merge files ProfileRipple*

Core/HardParticle/FormFactorRipple1.h

@@ -15,7 +15,7 @@
 #ifndef BORNAGAIN_CORE_HARDPARTICLE_FORMFACTORRIPPLE1_H
 #define BORNAGAIN_CORE_HARDPARTICLE_FORMFACTORRIPPLE1_H
 
-#include "Core/HardParticle/ProfileRipple1.h"
+#include "Core/HardParticle/IProfileRipple.h"
 
 //! The form factor for a cosine ripple, with box profile in elongation direction.
 //! @ingroup legacyGrating

Core/HardParticle/FormFactorRipple2.h

@@ -15,7 +15,7 @@
 #ifndef BORNAGAIN_CORE_HARDPARTICLE_FORMFACTORRIPPLE2_H
 #define BORNAGAIN_CORE_HARDPARTICLE_FORMFACTORRIPPLE2_H
 
-#include "Core/HardParticle/ProfileRipple2.h"
+#include "Core/HardParticle/IProfileRipple.h"
 
 //! The form factor for a cosine ripple, with box profile in elongation direction.
 //! @ingroup legacyGrating

Core/HardParticle/ProfileRipple2.cpp → Core/HardParticle/IProfileRipple.cpp

@@ -2,7 +2,7 @@
 //
 //  BornAgain: simulate and fit scattering at grazing incidence
 //
-//! @file      Core/HardParticle/ProfileRipple2.cpp
+//! @file      Core/HardParticle/IProfileRipple.cpp
 //! @brief     Implements class ProfileRipple2.
 //!
 //! @homepage  http://www.bornagainproject.org
@@ -12,14 +12,91 @@
 //
 // ************************************************************************** //
 
-#include "Core/HardParticle/ProfileRipple2.h"
-#include "Core/Basics/Exceptions.h"
-#include "Core/Basics/MathConstants.h"
+#include "Core/HardParticle/IProfileRipple.h"
 #include "Core/HardParticle/Ripples.h"
 #include "Core/Parametrization/RealParameter.h"
-#include "Core/Shapes/RippleSawtooth.h" // from Shapes/
-#include "Core/Tools/MathFunctions.h"
-#include "Fit/Tools/RealLimits.h"
+#include "Core/Shapes/RippleCosine.h"
+#include "Core/Shapes/RippleSawtooth.h"
+
+// ************************************************************************** //
+// interface IProfileRipple
+// ************************************************************************** //
+
+//! @brief Constructor of cosine ripple.
+//! @param length: length of the rectangular base in nanometers
+//! @param width: width of the rectangular base in nanometers
+//! @param height: height of the ripple in nanometers
+IProfileRipple::IProfileRipple(double length, double width, double height)
+    : m_length(length), m_width(width), m_height(height)
+{
+    registerParameter("Length", &m_length).setUnit("nm").setNonnegative();
+    registerParameter("Width", &m_width).setUnit("nm").setNonnegative();
+    registerParameter("Height", &m_height).setUnit("nm").setNonnegative();
+    onChange();
+}
+
+double IProfileRipple::radialExtension() const
+{
+    return (m_width + m_length) / 4.0;
+}
+
+complex_t IProfileRipple::evaluate_for_q(cvector_t q) const
+{
+    return factor_x(q.x()) * factor_yz(q.y(), q.z());
+}
+
+//! Complex form factor.
+complex_t IProfileRipple::factor_yz(complex_t qy, complex_t qz) const
+{
+    return ripples::profile_yz_cosine(qy, qz, m_width, m_height);
+}
+
+void IProfileRipple::onChange()
+{
+    mP_shape.reset(new RippleCosine(m_length, m_width, m_height));
+}
+
+// ************************************************************************** //
+// interface ProfileRipple1
+// ************************************************************************** //
+
+//! @brief Constructor of cosine ripple.
+//! @param length: length of the rectangular base in nanometers
+//! @param width: width of the rectangular base in nanometers
+//! @param height: height of the ripple in nanometers
+ProfileRipple1::ProfileRipple1(double length, double width, double height)
+    : m_length(length), m_width(width), m_height(height)
+{
+    registerParameter("Length", &m_length).setUnit("nm").setNonnegative();
+    registerParameter("Width", &m_width).setUnit("nm").setNonnegative();
+    registerParameter("Height", &m_height).setUnit("nm").setNonnegative();
+    onChange();
+}
+
+double ProfileRipple1::radialExtension() const
+{
+    return (m_width + m_length) / 4.0;
+}
+
+complex_t ProfileRipple1::evaluate_for_q(cvector_t q) const
+{
+    return factor_x(q.x()) * factor_yz(q.y(), q.z());
+}
+
+//! Complex form factor.
+complex_t ProfileRipple1::factor_yz(complex_t qy, complex_t qz) const
+{
+    return ripples::profile_yz_cosine(qy, qz, m_width, m_height);
+}
+
+void ProfileRipple1::onChange()
+{
+    mP_shape.reset(new RippleCosine(m_length, m_width, m_height));
+}
+
+// ************************************************************************** //
+// interface ProfileRipple2
+// ************************************************************************** //
 
 //! @brief Constructor of triangular ripple.
 //! @param length: length of the rectangular base in nanometers
@@ -40,6 +117,11 @@ double ProfileRipple2::radialExtension() const
     return (m_width + m_length) / 4.0;
 }
 
+complex_t ProfileRipple2::evaluate_for_q(cvector_t q) const
+{
+    return factor_x(q.x()) * factor_yz(q.y(), q.z());
+}
+
 //! Complex form factor.
 complex_t ProfileRipple2::factor_yz(complex_t qy, complex_t qz) const
 {

Core/HardParticle/ProfileRipple2.h → Core/HardParticle/IProfileRipple.h

@@ -2,8 +2,8 @@
 //
 //  BornAgain: simulate and fit scattering at grazing incidence
 //
-//! @file      Core/HardParticle/ProfileRipple2.h
-//! @brief     Defines class ProfileRipple2.
+//! @file      Core/HardParticle/IProfileRipple.h
+//! @brief     Defines interface classes IProfileRipple, ProfileRipple1, ProfileRipple2.
 //!
 //! @homepage  http://www.bornagainproject.org
 //! @license   GNU General Public License v3 or higher (see COPYING)
@@ -16,7 +16,60 @@
 #define BORNAGAIN_CORE_HARDPARTICLE_PROFILERIPPLE2_H
 
 #include "Core/Scattering/IFormFactorBorn.h"
-#include "Core/Tools/Integrator.h"
+
+//! Base class for form factors with a cosine ripple profile in the yz plane.
+
+class BA_CORE_API_ IProfileRipple : public IFormFactorBorn
+{
+public:
+    IProfileRipple(double length, double width, double height);
+
+    double getLength() const { return m_length; }
+    double getHeight() const { return m_height; }
+    double getWidth() const { return m_width; }
+
+    double radialExtension() const override final;
+
+    complex_t evaluate_for_q(cvector_t q) const override final;
+
+protected:
+    void onChange() override final;
+    virtual complex_t factor_x(complex_t qx) const = 0;
+
+    double m_length;
+    double m_width;
+    double m_height;
+
+private:
+    complex_t factor_yz(complex_t qy, complex_t qz) const;
+};
+
+//! Base class for form factors with a cosine ripple profile in the yz plane.
+
+class BA_CORE_API_ ProfileRipple1 : public IFormFactorBorn
+{
+public:
+    ProfileRipple1(double length, double width, double height);
+
+    double getLength() const { return m_length; }
+    double getHeight() const { return m_height; }
+    double getWidth() const { return m_width; }
+
+    double radialExtension() const override final;
+
+    complex_t evaluate_for_q(cvector_t q) const override final;
+
+protected:
+    void onChange() override final;
+    virtual complex_t factor_x(complex_t qx) const = 0;
+
+    double m_length;
+    double m_width;
+    double m_height;
+
+private:
+    complex_t factor_yz(complex_t qy, complex_t qz) const;
+};
 
 //! Base class for form factors with a triangular ripple profile in the yz plane.
 
@@ -32,10 +85,7 @@ public:
 
     double radialExtension() const override final;
 
-    complex_t evaluate_for_q(cvector_t q) const override final
-    {
-        return factor_x(q.x()) * factor_yz(q.y(), q.z());
-    }
+    complex_t evaluate_for_q(cvector_t q) const override final;
 
 protected:
     void onChange() override final;

Core/HardParticle/ProfileRipple1.cpp

-// ************************************************************************** //
-//
-//  BornAgain: simulate and fit scattering at grazing incidence
-//
-//! @file      Core/HardParticle/ProfileRipple1.cpp
-//! @brief     Implements class ProfileRipple1.
-//!
-//! @homepage  http://www.bornagainproject.org
-//! @license   GNU General Public License v3 or higher (see COPYING)
-//! @copyright Forschungszentrum Jülich GmbH 2018
-//! @authors   Scientific Computing Group at MLZ (see CITATION, AUTHORS)
-//
-// ************************************************************************** //
-
-#include "Core/HardParticle/ProfileRipple1.h"
-#include "Core/Basics/Exceptions.h"
-#include "Core/Parametrization/RealParameter.h"
-#include "Core/HardParticle/Ripples.h"
-#include "Core/Shapes/RippleCosine.h" // from Shapes/
-#include "Core/Tools/MathFunctions.h"
-#include "Fit/Tools/RealLimits.h"
-
-//! @brief Constructor of cosine ripple.
-//! @param length: length of the rectangular base in nanometers
-//! @param width: width of the rectangular base in nanometers
-//! @param height: height of the ripple in nanometers
-ProfileRipple1::ProfileRipple1(double length, double width, double height)
-    : m_length(length), m_width(width), m_height(height)
-{
-    registerParameter("Length", &m_length).setUnit("nm").setNonnegative();
-    registerParameter("Width", &m_width).setUnit("nm").setNonnegative();
-    registerParameter("Height", &m_height).setUnit("nm").setNonnegative();
-    onChange();
-}
-
-double ProfileRipple1::radialExtension() const
-{
-    return (m_width + m_length) / 4.0;
-}
-
-//! Complex form factor.
-complex_t ProfileRipple1::factor_yz(complex_t qy, complex_t qz) const
-{
-    return ripples::profile_yz_cosine(qy, qz, m_width, m_height);
-}
-
-void ProfileRipple1::onChange()
-{
-    mP_shape.reset(new RippleCosine(m_length, m_width, m_height));
-}

Core/HardParticle/ProfileRipple1.h

-// ************************************************************************** //
-//
-//  BornAgain: simulate and fit scattering at grazing incidence
-//
-//! @file      Core/HardParticle/ProfileRipple1.h
-//! @brief     Defines class ProfileRipple1.
-//!
-//! @homepage  http://www.bornagainproject.org
-//! @license   GNU General Public License v3 or higher (see COPYING)
-//! @copyright Forschungszentrum Jülich GmbH 2018
-//! @authors   Scientific Computing Group at MLZ (see CITATION, AUTHORS)
-//
-// ************************************************************************** //
-
-#ifndef BORNAGAIN_CORE_HARDPARTICLE_PROFILERIPPLE1_H
-#define BORNAGAIN_CORE_HARDPARTICLE_PROFILERIPPLE1_H
-
-#include "Core/Scattering/IFormFactorBorn.h"
-
-//! Base class for form factors with a cosine ripple profile in the yz plane.
-
-class BA_CORE_API_ ProfileRipple1 : public IFormFactorBorn
-{
-public:
-    ProfileRipple1(double length, double width, double height);
-
-    double getLength() const { return m_length; }
-    double getHeight() const { return m_height; }
-    double getWidth() const { return m_width; }
-
-    double radialExtension() const override final;
-
-    complex_t evaluate_for_q(cvector_t q) const override final
-    {
-        return factor_x(q.x()) * factor_yz(q.y(), q.z());
-    }
-
-protected:
-    void onChange() override final;
-    virtual complex_t factor_x(complex_t qx) const = 0;
-
-    double m_length;
-    double m_width;
-    double m_height;
-
-private:
-    complex_t factor_yz(complex_t qy, complex_t qz) const;
-};
-
-#endif // BORNAGAIN_CORE_HARDPARTICLE_PROFILERIPPLE1_H

Wrap/swig/libBornAgainCore.i

@@ -150,7 +150,6 @@
 #include "Core/HardParticle/FormFactorTruncatedCube.h"
 #include "Core/HardParticle/FormFactorTruncatedSphere.h"
 #include "Core/HardParticle/FormFactorTruncatedSpheroid.h"
-#include "Core/HardParticle/Ripples.h"
 #include "Core/InputOutput/IntensityDataIOFactory.h"
 #include "Core/Instrument/AngularSpecScan.h"
 #include "Core/Instrument/ChiSquaredModule.h"
@@ -406,8 +405,7 @@
 %include "Core/HardParticle/FormFactorPolyhedron.h"
 %include "Core/HardParticle/FormFactorPolyhedron.h"
 %include "Core/HardParticle/ProfileBar.h"
-%include "Core/HardParticle/ProfileRipple1.h"
-%include "Core/HardParticle/ProfileRipple2.h"
+%include "Core/HardParticle/IProfileRipple.h"
 
 %include "Core/HardParticle/FormFactorAnisoPyramid.h"
 %include "Core/HardParticle/FormFactorBox.h"
@@ -435,7 +433,6 @@
 %include "Core/HardParticle/FormFactorTruncatedCube.h"
 %include "Core/HardParticle/FormFactorTruncatedSphere.h"
 %include "Core/HardParticle/FormFactorTruncatedSpheroid.h"
-%include "Core/HardParticle/Ripples.h"
 
 %include "Core/SoftParticle/FormFactorGauss.h"
 %include "Core/SoftParticle/FormFactorSphereGaussianRadius.h"

auto/Wrap/libBornAgainCore.py

@@ -15134,6 +15134,51 @@ class ProfileBar(IFormFactorBorn):
 # Register ProfileBar in _libBornAgainCore:
 _libBornAgainCore.ProfileBar_swigregister(ProfileBar)
+class IProfileRipple(IFormFactorBorn):
+    r"""Proxy of C++ IProfileRipple class."""
+
+    thisown = property(lambda x: x.this.own(), lambda x, v: x.this.own(v), doc="The membership flag")
+
+    def __init__(self, *args, **kwargs):
+        raise AttributeError("No constructor defined - class is abstract")
+    __repr__ = _swig_repr
+
+    def getLength(self):
+        r"""getLength(IProfileRipple self) -> double"""
+        return _libBornAgainCore.IProfileRipple_getLength(self)
+
+    def getHeight(self):
+        r"""getHeight(IProfileRipple self) -> double"""
+        return _libBornAgainCore.IProfileRipple_getHeight(self)
+
+    def getWidth(self):
+        r"""getWidth(IProfileRipple self) -> double"""
+        return _libBornAgainCore.IProfileRipple_getWidth(self)
+
+    def radialExtension(self):
+        r"""
+        radialExtension(IProfileRipple self) -> double
+        virtual double IFormFactor::radialExtension() const =0
+
+        Returns the (approximate in some cases) radial size of the particle of this form factor's shape. This is used for SSCA calculations 
+
+        """
+        return _libBornAgainCore.IProfileRipple_radialExtension(self)
+
+    def evaluate_for_q(self, q):
+        r"""
+        evaluate_for_q(IProfileRipple self, cvector_t q) -> complex_t
+        virtual complex_t IFormFactorBorn::evaluate_for_q(cvector_t q) const =0
+
+        Returns scattering amplitude for complex scattering wavevector q=k_i-k_f. This method is public only for convenience of plotting form factors in Python. 
+
+        """
+        return _libBornAgainCore.IProfileRipple_evaluate_for_q(self, q)
+    __swig_destroy__ = _libBornAgainCore.delete_IProfileRipple
+
+# Register IProfileRipple in _libBornAgainCore:
+_libBornAgainCore.IProfileRipple_swigregister(IProfileRipple)
+
 class ProfileRipple1(IFormFactorBorn):
     r"""
@@ -17691,38 +17736,6 @@ class FormFactorTruncatedSpheroid(IFormFactorBorn):
 # Register FormFactorTruncatedSpheroid in _libBornAgainCore:
 _libBornAgainCore.FormFactorTruncatedSpheroid_swigregister(FormFactorTruncatedSpheroid)
-
-def factor_x_box(q, l):
-    r"""
-    factor_x_box(complex_t q, double l) -> complex_t
-    complex_t ripples::factor_x_box(complex_t q, double l)
-
-    """
-    return _libBornAgainCore.factor_x_box(q, l)
-
-def factor_x_Gauss(q, l):
-    r"""
-    factor_x_Gauss(complex_t q, double l) -> complex_t
-    complex_t ripples::factor_x_Gauss(complex_t q, double l)
-
-    """
-    return _libBornAgainCore.factor_x_Gauss(q, l)
-
-def factor_x_Lorentz(q, l):
-    r"""
-    factor_x_Lorentz(complex_t q, double l) -> complex_t
-    complex_t ripples::factor_x_Lorentz(complex_t q, double l)
-
-    """
-    return _libBornAgainCore.factor_x_Lorentz(q, l)
-
-def profile_yz_cosine(qy, qz, width, height):
-    r"""profile_yz_cosine(complex_t qy, complex_t qz, double width, double height) -> complex_t"""
-    return _libBornAgainCore.profile_yz_cosine(qy, qz, width, height)
-
-def profile_yz_triangular(qy, qz, width, height, asymmetry):
-    r"""profile_yz_triangular(complex_t qy, complex_t qz, double width, double height, double asymmetry) -> complex_t"""
-    return _libBornAgainCore.profile_yz_triangular(qy, qz, width, height, asymmetry)
 class FormFactorGaussSphere(IFormFactorBorn):
     r"""Proxy of C++ FormFactorGaussSphere class."""