::deg2rad(54.73 ));
- IFormFactor* p_form_factor10 =& ff_tetr;
- test.run(p_form_factor10->clone());
+ FormFactorTetrahedron ff_tetr(5.0, 4.0, Units::deg2rad(54.73 ));
+ IFormFactor* p_ff_tetr =& ff_tetr;
+ test.run(p_ff_tetr->clone());
+
+ // Cuboctahedron
+ FormFactorCuboctahedron ff_cuboc(5.0, 5.0, 1.0, Units::deg2rad(54.73 ));
+ IFormFactor* p_ff_cuboc =& ff_cuboc;
+ test.run(p_ff_cuboc->clone());
+
+ // Anisotropic Pyramid
+ FormFactorAnisoPyramid ff_anipyr(10.0, 20.0, 5.0, Units::deg2rad(54.73 ));
+ IFormFactor* p_ff_anipyr =& ff_anipyr;
+ test.run(p_ff_anipyr->clone());
+
+ // Ellipsoidal Cylinder
+ FormFactorEllipsoidalCylinder ff_ellipscyl(5.0, 10.0, 5.0);
+ IFormFactor* p_ff_ellipscyl =& ff_ellipscyl;
+ test.run(p_ff_ellipscyl->clone());
+
+ // Full spheroid
+ FormFactorFullSpheroid ff_fspheroid(5.0, 5.0);
+ IFormFactor* p_ff_fspheroid =& ff_fspheroid;
+ test.run(p_ff_fspheroid ->clone());
+
+ // Spheroid
+ FormFactorSpheroid ff_spheroid(5.0, 5.0, 1.0);
+ IFormFactor* p_ff_spheroid =& ff_spheroid;
+ test.run(p_ff_spheroid->clone());
+
+ // HemiEllipsoid
+ FormFactorHemiEllipsoid ff_hemiellipsoid(5.0, 10.0, 5.0);
+ IFormFactor* p_ff_hemiellipsoid=& ff_hemiellipsoid;
+ test.run(p_ff_hemiellipsoid->clone());
return test.analyseResults(GetPathToData(argc, argv));
}
diff --git a/Tests/FunctionalTests/TestCore/FormFactors/FTestFormFactors.h b/Tests/FunctionalTests/TestCore/FormFactors/FTestFormFactors.h
index 63de89211a626afd7812397983eefaae651a2729..3476cae1c1042f69a6e9cb8e8206b539f8339c11 100644
--- a/Tests/FunctionalTests/TestCore/FormFactors/FTestFormFactors.h
+++ b/Tests/FunctionalTests/TestCore/FormFactors/FTestFormFactors.h
@@ -17,14 +17,18 @@ class FTestFormFactors
kTest_FullSphere, kTest_Parallelepiped,
kTest_Prism3, kTest_Prism6,
kTest_Pyramid, kTest_Sphere,
- kTest_Tetrahedron, kNumberOfTests };
+ kTest_Tetrahedron, kTest_Cuboctahedron,
+ kTest_AnisoPyramid, kTest_Ellipscyl,
+ kTest_FullSpheroid, kTest_Spheroid, kTest_HemiEllipsoid,
+ kNumberOfTests };
FTestFormFactors();
~FTestFormFactors();
void run(IFormFactor* p_form_factor = 0);
int analyseResults(const std::string &path_to_data = std::string());
- const OutputData<double> *getOutputData(size_t ntest=0) { return m_results.at(ntest); }
+ const OutputData<double> *getOutputData(size_t ntest=0)
+ { return m_results.at(ntest); }
private:
std::string m_name;
diff --git a/Tests/ReferenceData/BornAgain/isgi_reference_tetrahedron_BA.ima.gz b/Tests/ReferenceData/BornAgain/isgi_reference_tetrahedron_BA.ima.gz
index 22381351b3dd99f6ba69ab42d6ea16cfe9b2e8ce..7abb5f2f1b37b3a8c1b4d29b27f73184de548e42 100644
Binary files a/Tests/ReferenceData/BornAgain/isgi_reference_tetrahedron_BA.ima.gz and b/Tests/ReferenceData/BornAgain/isgi_reference_tetrahedron_BA.ima.gz differ
diff --git a/Tests/ReferenceData/IsGISAXS/FormFactors/isgi_cubooctahedron_BA.inp b/Tests/ReferenceData/IsGISAXS/FormFactors/isgi_cubooctahedron_BA.inp
deleted file mode 100644
index 4cd2bb793c6e2c959fa01e72df1db1252427b137..0000000000000000000000000000000000000000
--- a/Tests/ReferenceData/IsGISAXS/FormFactors/isgi_cubooctahedron_BA.inp
+++ /dev/null
@@ -1,74 +0,0 @@
-##########################################
-# GISAXS SIMULATIONS : INPUT PARAMETERS
-###########################################
-
-# Base filename
-isgi_cubooctahedron_BA
-############################ Framework and beam parameters ############################################
-# Framework Diffuse, Multilayer, Number of index slices, Polarization
- BA LMA 0 25 ss
-# Beam Wavelenght : Lambda(nm), Wl_distribution, Sigma_Wl/Wl, Wl_min(nm), Wl_max(nm), nWl, xWl
- 0.1 none 0.3 0.08 0.12 20 3
-# Beam Alpha_i : Alpha_i(deg), Ai_distribution, Sigma_Ai(deg), Ai_min(deg), Ai_max(deg), nAi, xAi
- 0.2 none 0.1 0.15 0.25 30 2
-# Beam 2Theta_i : 2Theta_i(deg), Ti_distribution, Sigma_Ti(deg), Ti_min(deg), Ti_max(deg), nTi, XTi
- 0 none 0.5 -0.5 0.5 10 2
-# Substrate : n-delta_S, n-beta_S, Layer thickness(nm), n-delta_L, n-beta_L, RMS roughness(nm)
- 6.E-06 2.e-8 0. 1.E-05 5.E-07 0.
-# Particle : n-delta_I, n-beta_I, Depth(nm), n-delta_SH, n-beta_SH
- 6.E-04 2.e-8 0 8.E-04 2.e-8
-################################# Grid parameters ######################################################
-# Ewald mode
- T
-# Output angle (deg) : Two theta min-max, Alphaf min-max, n(1), n(2)
- 0. 2 0 2 100 100
-# Output q(nm-1) : Qx min-max, Qy min-max, Qz min-max, n(1), n(2), n(3)
- -1 1 -1 1 -2 0 200 200 1
-################################## Particle parameters #################################################
-# Number of different particle types
-1
-# Particle type, Probability
-cubooctahedron 1
-# Geometrical parameters : Base angle (deg), Height ratio, Flattening, FS-radii/R
- 54.73 1. 1. 0.8 0.8
-# Shell thicknesses (nm) : dR, dH, dW
- 0 0 0
-# H_uncoupled, W_uncoupled
- T T
-# Size of particle : Radius(nm), R_distribution, SigmaR/R, Rmin(nm), Rmax(nm), nR, xR
- 5 none 0.01 0.1 11 100 4
-# Height aspect ratio : Height/R, H_distribution, SigmaH/H, Hmin/R, Hmax/R, nH, xH, rho_H
- 1 none 0.1 0.1 11 25 2 0
-# Width aspect ratio : Width/R, W_distribution, SigmaW/W, Wmin/R, Wmax/R, nW, xW, rho_W
- 2 none 0.4 1 300 15 2 0
-# Orientation of particle : Zeta(deg), Z_distribution, SigmaZ(deg), Zmin(deg), Zmax(deg), nZ, xZ
- 0 none 20. 0 120 30 2
-##################################### Lattice parameters #################################################
-# Lattice type
- none
-# Interference function : Peak position D(nm), w(nm), Statistics, Eta_Voigt, Size-Distance coupling, Cut-off
- 20 5 gau 0.5 0 10000000
-# Pair correlation function : Density(nm-2), D1(nm), Hard core coverage, CxR
- 0.007 25 0.3 1.
-# Lattice parameters : L(1)(nm), L(2)(nm), Angle(deg, Xi_fixed
- 10 10 90. F
- Xi(deg), Xi_distribution, SigmaXi(deg), Ximin(deg), Ximax(deg), nXi, xXi
- 0 gate 20 0. 240. 3 -2
- Domain sizes DL(nm), DL_distribution, SigmaDL/DL, DLmin(nm), DLmax(nm), nDL, XDL
- 20000 20000 none 0.2 0.2 200 200 10000 10000 10 10 -2 -2
-# Imperfect lattice : Rod description, Rod shape,
- rec_ellip cau cau
- Correlation lenghts(nm), Rod orientation(deg)
- 3000 1000 0 90
-# Paracrystal : Probability description
- ellip
- Disorder factors w(nm), DL-statistical distribution and rod orientation (deg)
- 0.5 0.5 0.5 0.5
- cau cau cau cau
- 0 90 0 90
-# Pattern : Regular pattern content, Number of particles per pattern
- F 2
- Positions xp/L, Debye-Waller factors B11/L1 B22/L1 B12/L1
- 0. 0. 0. 0. 0.
- 0.5 0.5 0. 0. 0.
-
diff --git a/Tests/ReferenceData/IsGISAXS/FormFactors/isgi_tetrahedron_BA.ima b/Tests/ReferenceData/IsGISAXS/FormFactors/isgi_tetrahedron_BA.ima
index b14328105296650bb906f7dd2aa4fbb6e85c388c..64c51b2f879253d256d55a0ef3b94a53804cefa3 100644
--- a/Tests/ReferenceData/IsGISAXS/FormFactors/isgi_tetrahedron_BA.ima
+++ b/Tests/ReferenceData/IsGISAXS/FormFactors/isgi_tetrahedron_BA.ima
@@ -1,100 +1,100 @@
- 4.8596777178E+02 4.8220536436E+02 4.7812880365E+02 4.7375038394E+02 4.6908314371E+02 4.6414079264E+02 4.5893763203E+02 4.5348847513E+02 4.4780855966E+02 4.4191347558E+02 4.3581884052E+02 4.2954130808E+02 4.2309637109E+02 4.1650033773E+02 4.0976925806E+02 4.0291902798E+02 3.9596531810E+02 3.8892350477E+02 3.8180860160E+02 3.7463519846E+02 3.6741740316E+02 3.6016878979E+02 3.5290235189E+02 3.4563046190E+02 3.3836483624E+02 3.3111650677E+02 3.2389579824E+02 3.1671231205E+02 3.0957491612E+02 3.0249174078E+02 2.9547018069E+02 2.8851690230E+02 2.8163785692E+02 2.7483829889E+02 2.6812280854E+02 2.6149531969E+02 2.5495915114E+02 2.4851704183E+02 2.4217118907E+02 2.3592328952E+02 2.2977458233E+02 2.2372589393E+02 2.1777768398E+02 2.1193009202E+02 2.0618298419E+02 2.0053599968E+02 1.9498859632E+02 1.8954009486E+02 1.8418972160E+02 1.7893664883E+02 1.7378003277E+02 1.6871904876E+02 1.6375292316E+02 1.5888096194E+02 1.5410257568E+02 1.4941730062E+02 1.4482481595E+02 1.4032495697E+02 1.3591772422E+02 1.3160328862E+02 1.2738199254E+02 1.2325434698E+02 1.1922102509E+02 1.1528285195E+02 1.1144079114E+02 1.0769592807E+02 1.0404945055E+02 1.0050262687E+02 9.7056781534E+01 9.3713269381E+01 9.0473448065E+01 8.7338649543E+01 8.4310150855E+01 8.1389144613E+01 7.8576709579E+01 7.5873781746E+01 7.3281126273E+01 7.0799310655E+01 6.8428679472E+01 6.6169331042E+01 6.4021096280E+01 6.1983520045E+01 6.0055845203E+01 5.8236999639E+01 5.6525586382E+01 5.4919876981E+01 5.3417808252E+01 5.2016982440E+01 5.0714670839E+01 4.9507820851E+01 4.8393066427E+01 4.7366741815E+01 4.6424898480E+01 4.5563325037E+01 4.4777570009E+01 4.4062967185E+01 4.3414663328E+01 4.2827647958E+01 4.2296784907E+01 4.1816845344E+01
- 4.8537391438E+02 4.8161519650E+02 4.7754264317E+02 4.7316853665E+02 4.6850590460E+02 4.6356844443E+02 4.5837044478E+02 4.5292670442E+02 4.4725244940E+02 4.4136324912E+02 4.3527493170E+02 4.2900349981E+02 4.2256504669E+02 4.1597567427E+02 4.0925141274E+02 4.0240814292E+02 3.9546152165E+02 3.8842691091E+02 3.8131931095E+02 3.7415329804E+02 3.6694296706E+02 3.5970187947E+02 3.5244301678E+02 3.4517873979E+02 3.3792075392E+02 3.3068008051E+02 3.2346703440E+02 3.1629120768E+02 3.0916145954E+02 3.0208591221E+02 2.9507195282E+02 2.8812624093E+02 2.8125472151E+02 2.7446264315E+02 2.6775458095E+02 2.6113446407E+02 2.5460560713E+02 2.4817074532E+02 2.4183207271E+02 2.3559128309E+02 2.2944961309E+02 2.2340788697E+02 2.1746656253E+02 2.1162577767E+02 2.0588539713E+02 2.0024505887E+02 1.9470421964E+02 1.8926219920E+02 1.8391822296E+02 1.7867146234E+02 1.7352107272E+02 1.6846622856E+02 1.6350615532E+02 1.5864015803E+02 1.5386764620E+02 1.4918815497E+02 1.4460136230E+02 1.4010710215E+02 1.3570537363E+02 1.3139634609E+02 1.2718036023E+02 1.2305792533E+02 1.1902971265E+02 1.1509654537E+02 1.1125938507E+02 1.0751931515E+02 1.0387752139E+02 1.0033526999E+02 9.6893883493E+01 9.3554714754E+01 9.0319119554E+01 8.7188428085E+01 8.4163915758E+01 8.1246773718E+01 7.8438079457E+01 7.5738767915E+01 7.3149603443E+01 7.0671152998E+01 6.8303760912E+01 6.6047525567E+01 6.3902278268E+01 6.1867564607E+01 5.9942628540E+01 5.8126399406E+01 5.6417482052E+01 5.4814150222E+01 5.3314343292E+01 5.1915666434E+01 5.0615394224E+01 4.9410477690E+01 4.8297554738E+01 4.7272963880E+01 4.6332761132E+01 4.5472739923E+01 4.4688453822E+01 4.3975241873E+01 4.3328256260E+01 4.2742492063E+01 4.2212818774E+01 4.1734013282E+01
- 4.8359485122E+02 4.7984702104E+02 4.7578630980E+02 4.7142496737E+02 4.6677598692E+02 4.6185302956E+02 4.5667034591E+02 4.5124269532E+02 4.4558526319E+02 4.3971357722E+02 4.3364342310E+02 4.2739076035E+02 4.2097163892E+02 4.1440211718E+02 4.0769818184E+02 4.0087567051E+02 3.9395019733E+02 3.8693708218E+02 3.7985128407E+02 3.7270733900E+02 3.6551930271E+02 3.5830069883E+02 3.5106447238E+02 3.4382294924E+02 3.3658780143E+02 3.2937001862E+02 3.2217988568E+02 3.1502696649E+02 3.0792009384E+02 3.0086736537E+02 2.9387614543E+02 2.8695307259E+02 2.8010407257E+02 2.7333437643E+02 2.6664854341E+02 2.6005048838E+02 2.5354351317E+02 2.4713034164E+02 2.4081315781E+02 2.3459364667E+02 2.2847303718E+02 2.2245214690E+02 2.1653142785E+02 2.1071101294E+02 2.0499076256E+02 1.9937031092E+02 1.9384911140E+02 1.8842648081E+02 1.8310164177E+02 1.7787376311E+02 1.7274199767E+02 1.6770551733E+02 1.6276354488E+02 1.5791538253E+02 1.5316043678E+02 1.4849823947E+02 1.4392846502E+02 1.3945094351E+02 1.3506566989E+02 1.3077280901E+02 1.2657269679E+02 1.2246583741E+02 1.1845289684E+02 1.1453469268E+02 1.1071218081E+02 1.0698643878E+02 1.0335864651E+02 9.9830064326E+01 9.6402008972E+01 9.3075827686E+01 8.9852870857E+01 8.6734463609E+01 8.3721876681E+01 8.0816297027E+01 7.8018798507E+01 7.5330313063E+01 7.2751602756E+01 7.0283233029E+01 6.7925547537E+01 6.5678644881E+01 6.3542357531E+01 6.1516233228E+01 5.9599519095E+01 5.7791148680E+01 5.6089732101E+01 5.4493549428E+01 5.3000547425E+01 5.1608339691E+01 5.0314210249E+01 4.9115120550E+01 4.8007719864E+01 4.6988358949E+01 4.6053106884E+01 4.5197770910E+01 4.4417919082E+01 4.3708905504E+01 4.3065897919E+01 4.2483907353E+01 4.1957819538E+01 4.1482427788E+01
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+ 6.9203044294E-01 6.5628652377E-01 6.2540458623E-01 5.9912920543E-01 5.7719882182E-01 5.5934694822E-01 5.4530337156E-01 5.3479534416E-01 5.2754875972E-01 5.2328930909E-01 5.2174361119E-01 5.2264031471E-01 5.2571116604E-01 5.3069203964E-01 5.3732392674E-01 5.4535387895E-01 5.5453590332E-01 5.6463180575E-01 5.7541198005E-01 5.8665614000E-01 5.9815399232E-01 6.0970584857E-01 6.2112317433E-01 6.3222907451E-01 6.4285871373E-01 6.5285967107E-01 6.6209222900E-01 6.7042959631E-01 6.7775806541E-01 6.8397710456E-01 6.8899938594E-01 6.9275075068E-01 6.9517011233E-01 6.9620930048E-01 6.9583284655E-01 6.9401771384E-01 6.9075297439E-01 6.8603943532E-01 6.7988921738E-01 6.7232528884E-01 6.6338095789E-01 6.5309932689E-01 6.4153271193E-01 6.2874203121E-01 6.1479616606E-01 5.9977129810E-01 5.8375022656E-01 5.6682166931E-01 5.4907955167E-01 5.3062228663E-01 5.1155205025E-01 4.9197405616E-01 4.7199583260E-01 4.5172650571E-01 4.3127609258E-01 4.1075480733E-01 3.9027238354E-01 3.6993741617E-01 3.4985672579E-01 3.3013474800E-01 3.1087295060E-01 2.9216928095E-01 2.7411764563E-01 2.5680742451E-01 2.4032302096E-01 2.2474344977E-01 2.1014196409E-01 1.9658572258E-01 1.8413549761E-01 1.7284542509E-01 1.6276279655E-01 1.5392789344E-01 1.4637386382E-01 1.4012664103E-01 1.3520490410E-01 1.3162007892E-01 1.2937637962E-01 1.2847088889E-01 1.2889367610E-01 1.3062795168E-01 1.3365025639E-01 1.3793068347E-01 1.4343313202E-01 1.5011558952E-01 1.5793044131E-01 1.6682480490E-01 1.7674088683E-01 1.8761635951E-01 1.9938475584E-01 2.1197587895E-01 2.2531622462E-01 2.3932941377E-01 2.5393663259E-01 2.6905707769E-01 2.8460840379E-01 3.0050717145E-01 3.1666929251E-01 3.3301047077E-01 3.4944663567E-01 3.6589436683E-01
+ 6.6447012447E-01 6.3273960023E-01 6.0559610300E-01 5.8278555468E-01 5.6404869077E-01 5.4912223848E-01 5.3774008605E-01 5.2963443854E-01 5.2453695525E-01 5.2217986417E-01 5.2229704904E-01 5.2462510474E-01 5.2890435692E-01 5.3487984208E-01 5.4230224446E-01 5.5092878640E-01 5.6052406904E-01 5.7086086056E-01 5.8172082938E-01 5.9289522013E-01 6.0418547036E-01 6.1540376632E-01 6.2637353661E-01 6.3692988243E-01 6.4691994390E-01 6.5620320191E-01 6.6465171547E-01 6.7215029462E-01 6.7859660958E-01 6.8390123670E-01 6.8798764251E-01 6.9079210695E-01 6.9226358765E-01 6.9236352691E-01 6.9106560357E-01 6.8835543213E-01 6.8423021155E-01 6.7869832659E-01 6.7177890450E-01 6.6350133023E-01 6.5390472334E-01 6.4303737993E-01 6.3095618317E-01 6.1772598586E-01 6.0341896877E-01 5.8811397830E-01 5.7189584732E-01 5.5485470286E-01 5.3708526438E-01 5.1868613629E-01 4.9975909848E-01 4.8040839839E-01 4.6074004821E-01 4.4086113057E-01 4.2087911619E-01 4.0090119655E-01 3.8103363479E-01 3.6138113765E-01 3.4204625136E-01 3.2312878389E-01 3.0472525614E-01 2.8692838416E-01 2.6982659447E-01 2.5350357429E-01 2.3803785828E-01 2.2350245305E-01 2.0996450080E-01 1.9748498285E-01 1.8611846378E-01 1.7591287675E-01 1.6690935020E-01 1.5914207595E-01 1.5263821854E-01 1.4741786542E-01 1.4349401743E-01 1.4087261867E-01 1.3955262489E-01 1.3952610915E-01 1.4077840342E-01 1.4328827466E-01 1.4702813369E-01 1.5196427493E-01 1.5805714539E-01 1.6526164047E-01 1.7352742476E-01 1.8279927538E-01 1.9301744570E-01 2.0411804687E-01 2.1603344501E-01 2.2869267131E-01 2.4202184280E-01 2.5594459106E-01 2.7038249670E-01 2.8525552681E-01 3.0048247320E-01 3.1598138891E-01 3.3167002078E-01 3.4746623563E-01 3.6328843810E-01 3.7905597790E-01
+ 6.3950011260E-01 6.1147749659E-01 5.8777269652E-01 5.6813382854E-01 5.5230473219E-01 5.4002611663E-01 5.3103669484E-01 5.2507430141E-01 5.2187698904E-01 5.2118409967E-01 5.2273730574E-01 5.2628161770E-01 5.3156635400E-01 5.3834606975E-01 5.4638144096E-01 5.5544010098E-01 5.6529742660E-01 5.7573727093E-01 5.8655264100E-01 5.9754631798E-01 6.0853141830E-01 6.1933189437E-01 6.2978297362E-01 6.3973153528E-01 6.4903642415E-01 6.5756870142E-01 6.6521183241E-01 6.7186181182E-01 6.7742722697E-01 6.8182926024E-01 6.8500163167E-01 6.8689048345E-01 6.8745420789E-01 6.8666322095E-01 6.8449968346E-01 6.8095717259E-01 6.7604030600E-01 6.6976432161E-01 6.6215461597E-01 6.5324624426E-01 6.4308338514E-01 6.3171877404E-01 6.1921310799E-01 6.0563442586E-01 5.9105746732E-01 5.7556301439E-01 5.5923721902E-01 5.4217092047E-01 5.2445895606E-01 5.0619946895E-01 4.8749321641E-01 4.6844288218E-01 4.4915239613E-01 4.2972626468E-01 4.1026891508E-01 3.9088405663E-01 3.7167406162E-01 3.5273936899E-01 3.3417791293E-01 3.1608457927E-01 2.9855069137E-01 2.8166352803E-01 2.6550587484E-01 2.5015561081E-01 2.3568533167E-01 2.2216201083E-01 2.0964669930E-01 1.9819426495E-01 1.8785317196E-01 1.7866530052E-01 1.7066580704E-01 1.6388302471E-01 1.5833840400E-01 1.5404649269E-01 1.5101495462E-01 1.4924462631E-01 1.4872961028E-01 1.4945740385E-01 1.5140906197E-01 1.5455939255E-01 1.5887718243E-01 1.6432545233E-01 1.7086173865E-01 1.7843840007E-01 1.8700294695E-01 1.9649839098E-01 2.0686361314E-01 2.1803374724E-01 2.2994057697E-01 2.4251294381E-01 2.5567716352E-01 2.6935744863E-01 2.8347633470E-01 2.9795510781E-01 3.1271423104E-01 3.2767376758E-01 3.4275379827E-01 3.5787483148E-01 3.7295820312E-01 3.8792646501E-01
diff --git a/Tests/UnitTests/TestCore/FormFactorTest.h b/Tests/UnitTests/TestCore/FormFactorTest.h
index 076edb53efe28ab6e075628717d1f14e7bc77092..d867719f5f5910b9a987fef4479d1261872528d9 100644
--- a/Tests/UnitTests/TestCore/FormFactorTest.h
+++ b/Tests/UnitTests/TestCore/FormFactorTest.h
@@ -15,22 +15,22 @@
#ifndef FORMFACTORTEST_H
#define FORMFACTORTEST_H
-//#include "FormFactorAnisoPyramid.h"
+#include "FormFactorAnisoPyramid.h"
#include "FormFactorBox.h"
#include "FormFactorCone.h"
#include "FormFactorCone6.h"
#include "FormFactorCylinder.h"
-//#include "FormFactorCuboctahedron.h"
-#include "FormFactorEllipsoid.h"
+#include "FormFactorCuboctahedron.h"
+#include "FormFactorEllipsoidalCylinder.h"
#include "FormFactorFullSphere.h"
#include "FormFactorFullSpheroid.h"
-//#include "FormFactorHemiSpheroid.h"
+#include "FormFactorHemiEllipsoid.h"
#include "FormFactorParallelepiped.h"
#include "FormFactorPrism3.h"
#include "FormFactorPrism6.h"
#include "FormFactorPyramid.h"
#include "FormFactorSphere.h"
-//#include "FormFactorSpheroid.h"
+#include "FormFactorSpheroid.h"
#include "FormFactorTetrahedron.h"
#include "gtest/gtest.h"
@@ -42,6 +42,66 @@ class FormFactorTest : public ::testing::Test
virtual ~FormFactorTest(){}
};
+
+//Test form factor of an anisotropic pyramid
+TEST_F(FormFactorTest, AnisoPyramid)
+{
+ double length = 12.;
+ double height = 5.;
+ double width = 14.;
+ double alpha = 0.8;
+ double tga = std::tan(alpha);
+ double volume = height*(length*width
+ - (length + width)*height/tga
+ + 4.0/3.0*height*height/(tga*tga));
+
+ FormFactorAnisoPyramid anisopyramid(length, width, height, alpha);
+
+ EXPECT_EQ("FormFactorAnisoPyramid",anisopyramid.getName());
+ EXPECT_DOUBLE_EQ(volume, anisopyramid.getVolume());
+ EXPECT_EQ(12., anisopyramid.getLength());
+ EXPECT_EQ(14., anisopyramid.getWidth());
+ EXPECT_EQ(5., anisopyramid.getHeight());
+ EXPECT_EQ(0.8, anisopyramid.getAlpha());
+ EXPECT_EQ((int)4, anisopyramid.getNumberOfStochasticParameters());
+
+ FormFactorAnisoPyramid *anisopyramidclone = anisopyramid.clone();
+ EXPECT_EQ("FormFactorAnisoPyramid",anisopyramidclone->getName());
+ EXPECT_DOUBLE_EQ(volume, anisopyramidclone->getVolume());
+ EXPECT_EQ(12., anisopyramidclone->getLength());
+ EXPECT_EQ(14., anisopyramidclone->getWidth());
+ EXPECT_EQ(5., anisopyramidclone->getHeight());
+ EXPECT_EQ(0.8, anisopyramidclone->getAlpha());
+ EXPECT_EQ((int)4, anisopyramidclone->getNumberOfStochasticParameters());
+}
+
+//Test form factor of an hemiellipsoid
+TEST_F(FormFactorTest, HemiEllipsoid)
+{
+ double radius_a = 6.;
+ double radius_b = 7.;
+ double height = 5.;
+
+ double volume = 2.*M_PI*radius_a*radius_b*height/3.;
+
+ FormFactorHemiEllipsoid hemiellipsoid(radius_a, radius_b, height);
+
+ EXPECT_EQ("FormFactorHemiEllipsoid",hemiellipsoid.getName());
+ EXPECT_EQ(6., hemiellipsoid.getRadiusA());
+ EXPECT_EQ(7., hemiellipsoid.getRadiusB());
+ EXPECT_EQ(5., hemiellipsoid.getHeight());
+ EXPECT_DOUBLE_EQ(volume, hemiellipsoid.getVolume());
+ EXPECT_EQ((int)3, hemiellipsoid.getNumberOfStochasticParameters());
+
+ FormFactorHemiEllipsoid *hemiellipsoidclone = hemiellipsoid.clone();
+ EXPECT_EQ("FormFactorHemiEllipsoid",hemiellipsoidclone->getName());
+ EXPECT_EQ(6., hemiellipsoidclone->getRadiusA());
+ EXPECT_EQ(7., hemiellipsoidclone->getRadiusB());
+ EXPECT_EQ(5., hemiellipsoidclone->getHeight());
+ EXPECT_DOUBLE_EQ(volume, hemiellipsoidclone->getVolume());
+ EXPECT_EQ((int)3, hemiellipsoidclone->getNumberOfStochasticParameters());
+}
+
// Test form factor of a box
TEST_F(FormFactorTest, Box)
{
@@ -60,7 +120,6 @@ TEST_F(FormFactorTest, Box)
EXPECT_EQ(3, box.getNumberOfStochasticParameters());
FormFactorBox *boxclone = box.clone();
-
EXPECT_EQ("FormFactorBox",boxclone->getName());
EXPECT_EQ(7., boxclone->getWidth());
EXPECT_EQ(5., boxclone->getHeight());
@@ -72,9 +131,9 @@ TEST_F(FormFactorTest, Box)
// Test form factor of a cone
TEST_F(FormFactorTest, Cone)
{
- double radius = 3.;
+ double radius = 6.;
double height = 5.;
- double alpha = 0.5;
+ double alpha = 0.8;
double tga = std::tan(alpha);
double HdivRtga = height/tga/radius;
double volume = M_PI/3.*tga*radius*radius*radius*
@@ -83,16 +142,15 @@ TEST_F(FormFactorTest, Cone)
FormFactorCone cone(radius, height, alpha);
EXPECT_EQ("FormFactorCone",cone.getName());
- EXPECT_EQ(3., cone.getRadius());
+ EXPECT_EQ(6., cone.getRadius());
EXPECT_EQ(5., cone.getHeight());
EXPECT_EQ(0.5, cone.getAlpha());
EXPECT_DOUBLE_EQ(volume, cone.getVolume());
EXPECT_EQ((int)3, cone.getNumberOfStochasticParameters());
FormFactorCone *coneclone = cone.clone();
-
EXPECT_EQ("FormFactorCone",coneclone->getName());
- EXPECT_EQ(3., coneclone->getRadius());
+ EXPECT_EQ(6., coneclone->getRadius());
EXPECT_EQ(5., coneclone->getHeight());
EXPECT_EQ(0.5, coneclone->getAlpha());
EXPECT_DOUBLE_EQ(volume, coneclone->getVolume());
@@ -102,9 +160,9 @@ TEST_F(FormFactorTest, Cone)
// Test form factor of a cone6
TEST_F(FormFactorTest, Cone6)
{
- double radius = 3.;
+ double radius = 6.;
double height = 5.;
- double alpha = 0.5;
+ double alpha = 0.8;
double tga = std::tan(alpha);
double HdivRtga = 2.*height/tga/radius/std::sqrt(3.);
double volume = 3./4.*tga*radius*radius*radius*
@@ -113,16 +171,15 @@ TEST_F(FormFactorTest, Cone6)
FormFactorCone6 cone6(radius, height, alpha);
EXPECT_EQ("FormFactorCone6",cone6.getName());
- EXPECT_EQ(3., cone6.getRadius());
+ EXPECT_EQ(6., cone6.getRadius());
EXPECT_EQ(5., cone6.getHeight());
EXPECT_EQ(0.5, cone6.getAlpha());
EXPECT_DOUBLE_EQ(volume, cone6.getVolume());
EXPECT_EQ((int)3, cone6.getNumberOfStochasticParameters());
FormFactorCone6 *cone6clone = cone6.clone();
-
EXPECT_EQ("FormFactorCone6",cone6clone->getName());
- EXPECT_EQ(3., cone6clone->getRadius());
+ EXPECT_EQ(6., cone6clone->getRadius());
EXPECT_EQ(5., cone6clone->getHeight());
EXPECT_EQ(0.5, cone6clone->getAlpha());
EXPECT_DOUBLE_EQ(volume, cone6clone->getVolume());
@@ -130,31 +187,41 @@ TEST_F(FormFactorTest, Cone6)
}
// Test form factor of a cuboctahedron
-//TEST_F(FormFactorTest, Cuboctahedron)
-//{
-// double radius = 3.;
-// double height = 4;
-// double height_ratio = 1.;
-// double alpha = 0.5;
-
-// double tga = std::tan(alpha);
-// double HdivRtga = height/half_side/tga;
-// double ratioHdivRtga = height_ratio*height/half_side/tga;
-//double volume = 4./3.*tga*half_side*half_side*half_side*( 2.
-// - (1. - HdivRtga)*(1. - HdivRtga)*(1. - HdivRtga)
-// - (1. - ratioHdivRtga)*(1. - ratioHdivRtga)*(1. - ratioHdivRtga));
-
- // FormFactorCuboctahedron cuboctahedron(radius, width, height, alpha);
-
- // EXPECT_EQ(4., cuboctahedron.getHeight());
- // EXPECT_EQ(3., cuboctahedron.getRadius());
- // EXPECT_EQ(5., cuboctahedron.getWidth());
- //EXPECT_EQ(5., cuboctahedron.getVolume());
- // EXPECT_EQ(2, ellipsoid.getNumberOfStochasticParameters());
+TEST_F(FormFactorTest, Cuboctahedron)
+{
+ double half_side = 5.;
+ double height = 4;
+ double height_ratio = 1.;
+ double alpha = 0.8;
- //FormFactorCuboctahedron *cuboctahedronclone = cuboctahedron.clone();
+ double tga = std::tan(alpha);
+ double HdivRtga = height/half_side/tga;
+ double ratioHdivRtga = height_ratio*height/half_side/tga;
+ double volume = 4./3.*tga*half_side*half_side*half_side*( 2.
+ - (1. - HdivRtga)*(1. - HdivRtga)*(1. - HdivRtga)
+ - (1. - ratioHdivRtga)*(1. - ratioHdivRtga)*(1. - ratioHdivRtga));
+
+ FormFactorCuboctahedron cuboctahedron(half_side, height,
+ height_ratio, alpha);
+
+ EXPECT_EQ("FormFactorCuboctahedron",cuboctahedron.getName());
+ EXPECT_EQ(4., cuboctahedron.getHeight());
+ EXPECT_EQ(5., cuboctahedron.getHalfSide());
+ EXPECT_EQ(1., cuboctahedron.getHeightRatio());
+ EXPECT_EQ(0.8, cuboctahedron.getAlpha());
+ EXPECT_DOUBLE_EQ(volume, cuboctahedron.getVolume());
+ EXPECT_EQ((int)4, cuboctahedron.getNumberOfStochasticParameters());
+
+ FormFactorCuboctahedron *cuboctahedronclone = cuboctahedron.clone();
+ EXPECT_EQ("FormFactorCuboctahedron",cuboctahedronclone->getName());
+ EXPECT_EQ(4., cuboctahedronclone->getHeight());
+ EXPECT_EQ(5., cuboctahedronclone->getHalfSide());
+ EXPECT_EQ(1., cuboctahedronclone->getHeightRatio());
+ EXPECT_EQ(0.8, cuboctahedronclone->getAlpha());
+ EXPECT_DOUBLE_EQ(volume, cuboctahedron.getVolume());
+ EXPECT_EQ((int)4, cuboctahedronclone->getNumberOfStochasticParameters());
-//}
+}
// Test form factor of a cylinder
TEST_F(FormFactorTest, Cylinder)
@@ -164,7 +231,6 @@ TEST_F(FormFactorTest, Cylinder)
double volume = M_PI*radius*radius*height;
FormFactorCylinder cylinder(height,radius);
-
EXPECT_EQ("FormFactorCylinder",cylinder.getName());
EXPECT_EQ(5., cylinder.getHeight());
EXPECT_EQ(3., cylinder.getRadius());
@@ -172,7 +238,6 @@ TEST_F(FormFactorTest, Cylinder)
EXPECT_EQ((int)2, cylinder.getNumberOfStochasticParameters());
FormFactorCylinder *cylinderclone = cylinder.clone();
-
EXPECT_EQ("FormFactorCylinder",cylinderclone->getName());
EXPECT_EQ(5., cylinderclone->getHeight());
EXPECT_EQ(3., cylinderclone-> getRadius());
@@ -180,27 +245,32 @@ TEST_F(FormFactorTest, Cylinder)
EXPECT_EQ((int)2, cylinderclone-> getNumberOfStochasticParameters());
}
-// Test form factor of an ellipsoid - check form factor
-//TEST_F(FormFactorTest, Ellipsoid)
-//{
-// double radius = 3.;
-// double width = 5.;
-// double height = 4;
-// double alpha = 0.5;
- //double volume = ;
-
- // FormFactorEllipsoid ellipsoid(radius, width, height, alpha);
-
- // EXPECT_EQ("FormFactorEllipsoid",ellipsoid.getName());
- // EXPECT_EQ(4., ellipsoid.getHeight());
- // EXPECT_EQ(3., ellipsoid.getRadius());
- // EXPECT_EQ(5., ellipsoid.getWidth());
- // EXPECT_EQ(5., ellipsoid.getVolume());
- // EXPECT_EQ(2, ellipsoid.getNumberOfStochasticParameters());
-
- //FormFactorEllipsoid *ellispoidclone = ellipsoid.clone();
+// Test form factor of an ellipsoidal cylinder
+TEST_F(FormFactorTest, EllipsoidalCylinder)
+{
+ double radius = 3.;
+ double width = 5.;
+ double height = 4;
+ double volume = M_PI*radius*width*height;
+
+ FormFactorEllipsoidalCylinder ellipscyl(radius, width, height);
+
+ EXPECT_EQ("FormFactorEllipsoidalCylinder",ellipscyl.getName());
+ EXPECT_EQ(4., ellipscyl.getHeight());
+ EXPECT_EQ(3., ellipscyl.getRadius());
+ EXPECT_EQ(5., ellipscyl.getWidth());
+ EXPECT_DOUBLE_EQ(volume, ellipscyl.getVolume());
+ EXPECT_EQ((int)3, ellipscyl.getNumberOfStochasticParameters());
+
+ FormFactorEllipsoidalCylinder *ellipscylclone = ellipscyl.clone();
+ EXPECT_EQ("FormFactorEllipsoidalCylinder",ellipscylclone->getName());
+ EXPECT_EQ(4., ellipscylclone->getHeight());
+ EXPECT_EQ(3., ellipscylclone->getRadius());
+ EXPECT_EQ(5., ellipscylclone->getWidth());
+ EXPECT_DOUBLE_EQ(volume, ellipscylclone->getVolume());
+ EXPECT_EQ((int)3, ellipscylclone->getNumberOfStochasticParameters());
-//}
+}
// Test form factor of a full sphere
TEST_F(FormFactorTest, FullSphere)
@@ -229,21 +299,22 @@ TEST_F(FormFactorTest, FullSpheroid)
{
double radius = 3.;
double height = 5.;
- // double volume = 2./3.*M_PI*radius*radius*height;
+ double volume = 2./3.*M_PI*radius*radius*height;
FormFactorFullSpheroid fullspheroid(radius,height);
EXPECT_EQ("FormFactorFullSpheroid",fullspheroid.getName());
EXPECT_EQ(3., fullspheroid.getRadius());
EXPECT_EQ(5., fullspheroid.getHeight());
- // EXPECT_EQ(volume, fullspheroid.getVolume());
+ EXPECT_DOUBLE_EQ(volume, fullspheroid.getVolume());
EXPECT_EQ((int)2, fullspheroid.getNumberOfStochasticParameters());
- // FormFactorFullSpheroid *fullspheroidclone = fullspheroid.clone();
- // EXPECT_EQ(3., fullspheroidclone->getRadius());
- // EXPECT_EQ(5, fullspheroidclone->getHeight());
- /* EXPECT_EQ(volume, fullspheroidclone->getVolume());
- EXPECT_EQ((int)2, fullspheroidclone->getNumberOfStochasticParameters());*/
+ FormFactorFullSpheroid *fullspheroidclone = fullspheroid.clone();
+ EXPECT_EQ("FormFactorFullSpheroid",fullspheroidclone->getName());
+ EXPECT_EQ(3., fullspheroidclone->getRadius());
+ EXPECT_EQ(5, fullspheroidclone->getHeight());
+ EXPECT_DOUBLE_EQ(volume, fullspheroidclone->getVolume());
+ EXPECT_EQ((int)2, fullspheroidclone->getNumberOfStochasticParameters());
}
@@ -288,7 +359,7 @@ TEST_F(FormFactorTest, Prism3)
FormFactorPrism3 *prism3clone = prism3.clone();
EXPECT_EQ("FormFactorPrism3",prism3clone->getName());
- EXPECT_EQ(double(4.), prism3clone->getHeight());
+ EXPECT_EQ(4., prism3clone->getHeight());
EXPECT_EQ(3., prism3clone->getHalfSide());
EXPECT_DOUBLE_EQ(volume, prism3clone->getVolume());
EXPECT_EQ((int)2, prism3clone->getNumberOfStochasticParameters());
@@ -322,8 +393,8 @@ TEST_F(FormFactorTest, Prism6)
TEST_F(FormFactorTest, Pyramid)
{
double height = 4.;
- double half_side = 3.;
- double alpha = 0.5;
+ double half_side = 5.;
+ double alpha = 0.8;
double tga = std::tan(alpha);
double HdivRtga = height/half_side/tga;
double volume = 4./3.*tga*half_side*half_side*half_side*( 1.
@@ -365,16 +436,43 @@ TEST_F(FormFactorTest, Sphere)
FormFactorSphere *sphereclone = sphere.clone();
EXPECT_EQ("FormFactorSphere", sphereclone->getName());
- EXPECT_EQ(3., sphereclone->getHeight());
+ EXPECT_DOUBLE_EQ(3., sphereclone->getHeight());
EXPECT_EQ((int)2, sphereclone->getNumberOfStochasticParameters());
}
+// Test form factor of a spheroid
+TEST_F(FormFactorTest, Spheroid)
+{
+ double height = 5.;
+ double radius = 3.;
+ double flattening = 1.5;
+ double total_height =2.*flattening *radius;
+ double volume = M_PI*radius*height/flattening*(1.-height/(3.*flattening*radius));
+
+ FormFactorSpheroid spheroid(radius, height,flattening);
+
+ EXPECT_EQ("FormFactorSpheroid", spheroid.getName());
+ EXPECT_EQ(5., spheroid.getHeight());
+ EXPECT_EQ(3., spheroid.getRadius());
+ EXPECT_DOUBLE_EQ(total_height, spheroid.getHeightFullSpheroid());
+ EXPECT_DOUBLE_EQ(volume, spheroid.getVolume());
+ EXPECT_EQ((int)3, spheroid.getNumberOfStochasticParameters());
+
+ FormFactorSpheroid *spheroidclone = spheroid.clone();
+ EXPECT_EQ("FormFactorSpheroid", spheroidclone->getName());
+ EXPECT_EQ(5., spheroidclone->getHeight());
+ EXPECT_EQ(3., spheroidclone->getRadius());
+ EXPECT_DOUBLE_EQ(total_height, spheroidclone->getHeightFullSpheroid());
+ EXPECT_DOUBLE_EQ(volume, spheroidclone->getVolume());
+ EXPECT_EQ((int)3, spheroidclone->getNumberOfStochasticParameters());
+}
+
// Test form factor of a tetrahedron
TEST_F(FormFactorTest, Tetrahedron)
{
- double height = 5.;
- double half_side = 3.;
- double alpha = 0.5;
+ double height = 4.;
+ double half_side = 8.;
+ double alpha = 0.8;
double tga = std::tan(alpha);
double sqrt3HdivRtga = std::sqrt(3.)*height/half_side/tga;
double volume = tga/3.*half_side*half_side*half_side*(
@@ -390,7 +488,6 @@ TEST_F(FormFactorTest, Tetrahedron)
EXPECT_EQ((int)3, tetrahedron.getNumberOfStochasticParameters());
FormFactorTetrahedron *tetrahedronclone = tetrahedron.clone();
-
EXPECT_EQ("FormFactorTetrahedron", tetrahedronclone->getName());
EXPECT_EQ(5., tetrahedronclone->getHeight());
EXPECT_EQ(3., tetrahedronclone->getHalfSide());
@@ -399,5 +496,7 @@ TEST_F(FormFactorTest, Tetrahedron)
EXPECT_EQ((int)3, tetrahedronclone->getNumberOfStochasticParameters());
}
+
+
#endif // FORMFACTORTEST_H
diff --git a/dev-tools/python-bindings/MakePyCore.py b/dev-tools/python-bindings/MakePyCore.py
index 8c66bb61a66bbfcc29fa9ee70f897b0ce61b24aa..2b8116030ebf60d4cc7e2ab557b06a2315dd1e06 100644
--- a/dev-tools/python-bindings/MakePyCore.py
+++ b/dev-tools/python-bindings/MakePyCore.py
@@ -40,16 +40,19 @@ include_classes = [
"Crystal",
"Detector",
"FTDistribution2DCauchy",
+ "FormFactorAnisoPyramid",
"FormFactorBox",
"FormFactorCone",
+ "FormFactorCone6",
+ "FormFactorCuboctahedron",
"FormFactorCylinder",
"FormFactorCrystal",
"FormFactorDecoratorDebyeWaller",
- "FormFactorEllipsoid",
+ "FormFactorEllipsoidalCylinder",
"FormFactorFullSphere",
"FormFactorFullSpheroid",
"FormFactorGauss",
- "FormFactorHemiSpheroid",
+ "FormFactorHemiEllipsoid",
"FormFactorLorentz",
"FormFactorParallelepiped",
"FormFactorPrism3",
@@ -57,6 +60,7 @@ include_classes = [
"FormFactorPyramid",
"FormFactorSphere",
"FormFactorSphereGaussianRadius",
+ "FormFactorSpheroid",
"HomogeneousMaterial",
"IAxis",
"ICloneable",