From 6921f123e8e6ad65d97fde94e63d1e4f79cf7ed3 Mon Sep 17 00:00:00 2001
From: Celine Durniak <c.durniak@fz-juelich.de>
Date: Wed, 4 Dec 2013 17:09:47 +0100
Subject: [PATCH] New form factor of cuboctahedron
---
.../FormFactors/inc/FormFactorCuboctahedron.h | 68 +++++++++
.../src/FormFactorCuboctahedron.cpp | 138 ++++++++++++++++++
2 files changed, 206 insertions(+)
create mode 100644 Core/FormFactors/inc/FormFactorCuboctahedron.h
create mode 100644 Core/FormFactors/src/FormFactorCuboctahedron.cpp
diff --git a/Core/FormFactors/inc/FormFactorCuboctahedron.h b/Core/FormFactors/inc/FormFactorCuboctahedron.h
new file mode 100644
index 00000000000..789af5445a7
--- /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/src/FormFactorCuboctahedron.cpp b/Core/FormFactors/src/FormFactorCuboctahedron.cpp
new file mode 100644
index 00000000000..13586c75ae0
--- /dev/null
+++ b/Core/FormFactors/src/FormFactorCuboctahedron.cpp
@@ -0,0 +1,138 @@
+// ************************************************************************** //
+//
+// 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;
+ 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*/;
+}
--
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