From 81ed04f81e39fe8ad7f37db1d7627073b909dd08 Mon Sep 17 00:00:00 2001
From: "Joachim Wuttke (o)" <j.wuttke@fz-juelich.de>
Date: Mon, 16 Nov 2020 19:41:48 +0100
Subject: [PATCH] merge SSCAHelper into SSCA..Strategy
---
.../Computation/ParticleLayoutComputation.cpp | 4 +-
Sample/Interference/SSCAHelper.cpp | 54 --------------
Sample/Interference/SSCAHelper.h | 46 ------------
.../Interference/SSCApproximationStrategy.cpp | 49 ++++++++++--
.../Interference/SSCApproximationStrategy.h | 15 +++-
auto/Wrap/doxygenSample.i | 74 ++++++-------------
6 files changed, 78 insertions(+), 164 deletions(-)
delete mode 100644 Sample/Interference/SSCAHelper.cpp
delete mode 100644 Sample/Interference/SSCAHelper.h
diff --git a/Core/Computation/ParticleLayoutComputation.cpp b/Core/Computation/ParticleLayoutComputation.cpp
index b6d1e2dd917..e28e00f885f 100644
--- a/Core/Computation/ParticleLayoutComputation.cpp
+++ b/Core/Computation/ParticleLayoutComputation.cpp
@@ -43,8 +43,8 @@ processedInterferenceFunction(const ProcessedLayout& layout, const SimulationOpt
return std::make_unique<SSCApproximationStrategy>(weighted_formfactors, iff, sim_params,
polarized, kappa);
}
- return std::make_unique<DecouplingApproximationStrategy>(weighted_formfactors, iff,
- sim_params, polarized);
+ return std::make_unique<DecouplingApproximationStrategy>(weighted_formfactors, iff, sim_params,
+ polarized);
}
} // namespace
diff --git a/Sample/Interference/SSCAHelper.cpp b/Sample/Interference/SSCAHelper.cpp
deleted file mode 100644
index 38c772bdf3c..00000000000
--- a/Sample/Interference/SSCAHelper.cpp
+++ /dev/null
@@ -1,54 +0,0 @@
-// ************************************************************************** //
-//
-// BornAgain: simulate and fit scattering at grazing incidence
-//
-//! @file Sample/Interference/SSCAHelper.cpp
-//! @brief Implements class SSCAHelper.
-//!
-//! @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 "Sample/Interference/SSCAHelper.h"
-#include "Base/Types/Exceptions.h"
-#include "Sample/Aggregate/InterferenceFunctionRadialParaCrystal.h"
-#include "Sample/Fresnel/FormFactorCoherentSum.h"
-
-SSCAHelper::SSCAHelper(double kappa) : m_kappa(kappa), m_mean_radius{} {}
-
-void SSCAHelper::init(const std::vector<FormFactorCoherentSum>& ff_wrappers)
-{
- m_mean_radius = 0.0;
- for (auto& ffw : ff_wrappers)
- m_mean_radius += ffw.relativeAbundance() * ffw.radialExtension();
-}
-
-complex_t SSCAHelper::getCharacteristicSizeCoupling(
- double qp, const std::vector<FormFactorCoherentSum>& ff_wrappers) const
-{
- complex_t result{};
- for (auto& ffw : ff_wrappers) {
- double radial_extension = ffw.radialExtension();
- result +=
- ffw.relativeAbundance() * calculatePositionOffsetPhase(2.0 * qp, radial_extension);
- }
- return result;
-}
-
-complex_t SSCAHelper::getCharacteristicDistribution(double qp,
- const IInterferenceFunction* p_iff) const
-{
- const InterferenceFunctionRadialParaCrystal* p_iff_radial =
- dynamic_cast<const InterferenceFunctionRadialParaCrystal*>(p_iff);
- if (!p_iff_radial)
- throw Exceptions::ClassInitializationException("Wrong interference function for SSCA");
- return p_iff_radial->FTPDF(qp);
-}
-
-complex_t SSCAHelper::calculatePositionOffsetPhase(double qp, double radial_extension) const
-{
- return exp_I(m_kappa * qp * (radial_extension - m_mean_radius));
-}
diff --git a/Sample/Interference/SSCAHelper.h b/Sample/Interference/SSCAHelper.h
deleted file mode 100644
index 13ea4268361..00000000000
--- a/Sample/Interference/SSCAHelper.h
+++ /dev/null
@@ -1,46 +0,0 @@
-// ************************************************************************** //
-//
-// BornAgain: simulate and fit scattering at grazing incidence
-//
-//! @file Sample/Interference/SSCAHelper.h
-//! @brief Defines class SSCAHelper.
-//!
-//! @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_SAMPLE_INTERFERENCE_SSCAHELPER_H
-#define BORNAGAIN_SAMPLE_INTERFERENCE_SSCAHELPER_H
-
-#include "Sample/Interference/IInterferenceFunctionStrategy.h"
-#include <Eigen/StdVector>
-
-class FormFactorCoherentSum;
-class IInterferenceFunction;
-
-//! Helper class for SSCApproximationStrategy, offering some methods, shared between
-//! the scalar and polarized scattering calculations
-//! @ingroup algorithms_internal
-
-class SSCAHelper
-{
-public:
- SSCAHelper(double kappa);
-
- void init(const std::vector<FormFactorCoherentSum>& ff_wrappers);
-
- complex_t
- getCharacteristicSizeCoupling(double qp,
- const std::vector<FormFactorCoherentSum>& ff_wrappers) const;
- complex_t getCharacteristicDistribution(double qp, const IInterferenceFunction* p_iff) const;
- complex_t calculatePositionOffsetPhase(double qp, double radial_extension) const;
-
-private:
- double m_kappa;
- double m_mean_radius;
-};
-
-#endif // BORNAGAIN_SAMPLE_INTERFERENCE_SSCAHELPER_H
diff --git a/Sample/Interference/SSCApproximationStrategy.cpp b/Sample/Interference/SSCApproximationStrategy.cpp
index f569c165074..5afef486a52 100644
--- a/Sample/Interference/SSCApproximationStrategy.cpp
+++ b/Sample/Interference/SSCApproximationStrategy.cpp
@@ -14,16 +14,49 @@
#include "Sample/Interference/SSCApproximationStrategy.h"
#include "Base/Pixel/SimulationElement.h"
+#include "Base/Types/Exceptions.h"
#include "Sample/Aggregate/IInterferenceFunction.h"
+#include "Sample/Aggregate/InterferenceFunctionRadialParaCrystal.h"
#include "Sample/Fresnel/FormFactorCoherentSum.h"
+complex_t SSCApproximationStrategy::getCharacteristicSizeCoupling(
+ double qp, const std::vector<FormFactorCoherentSum>& ff_wrappers) const
+{
+ complex_t result{};
+ for (auto& ffw : ff_wrappers) {
+ double radial_extension = ffw.radialExtension();
+ result +=
+ ffw.relativeAbundance() * calculatePositionOffsetPhase(2.0 * qp, radial_extension);
+ }
+ return result;
+}
+
+complex_t
+SSCApproximationStrategy::getCharacteristicDistribution(double qp,
+ const IInterferenceFunction* p_iff) const
+{
+ const InterferenceFunctionRadialParaCrystal* p_iff_radial =
+ dynamic_cast<const InterferenceFunctionRadialParaCrystal*>(p_iff);
+ if (!p_iff_radial)
+ throw Exceptions::ClassInitializationException("Wrong interference function for SSCA");
+ return p_iff_radial->FTPDF(qp);
+}
+
+complex_t SSCApproximationStrategy::calculatePositionOffsetPhase(double qp,
+ double radial_extension) const
+{
+ return exp_I(m_kappa * qp * (radial_extension - m_mean_radius));
+}
+
SSCApproximationStrategy::SSCApproximationStrategy(
const std::vector<FormFactorCoherentSum>& weighted_formfactors,
const IInterferenceFunction* p_iff, SimulationOptions sim_params, bool polarized, double kappa)
: IInterferenceFunctionStrategy(weighted_formfactors, p_iff, sim_params, polarized)
- , m_helper(kappa)
+ , m_kappa(kappa)
{
- m_helper.init(m_formfactor_wrappers);
+ m_mean_radius = 0.0;
+ for (auto& ffw : m_formfactor_wrappers)
+ m_mean_radius += ffw.relativeAbundance() * ffw.radialExtension();
}
//! Returns the total scattering intensity for given kf and
@@ -40,13 +73,13 @@ double SSCApproximationStrategy::scalarCalculation(const SimulationElement& sim_
diffuse_intensity += fraction * std::norm(ff);
double radial_extension = ffw.radialExtension();
complex_t prefac =
- ffw.relativeAbundance() * m_helper.calculatePositionOffsetPhase(qp, radial_extension);
+ ffw.relativeAbundance() * calculatePositionOffsetPhase(qp, radial_extension);
ff_orig += prefac * ff;
ff_conj += prefac * std::conj(ff);
}
complex_t mean_ff_norm = ff_orig * ff_conj;
- complex_t p2kappa = m_helper.getCharacteristicSizeCoupling(qp, m_formfactor_wrappers);
- complex_t omega = m_helper.getCharacteristicDistribution(qp, m_iff.get());
+ complex_t p2kappa = getCharacteristicSizeCoupling(qp, m_formfactor_wrappers);
+ complex_t omega = getCharacteristicDistribution(qp, m_iff.get());
double iff = 2.0 * (mean_ff_norm * omega / (1.0 - p2kappa * omega)).real();
double dw_factor = m_iff->DWfactor(sim_element.getMeanQ());
return diffuse_intensity + dw_factor * iff;
@@ -66,12 +99,12 @@ double SSCApproximationStrategy::polarizedCalculation(const SimulationElement& s
diffuse_matrix += fraction * (ff * polarization_handler.getPolarization() * ff.adjoint());
double radial_extension = ffw.radialExtension();
complex_t prefac =
- ffw.relativeAbundance() * m_helper.calculatePositionOffsetPhase(qp, radial_extension);
+ ffw.relativeAbundance() * calculatePositionOffsetPhase(qp, radial_extension);
ff_orig += prefac * ff;
ff_conj += prefac * ff.adjoint();
}
- complex_t p2kappa = m_helper.getCharacteristicSizeCoupling(qp, m_formfactor_wrappers);
- complex_t omega = m_helper.getCharacteristicDistribution(qp, m_iff.get());
+ complex_t p2kappa = getCharacteristicSizeCoupling(qp, m_formfactor_wrappers);
+ complex_t omega = getCharacteristicDistribution(qp, m_iff.get());
Eigen::Matrix2cd interference_matrix = (2.0 * omega / (1.0 - p2kappa * omega))
* polarization_handler.getAnalyzerOperator() * ff_orig
* polarization_handler.getPolarization() * ff_conj;
diff --git a/Sample/Interference/SSCApproximationStrategy.h b/Sample/Interference/SSCApproximationStrategy.h
index 073a478ab49..0a0f02e85fb 100644
--- a/Sample/Interference/SSCApproximationStrategy.h
+++ b/Sample/Interference/SSCApproximationStrategy.h
@@ -15,7 +15,8 @@
#ifndef BORNAGAIN_SAMPLE_INTERFERENCE_SSCAPPROXIMATIONSTRATEGY_H
#define BORNAGAIN_SAMPLE_INTERFERENCE_SSCAPPROXIMATIONSTRATEGY_H
-#include "Sample/Interference/SSCAHelper.h"
+#include "Sample/Interference/IInterferenceFunctionStrategy.h"
+#include <Eigen/StdVector>
class SimulationElement;
@@ -33,7 +34,17 @@ public:
private:
double scalarCalculation(const SimulationElement& sim_element) const override;
double polarizedCalculation(const SimulationElement& sim_element) const override;
- SSCAHelper m_helper;
+
+ void init(const std::vector<FormFactorCoherentSum>& ff_wrappers);
+
+ complex_t
+ getCharacteristicSizeCoupling(double qp,
+ const std::vector<FormFactorCoherentSum>& ff_wrappers) const;
+ complex_t getCharacteristicDistribution(double qp, const IInterferenceFunction* p_iff) const;
+ complex_t calculatePositionOffsetPhase(double qp, double radial_extension) const;
+
+ double m_kappa;
+ double m_mean_radius;
};
#endif // BORNAGAIN_SAMPLE_INTERFERENCE_SSCAPPROXIMATIONSTRATEGY_H
diff --git a/auto/Wrap/doxygenSample.i b/auto/Wrap/doxygenSample.i
index 2569a92ae4b..f8efb90997f 100644
--- a/auto/Wrap/doxygenSample.i
+++ b/auto/Wrap/doxygenSample.i
@@ -7320,30 +7320,6 @@ C++ includes: TwoDimLatticeBuilder.h
";
-// File: classSSCAHelper.xml
-%feature("docstring") SSCAHelper "
-
-Helper class for SSCApproximationStrategy, offering some methods, shared between the scalar and polarized scattering calculations
-
-C++ includes: SSCAHelper.h
-";
-
-%feature("docstring") SSCAHelper::SSCAHelper "SSCAHelper::SSCAHelper(double kappa)
-";
-
-%feature("docstring") SSCAHelper::init "void SSCAHelper::init(const std::vector< FormFactorCoherentSum > &ff_wrappers)
-";
-
-%feature("docstring") SSCAHelper::getCharacteristicSizeCoupling "complex_t SSCAHelper::getCharacteristicSizeCoupling(double qp, const std::vector< FormFactorCoherentSum > &ff_wrappers) const
-";
-
-%feature("docstring") SSCAHelper::getCharacteristicDistribution "complex_t SSCAHelper::getCharacteristicDistribution(double qp, const IInterferenceFunction *p_iff) const
-";
-
-%feature("docstring") SSCAHelper::calculatePositionOffsetPhase "complex_t SSCAHelper::calculatePositionOffsetPhase(double qp, double radial_extension) const
-";
-
-
// File: classSSCApproximationStrategy.xml
%feature("docstring") SSCApproximationStrategy "
@@ -7544,13 +7520,16 @@ C++ includes: ZLimits.h
// File: namespace_0d115.xml
-// File: namespace_0d141.xml
+// File: namespace_0d139.xml
+
+// File: namespace_0d143.xml
-// File: namespace_0d145.xml
+// File: namespace_0d147.xml
-// File: namespace_0d149.xml
+
+// File: namespace_0d157.xml
// File: namespace_0d159.xml
@@ -7562,40 +7541,40 @@ C++ includes: ZLimits.h
// File: namespace_0d161.xml
-// File: namespace_0d163.xml
+// File: namespace_0d171.xml
-// File: namespace_0d173.xml
+// File: namespace_0d192.xml
// File: namespace_0d194.xml
-// File: namespace_0d196.xml
+// File: namespace_0d2.xml
-// File: namespace_0d2.xml
+// File: namespace_0d204.xml
-// File: namespace_0d206.xml
+// File: namespace_0d220.xml
// File: namespace_0d222.xml
-// File: namespace_0d224.xml
+// File: namespace_0d229.xml
-// File: namespace_0d231.xml
+// File: namespace_0d247.xml
-// File: namespace_0d249.xml
+// File: namespace_0d25.xml
-// File: namespace_0d25.xml
+// File: namespace_0d255.xml
-// File: namespace_0d257.xml
+// File: namespace_0d265.xml
// File: namespace_0d267.xml
@@ -7610,7 +7589,7 @@ C++ includes: ZLimits.h
// File: namespace_0d273.xml
-// File: namespace_0d275.xml
+// File: namespace_0d277.xml
// File: namespace_0d279.xml
@@ -7619,25 +7598,22 @@ C++ includes: ZLimits.h
// File: namespace_0d281.xml
-// File: namespace_0d283.xml
+// File: namespace_0d293.xml
-// File: namespace_0d295.xml
+// File: namespace_0d299.xml
-// File: namespace_0d301.xml
-
-
-// File: namespace_0d305.xml
+// File: namespace_0d303.xml
// File: namespace_0d31.xml
-// File: namespace_0d323.xml
+// File: namespace_0d321.xml
-// File: namespace_0d342.xml
+// File: namespace_0d340.xml
// File: namespace_0d37.xml
@@ -8212,12 +8188,6 @@ Used by the hard sphere and by several soft sphere classes.
// File: IInterferenceFunctionStrategy_8h.xml
-// File: SSCAHelper_8cpp.xml
-
-
-// File: SSCAHelper_8h.xml
-
-
// File: SSCApproximationStrategy_8cpp.xml
--
GitLab