Added interfaces for nano particle decorators

App/src/TestDiffuseReflection.cpp

@@ -136,7 +136,7 @@ void TestDiffuseReflection::draw()
     {
         double alpha_i = m_data_spec->getCurrentValueOfAxis<double>("alpha_i");
         double r = m_data_spec->next();
-        gr->SetPoint(m_data_spec->getCoordinate("alpha_i"), Units::rad2deg(alpha_i), r);
+        gr->SetPoint(m_data_spec->getCurrentIndexOfAxis("alpha_i"), Units::rad2deg(alpha_i), r);
     }
 
     // off specular plot

Core/Core.pro

@@ -28,7 +28,6 @@ SOURCES += \
     src/MaterialManager.cpp \
     src/StochasticGaussian.cpp \
     src/MathFunctions.cpp \
-    src/DispersedParticleDecorator.cpp \
     src/FormFactorCylinder.cpp \
     src/Types.cpp \
     src/DoubleToComplexInterpolatingFunction.cpp \
@@ -36,7 +35,8 @@ SOURCES += \
     src/ISingleton.cpp \
     src/IFunctionalTest.cpp \
     src/IFactory.cpp \
-    src/DWBADiffuseReflection.cpp
+    src/DWBADiffuseReflection.cpp \
+    src/NanoParticleDecorator.cpp
 
 HEADERS += \
     inc/ISample.h \
@@ -60,7 +60,6 @@ HEADERS += \
     inc/IStochasticParameter.h \
     inc/StochasticGaussian.h \
     inc/MathFunctions.h \
-    inc/DispersedParticleDecorator.h \
     inc/IFormFactor.h \
     inc/FormFactorCylinder.h \
     inc/StochasticDiracDelta.h \
@@ -72,7 +71,9 @@ HEADERS += \
     inc/IFunctionalTest.h \
     inc/IFactory.h \
     inc/Numeric.h \
-    inc/DWBADiffuseReflection.h
+    inc/DWBADiffuseReflection.h \
+    inc/NanoParticleDecorator.h \
+    inc/IDispersalState.h
 
 INCLUDEPATH += /opt/local/include ./inc
 DEPENDPATH += ./inc

Core/inc/DispersedParticleDecorator.h → Core/inc/IDispersalState.h

-#ifndef DISPERSEDPARTICLEDECORATOR_H
-#define DISPERSEDPARTICLEDECORATOR_H
+#ifndef IDISPERSALSTATE_H_
+#define IDISPERSALSTATE_H_
 // ********************************************************************
 // * The BornAgain project                                            *
 // * Simulation of neutron and x-ray scattering at grazing incidence  *
@@ -9,25 +9,22 @@
 // * eget quam orci. Quisque  porta  varius  dui,  quis  posuere nibh *
 // * mollis quis. Mauris commodo rhoncus porttitor.                   *
 // ********************************************************************
-//! @file   DispersedParticleDecorator.h
-//! @brief  Defenition of DispersedParticleDecorator
+//! @file   IDispersalState.h
+//! @brief  Definition of IDispersalState
 //! @author Scientific Computing Group at FRM II
-//! @date   01.05.2012
+//! @date   12.06.2012
 
-#include "ISample.h"
-
-
-class DispersedParticleDecorator : public ISample
+//- -------------------------------------------------------------------
+//! @class IDispersalState
+//! @brief Definition of IDispersalState interface
+//- -------------------------------------------------------------------
+class IDispersalState
 {
 public:
-    DispersedParticleDecorator(ISample* p_sub_sample);
-    virtual ~DispersedParticleDecorator() {}
+	virtual ~IDispersalState() {}
 
-    ISample* getSubSample() const { return mp_sub_sample; }
+};
 
-private:
-    ISample* mp_sub_sample;
 
-};
 
-#endif // DISPERSEDPARTICLEDECORATOR_H
+#endif /* IDISPERSALSTATE_H_ */

Core/inc/IFormFactor.h

@@ -10,19 +10,30 @@
 // * mollis quis. Mauris commodo rhoncus porttitor.                   *
 // ********************************************************************
 //! @file   IFormFactor.h
-//! @brief  Definition of IFormFactor
+//! @brief  Definition of IFormFactor and IBornFormFactor
 //! @author Scientific Computing Group at FRM II
 //! @date   01.04.2012
 
 #include "Types.h"
 
 
+//- -------------------------------------------------------------------
+//! @class IFormFactor
+//! @brief Definition of IFormfactor interface
+//- -------------------------------------------------------------------
 class IFormFactor
 {
 public:
     virtual ~IFormFactor() {}
 
+    /// calculate scattering amplitude
+    ///
+    /// calculate scattering amplitude
+    /// @param k_i   incoming wavevector
+    /// @param k_f   outgoing wavevector
     virtual complex_t evaluate(kvector_t k_i, kvector_t k_f) const=0;
+
+    /// return number of variable/stochastic parameters
     virtual int getNumberOfStochasticParameters() { return 0; }
 };
 
@@ -36,6 +47,8 @@ public:
     	return evaluate_for_q(k_i - k_f);
     }
 protected:
+    /// evaluate scattering amplitude
+    /// @param q  wavevector transfer \f$q\equiv k_i-k_f\f$
     virtual complex_t evaluate_for_q(kvector_t q) const=0;
 };
 

Core/inc/Layer.h

@@ -32,7 +32,7 @@ public:
     Layer &operator=(const Layer &other);
     virtual ~Layer();
 
-    //! make layer's clone
+    /// make layer's clone
     virtual Layer *clone() const;
 
     /// set layer thickness in _angstrom_

Core/inc/NanoParticle.h

@@ -18,6 +18,10 @@
 #include "IFormFactor.h"
 
 
+//- -------------------------------------------------------------------
+//! @class NanoParticle
+//! @brief Definition of a nanoparticle with a form factor
+//- -------------------------------------------------------------------
 class NanoParticle : public ISample
 {
 public:
@@ -25,7 +29,7 @@ public:
     virtual ~NanoParticle();
 
 private:
-    IFormFactor* mp_form_factor;
+    IFormFactor* mp_form_factor;  ///< pointer to the form factor
 };
 
 #endif // NANOPARTICLE_H

Core/inc/NanoParticleDecorator.h

+#ifndef NANOPARTICLEDECORATOR_H
+#define NANOPARTICLEDECORATOR_H
+// ********************************************************************
+// * The BornAgain project                                            *
+// * Simulation of neutron and x-ray scattering at grazing incidence  *
+// *                                                                  *
+// * LICENSE AND DISCLAIMER                                           *
+// * Lorem ipsum dolor sit amet, consectetur adipiscing elit.  Mauris *
+// * eget quam orci. Quisque  porta  varius  dui,  quis  posuere nibh *
+// * mollis quis. Mauris commodo rhoncus porttitor.                   *
+// ********************************************************************
+//! @file   NanoParticleDecorator.h
+//! @brief  Definition of NanoParticleDecorator
+//! @author Scientific Computing Group at FRM II
+//! @date   23.05.2012
+
+#include "NanoParticle.h"
+
+//- -------------------------------------------------------------------
+//! @class NanoParticleDecorator
+//! @brief Definition of decorator class that adds nano particles to ISample objects
+//- -------------------------------------------------------------------
+class NanoParticleDecorator : public ISample
+{
+public:
+	NanoParticleDecorator(ISample *p_sub_sample);
+	virtual ~NanoParticleDecorator() {}
+
+	/// Return decorated sample
+	ISample* getSubSample() const { return mp_sub_sample; }
+
+private:
+	std::vector<NanoParticle *> m_particles;  ///< Vector of the types of nano particles
+    ISample* mp_sub_sample;                   ///< Decorated ISample object
+
+};
+
+
+#endif // NANOPARTICLEDECORATOR_H

Core/src/DispersedParticleDecorator.cpp

-#include "DispersedParticleDecorator.h"
-
-DispersedParticleDecorator::DispersedParticleDecorator(ISample *p_sub_sample)
-    : mp_sub_sample(p_sub_sample)
-{
-}

Core/src/NanoParticleDecorator.cpp

+#include "NanoParticleDecorator.h"
+
+/* ************************************************************************* */
+NanoParticleDecorator::NanoParticleDecorator(ISample *p_sub_sample)
+: mp_sub_sample(p_sub_sample)
+{
+}
+
+/* ************************************************************************* */