diff --git a/Core/Aggregate/InterferenceFunction2DLattice.cpp b/Core/Aggregate/InterferenceFunction2DLattice.cpp
index 3cef206ad5e06a97ae53f8cc959874c3845f0c03..092ca7547d2d010eacf27b8f6d79a88e84bbf4a2 100644
--- a/Core/Aggregate/InterferenceFunction2DLattice.cpp
+++ b/Core/Aggregate/InterferenceFunction2DLattice.cpp
@@ -16,7 +16,6 @@
#include "BornAgainNamespace.h"
#include "Exceptions.h"
#include "IntegratorReal.h"
-#include "Macros.h"
#include "MathConstants.h"
#include "RealParameter.h"
#include <algorithm>
diff --git a/Core/Aggregate/InterferenceFunction2DSuperLattice.cpp b/Core/Aggregate/InterferenceFunction2DSuperLattice.cpp
index 08b8a6c24ebabc9fcf5972d743e95ee5769621ce..12a5cea5b0675434ddc48aaf32f8390c6962553b 100644
--- a/Core/Aggregate/InterferenceFunction2DSuperLattice.cpp
+++ b/Core/Aggregate/InterferenceFunction2DSuperLattice.cpp
@@ -17,7 +17,6 @@
#include "Exceptions.h"
#include "IntegratorReal.h"
#include "InterferenceFunctionNone.h"
-#include "Macros.h"
#include "MathConstants.h"
#include "MathFunctions.h"
#include "RealParameter.h"
diff --git a/Core/Aggregate/InterferenceFunctionFinite2DLattice.cpp b/Core/Aggregate/InterferenceFunctionFinite2DLattice.cpp
index 1ce2cadc1556d2f0a15ff0d5f6734972a481b932..c94d368b6055084f0db7a1486e261c7da39b4d3c 100644
--- a/Core/Aggregate/InterferenceFunctionFinite2DLattice.cpp
+++ b/Core/Aggregate/InterferenceFunctionFinite2DLattice.cpp
@@ -16,7 +16,6 @@
#include "BornAgainNamespace.h"
#include "Exceptions.h"
#include "IntegratorReal.h"
-#include "Macros.h"
#include "MathConstants.h"
#include "MathFunctions.h"
#include "RealParameter.h"
diff --git a/Core/Aggregate/InterferenceFunctionFinite3DLattice.cpp b/Core/Aggregate/InterferenceFunctionFinite3DLattice.cpp
index 6c046ecdb04eee6a316cec3fa126fc57cae7845d..a31cf7b60aaed720bd2ead8e779145cf21aa37f9 100644
--- a/Core/Aggregate/InterferenceFunctionFinite3DLattice.cpp
+++ b/Core/Aggregate/InterferenceFunctionFinite3DLattice.cpp
@@ -15,7 +15,6 @@
#include "InterferenceFunctionFinite3DLattice.h"
#include "BornAgainNamespace.h"
#include "Exceptions.h"
-#include "Macros.h"
#include "MathConstants.h"
#include "MathFunctions.h"
#include "RealParameter.h"
diff --git a/Core/Basics/Macros.h b/Core/Basics/Macros.h
deleted file mode 100644
index bf2d688260bb1923ecf6cb73194239ce378a604d..0000000000000000000000000000000000000000
--- a/Core/Basics/Macros.h
+++ /dev/null
@@ -1,58 +0,0 @@
-// ************************************************************************** //
-//
-// BornAgain: simulate and fit scattering at grazing incidence
-//
-//! @file Core/Basics/Macros.h
-//! @brief Workarounds concerning diagnostic warnings.
-//!
-//! @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 MACROS_H
-#define MACROS_H
-
-/*
-Macros below serve for temporary switching off specific warnings.
-It should be used to get rid from warnings coming from the third party library (like boost).
-
-Usage:
-GCC_DIAG_OFF(unused-parameter);
-GCC_DIAG_ON(unused-parameter);
-
-For the gcc 4.6 macros have same behavior as
-#pragma GCC diagnostic push
-#pragma GCC diagnostic ignored "-Wunused-parameter"
-#pragma GCC diagnostic pop
-
-Be aware, that macros has different behavior for gcc<4.2, 4.2<=gcc<4.6; gcc>=4.6
-See origin and explanations at
-http://dbp-consulting.com/tutorials/SuppressingGCCWarnings.html
-and then
-http://gcc.gnu.org/onlinedocs/gcc-4.4.7/gcc/Diagnostic-Pragmas.html
-*/
-
-#if ((__GNUC__ * 100) + __GNUC_MINOR__) >= 402
- #define GCC_DIAG_STR(s) #s
- #define GCC_DIAG_JOINSTR(x,y) GCC_DIAG_STR(x ## y)
- # define GCC_DIAG_DO_PRAGMA(x) _Pragma (#x)
- # define GCC_DIAG_PRAGMA(x) GCC_DIAG_DO_PRAGMA(GCC diagnostic x)
- # if ((__GNUC__ * 100) + __GNUC_MINOR__) >= 406
- # define GCC_DIAG_OFF(x) GCC_DIAG_PRAGMA(push) \
- GCC_DIAG_PRAGMA(ignored GCC_DIAG_JOINSTR(-W,x))
- # define GCC_DIAG_ON(x) GCC_DIAG_PRAGMA(pop)
- # else
- # define GCC_DIAG_OFF(x) GCC_DIAG_PRAGMA(ignored GCC_DIAG_JOINSTR(-W,x))
- # define GCC_DIAG_ON(x) GCC_DIAG_PRAGMA(warning GCC_DIAG_JOINSTR(-W,x))
- # endif
-#else
- # define GCC_DIAG_OFF(x)
- # define GCC_DIAG_ON(x)
-#endif
-
-#endif // MACROS_H
-
-
diff --git a/Core/CMakeLists.txt b/Core/CMakeLists.txt
index 69e21ca71bc50d2b77421822cfe0f72a276dda07..2dada2f76811dc8248db62ff41c1d04a851687fb 100644
--- a/Core/CMakeLists.txt
+++ b/Core/CMakeLists.txt
@@ -66,6 +66,14 @@ if(BORNAGAIN_PYTHON)
list(APPEND SWIG_FLAGS "-I${dir}")
endforeach(dir)
+ if ((CMAKE_CXX_COMPILER_ID STREQUAL "Clang")
+ OR (CMAKE_CXX_COMPILER_ID STREQUAL "GNU"))
+ # suppress warnings from auto-generated code (last updated for Swig 4.0.1)
+ set_source_files_properties(${AUTO_DIR}/libBornAgainCore_wrap.cpp
+ PROPERTIES COMPILE_OPTIONS
+ "-Wno-unused-parameter;-Wno-missing-field-initializers;-Wno-sometimes-uninitialized;-Wno-deprecated-declarations")
+ endif()
+
add_custom_command (
OUTPUT ${AUTO_DIR}/libBornAgainCore.py
COMMAND ${Python_EXECUTABLE} ${WRAP_DIR}/swig/tweaks.py
diff --git a/Core/HardParticle/FormFactorDot.cpp b/Core/HardParticle/FormFactorDot.cpp
index e3b29867788abf826717dcf644bfd7eac5fa6a77..81133a952468eaafac1abaa80c54a16552af2808 100644
--- a/Core/HardParticle/FormFactorDot.cpp
+++ b/Core/HardParticle/FormFactorDot.cpp
@@ -17,20 +17,17 @@
#include "Dot.h"
#include "RealParameter.h"
-FormFactorDot::FormFactorDot()
+//! Constructor.
+//! @param rscat: radius of a sphere with same forward scattering power, in nanometers
+FormFactorDot::FormFactorDot(double radius)
+ : m_radius(radius)
{
setName(BornAgain::FFDotType);
+ registerParameter(BornAgain::Radius, &m_radius).setUnit(BornAgain::UnitsNm).setNonnegative();
onChange();
}
-IFormFactor* FormFactorDot::sliceFormFactor(ZLimits, const IRotation&, kvector_t) const
+complex_t FormFactorDot::evaluate_for_q(cvector_t) const
{
- throw std::runtime_error(getName()
- + "::sliceFormFactor error: "
- "this shape should never be sliced!");
-}
-
-void FormFactorDot::onChange()
-{
- mP_shape.reset(new Dot());
+ return 4 * M_PI / 3 * pow(m_radius, 3);
}
diff --git a/Core/HardParticle/FormFactorDot.h b/Core/HardParticle/FormFactorDot.h
index e97eab2db4799b92e0b86c3ffa59714f306f0701..7facbcabd52259789182c01cac94ff0a5776d730 100644
--- a/Core/HardParticle/FormFactorDot.h
+++ b/Core/HardParticle/FormFactorDot.h
@@ -17,29 +17,35 @@
#include "IFormFactorBorn.h"
-//! A dot, with trivial formfactor F(q)=1.
+//! A dot, with scattering power as a sphere of radius rscat, but with F(q)=const.
//! @ingroup hardParticle
class BA_CORE_API_ FormFactorDot : public IFormFactorBorn
{
public:
- FormFactorDot();
-
- FormFactorDot* clone() const override final { return new FormFactorDot(); }
+ FormFactorDot(double radius);
+ FormFactorDot* clone() const override final
+ {
+ return new FormFactorDot(m_radius);
+ }
void accept(INodeVisitor* visitor) const override final { visitor->visit(this); }
+ double getRadius() const { return m_radius; }
+
double radialExtension() const override final { return 0; }
- complex_t evaluate_for_q(cvector_t) const override final { return 1; }
+ double bottomZ(const IRotation&) const override final { return 0; }
-protected:
- bool canSliceAnalytically(const IRotation&) const override final { return true; }
+ double topZ(const IRotation&) const override final { return 0; }
- IFormFactor* sliceFormFactor(ZLimits limits, const IRotation& rot,
- kvector_t translation) const override final;
+ complex_t evaluate_for_q(cvector_t q) const override final;
+
+protected:
+ bool canSliceAnalytically(const IRotation&) const override final { return false; }
- void onChange() override final;
+private:
+ double m_radius;
};
#endif // FORMFACTORDOT_H
diff --git a/Core/InputOutput/boost_streams.h b/Core/InputOutput/boost_streams.h
index 82f1dee527984ab8fb4274762d2682b89d3841a8..f0622c8f181f57482afc89f536e28daff41f7fd4 100644
--- a/Core/InputOutput/boost_streams.h
+++ b/Core/InputOutput/boost_streams.h
@@ -15,8 +15,6 @@
#ifndef BOOST_STREAMS_H
#define BOOST_STREAMS_H
-#include "Macros.h"
-GCC_DIAG_OFF(unused - parameter)
#include <boost/iostreams/copy.hpp>
#include <boost/iostreams/filtering_stream.hpp>
#ifdef _MSC_VER
@@ -28,6 +26,5 @@ GCC_DIAG_OFF(unused - parameter)
#ifdef _MSC_VER
#pragma warning(pop)
#endif
-GCC_DIAG_ON(unused - parameter)
#endif // BOOST_STREAMS_H
diff --git a/Core/Mask/Line.cpp b/Core/Mask/Line.cpp
index 1a586db3bd4929f1324dcb04fb11d075ab6c1bbf..f870d48fdcf0924f8cddba823620b8437635dee3 100644
--- a/Core/Mask/Line.cpp
+++ b/Core/Mask/Line.cpp
@@ -14,14 +14,12 @@
#include "Line.h"
#include "Bin.h"
-#include "Macros.h"
#include "Numeric.h"
+
#include <limits>
-GCC_DIAG_OFF(unused - parameter)
#include <boost/geometry.hpp>
#include <boost/geometry/geometries/linestring.hpp>
#include <boost/geometry/geometries/point_xy.hpp>
-GCC_DIAG_ON(unused - parameter)
using namespace boost::geometry;
typedef model::d2::point_xy<double> point_t;
diff --git a/Core/Mask/Polygon.cpp b/Core/Mask/Polygon.cpp
index 0b00bc9764de7cbdb6630a02ff60afc0023592ad..bb9eb2c5aed95079adcbeb6f07e1ffaaf2a0ffee 100644
--- a/Core/Mask/Polygon.cpp
+++ b/Core/Mask/Polygon.cpp
@@ -15,12 +15,10 @@
#include "Polygon.h"
#include "Bin.h"
#include "Exceptions.h"
-#include "Macros.h"
-GCC_DIAG_OFF(unused - parameter)
+
#include <boost/geometry.hpp>
#include <boost/geometry/geometries/point_xy.hpp>
#include <boost/geometry/geometries/polygon.hpp>
-GCC_DIAG_ON(unused - parameter)
using namespace boost::geometry;
diff --git a/Core/Multilayer/ISpecularStrategy.h b/Core/Multilayer/ISpecularStrategy.h
index 901df5c1d4aeec9103a8d947e3689d596715c26d..3bd1fe156b09ccb614b67decdd5a8b181327d9ce 100644
--- a/Core/Multilayer/ISpecularStrategy.h
+++ b/Core/Multilayer/ISpecularStrategy.h
@@ -21,6 +21,7 @@
class BA_CORE_API_ ISpecularStrategy
{
public:
+ virtual ~ISpecularStrategy() = default;
using single_coeff_t = std::unique_ptr<const ILayerRTCoefficients>;
using coeffs_t = std::vector<single_coeff_t>;
diff --git a/Core/Multilayer/SpecularMagneticOldStrategy.cpp b/Core/Multilayer/SpecularMagneticOldStrategy.cpp
index 96dd06a0864323143d7716fab13ba82a9d01e731..3f33b4cde67050618ecb0d740c86a48b97e78599 100644
--- a/Core/Multilayer/SpecularMagneticOldStrategy.cpp
+++ b/Core/Multilayer/SpecularMagneticOldStrategy.cpp
@@ -46,8 +46,8 @@ ISpecularStrategy::coeffs_t SpecularMagneticOldStrategy::Execute(const std::vect
}
ISpecularStrategy::coeffs_t
-SpecularMagneticOldStrategy::Execute(const std::vector<Slice>& slices,
- const std::vector<complex_t>& k) const
+SpecularMagneticOldStrategy::Execute(const std::vector<Slice>&,
+ const std::vector<complex_t>&) const
{
throw std::runtime_error("Not implemented");
}
diff --git a/Core/StandardSamples/SampleComponents.cpp b/Core/StandardSamples/SampleComponents.cpp
index 977bc64b076c571e5cabc0884aec1ab33208afd2..f967dde73868162275013ba5fa3c7d2e5d349283 100644
--- a/Core/StandardSamples/SampleComponents.cpp
+++ b/Core/StandardSamples/SampleComponents.cpp
@@ -49,7 +49,7 @@ FormFactorComponents::FormFactorComponents()
add(BornAgain::FFDodecahedronType, new FormFactorDodecahedron(5.0));
- add(BornAgain::FFDotType, new FormFactorDot());
+ add(BornAgain::FFDotType, new FormFactorDot(5.0));
add(BornAgain::FFEllipsoidalCylinderType, new FormFactorEllipsoidalCylinder(5.0, 10.0, 15.0));
diff --git a/Core/Tools/MathFunctions.cpp b/Core/Tools/MathFunctions.cpp
index fe378402abc28ea04e22f5a5e17266306bc99eae..8c25292c2b19b0946d92da6e188d1d84f027d291 100644
--- a/Core/Tools/MathFunctions.cpp
+++ b/Core/Tools/MathFunctions.cpp
@@ -163,8 +163,6 @@ complex_t MathFunctions::Bessel_J1c(const complex_t z)
complex_t MathFunctions::Bessel_J0_PowSer(const complex_t z)
{
complex_t cj0;
- static const complex_t cone(1.0, 0.0);
- static const complex_t czero(0.0, 0.0);
static const double eps = 1e-15;
static double a[] = {-7.03125e-2, 0.112152099609375, -0.5725014209747314,
6.074042001273483, -1.100171402692467e2, 3.038090510922384e3,
diff --git a/Core/Tools/PythonCore.h b/Core/Tools/PythonCore.h
index 1c8b3e45954fd1d772cebd3fcedfff125cdb29be..e9478103c1a7821a755d47efc0aa87920679fc58 100644
--- a/Core/Tools/PythonCore.h
+++ b/Core/Tools/PythonCore.h
@@ -22,14 +22,19 @@
#undef _POSIX_C_SOURCE
#undef _XOPEN_SOURCE
-#include <Python.h>
+#pragma GCC diagnostic push
+#pragma GCC diagnostic ignored "-Wmissing-field-initializers"
+#pragma GCC diagnostic ignored "-Wdeprecated-declarations"
+#include <Python.h>
#define PY_ARRAY_UNIQUE_SYMBOL BORNAGAIN_PYTHONAPI_ARRAY
#define NO_IMPORT_ARRAY
#include <numpy/arrayobject.h>
#include "swig_runtime.h"
+#pragma GCC diagnostic pop
+
#endif // BORNAGAIN_PYTHON
#endif // PYTHONCORE_H
diff --git a/Doc/FFCatalog/FFCatalog.pdf b/Doc/FFCatalog/FFCatalog.pdf
index 16c01e3ec905a116143da806655c4a877af9f0b3..caf9177b0aac4362ca76314f0731bbb1258b10ca 100644
Binary files a/Doc/FFCatalog/FFCatalog.pdf and b/Doc/FFCatalog/FFCatalog.pdf differ
diff --git a/Doc/FFCatalog/FormFactors.tex b/Doc/FFCatalog/FormFactors.tex
index 8ea141c926a739ae0f80168a727f9024e936b81c..7c2aa7d73c9f8f136f658c30005adf5e19753d78 100644
--- a/Doc/FFCatalog/FormFactors.tex
+++ b/Doc/FFCatalog/FormFactors.tex
@@ -17,6 +17,8 @@
\FloatBarrier\clearpage
\section{#1}}
+\def\ffref#1{\texttt{#1} (\cref{S#1})}
+
% Don't number subfigures in this chapter.
\makeatletter
\renewcommand{\@thesubfigure}{\relax}
@@ -101,7 +103,7 @@ that is described in full detail in a mathematical paper~\cite{Wut17}.
Almost all analytical expressions for $F(\q)$ contain
removable singularities for certain values of $\q$.
Our implementation uses proper analytic continuations at these singularities,
-\index{Singularitiy!in form factor computation}%
+\index{Singularity!in form factor computation}%
though this is not explicitly denoted in the following formula collection.
Furthermore, series expansions are used to ensure numeric accuracies
in the neighborhood of the singularities.
@@ -209,12 +211,14 @@ The following tables summarize the implemented particle geometries,
Afterwards, the detailed documentation is in alphabetical order.
%\clearpage\thispagestyle{empty}
-\def\entry#1#2#3#4#5#6{%
-\raisebox{-3.8ex}{\includefinal{5em}{fig/blue/#2.png}} &
+\def\figuredentry#1#2#3#4#5#6{%
+ #2 &
\texttt{#1}& %\newline\textsl{#1} &
#5 & % symmetry
#4 & % parameters
Page~\pageref{S#3}\\} % , \cref{S#3}
+\def\sizedentry#1#2#3#4#5{\figuredentry{#1}{\hspace{#5ex}\raisebox{#4ex}{\includefinal{#3em}{fig/blue/#2.png}}}}
+\def\entry#1#2{\sizedentry{#1}{#2}{5}{-3.8}{0}}
\begin{center}
\def\h{\text{h}}
\def\v{\text{v}}
@@ -226,7 +230,8 @@ Page~\pageref{S#3}\\} % , \cref{S#3}
@{}p{.19\textwidth}
@{}p{.15\textwidth}@{}}
% Shape&{Name\newline \textsl{Legacy Name}}&Symmetry&Parameters&Reference\\\hline
-Shape&Name&Symmetry&Parameters&Reference\\\hline
+Shape&Name&Symmetry&Parameters&Reference\\\hline\\[-2ex]
+\sizedentry{Dot}{Dot3d}{2}{-2}{2}{Dot}{$R_\text{scat}$}{R$_3$}{Dot}
\entry{FullSphere}{FullSphere3d}{FullSphere}{$R$}{R$_3$}{Sphere}
\entry{FullSpheroid}{FullSpheroid3d}{FullSpheroid}{$R$, $H$}{D$_{\infty\h}$}{Spheroid}
\entry{Cylinder}{Cylinder3d}{Cylinder}{$R$, $H$}{D$_{\infty\h}$}{Cylinder}
@@ -235,7 +240,7 @@ Shape&Name&Symmetry&Parameters&Reference\\\hline
\entry{Cone}{Cone3d}{Cone}{$R$, $H$, $\alpha$}{C$_{\infty\v}$}{ConicalFrustum}
\entry{Icosahedron}{Icosahedron3d}{Icosahedron}{$L$}{I$_\h$}{Icosahedron}
\entry{Dodecahedron}{Dodecahedron3d}{Dodecahedron}{$L$}{I$_\h$}{Dodecahedron}
-\entry{TruncatedCube}{TruncatedCube3d}{TruncatedCube}{$L$, $t$}{O$_\h$}{TruncatedCube}
+\entry{TruncatedCube}{TruncatedCube3d}{TruncatedCube}{$L$, $t$}{O$_\h$}{FacettedCube}
\entry{Prism6}{Prism63d}{Prism6}{$R$, $H$}{D$_{6\h}$}{Prism6}
\entry{Cone6}{Cone63d}{Cone6}{$R$, $H$, $\alpha$}{C$_{6\v}$}{Frustum6}
\entry{Pyramid}{Pyramid3d}{Pyramid}{$L$, $H$, $\alpha$}{C$_{4\v}$}{Frustum4}
@@ -327,6 +332,12 @@ which is a true pyramid with an off-center apex \cite{Bab13}.
Formfactors~$F(\q)$ have been checked against the different computation of \IsGISAXS,
and were found to fully agree.
+\paragraph{See also}
+\begin{itemize}
+\item \ffref{Box} if $\alpha=0$,
+\item \ffref{Pyramid} if $L=W$.
+\end{itemize}
+
%===============================================================================
\ffsection{Box (cuboid)} \label{SBox}
%===============================================================================
@@ -392,6 +403,13 @@ Agrees with \E{Box} form factor of \IsGISAXS\
\cite[Eq.~2.38]{Laz06} \cite[Eq.~214]{ReLL09},
except for factors $1/2$ in the definitions of parameters $L$, $W$, $H$.
+\paragraph{See also}
+\begin{itemize}
+\item \ffref{AnisoPyramid} or \ffref{Pyramid}
+ if sides are not vertical,
+\item \ffref{TruncatedCube} if $L=W=H$ and corners are facetted,
+\item \ffref{LongBox} if stretched in one horizontal direction
+\end{itemize}
%===============================================================================
\ffsection{Cone (circular)} \label{SCone}
@@ -465,6 +483,11 @@ except for a substitution $z\to\rho$ in our expression for~$F$.
Justification for complex~$q$ in the same way as for the \E{Cylinder} form factor
in \cref{SCylinder}.
+\paragraph{See also}
+\begin{itemize}
+\item \ffref{Cylinder} if $\alpha=0$.
+\end{itemize}
+
%===============================================================================
\ffsection{Cone6 (hexagonal)} \label{SCone6}
@@ -537,6 +560,12 @@ Since \BornAgain-1.6 higher speed and better accuracy are achieved
by using the generic polyhedron form factor \cite{Wut17},
with series expansions near singularities.
+\paragraph{See also}
+\begin{itemize}
+\item \ffref{Prism6} if $\alpha=0$.
+\end{itemize}
+
+
%===============================================================================
\ffsection{Cuboctahedron} \label{SCuboctahedron}
%===============================================================================
@@ -610,6 +639,12 @@ except for different parametrization $L=2R_{\rm{\Code{IsGISAXS}}}$.
Since \BornAgain-1.6 implemented
using the generic polyhedron form factor \cite{Wut17}.
+\paragraph{See also}
+\begin{itemize}
+\item \ffref{Box} if $\alpha=0$,
+\item \ffref{Pyramid} if $r_H\to\infty$.
+\end{itemize}
+
%===============================================================================
\ffsection{Cylinder} \label{SCylinder}
@@ -703,6 +738,12 @@ The integral over $\varphi$ vanishes except for $n=2k$. Hence
To compute the ensueing radial integral $\int \d r r J_0(rq_\parallel)$,
use $t J_0(t)= \d[t J_1(t)]/\d t$ \cite[Formula~9.1.30a]{AbSt64}.
+\paragraph{See also}
+\begin{itemize}
+\item \ffref{Cone} or \ffref{FullSpheroid} if radius varies with~$z$,
+\item \ffref{EllipsoidalCylinder} if cross secion is an ellipse.
+\end{itemize}
+
%===============================================================================
\ffsection{Dodecahedron} \label{SDodecahedron}
@@ -779,6 +820,56 @@ New in \BornAgain-1.6,
based on the generic form factor of the polyhedron~\cite{Wut17}.
+%===============================================================================
+\ffsection{Dot} \label{SDot}
+%===============================================================================
+\index{Dot}
+\index{FormFactorDot@\Code{FormFactorDot}}
+
+\paragraph{Real-space geometry}\strut\\
+
+A point with no spatial extension,
+hence with a constant form factor.
+This is unphysical,
+but can be used e.~g.\ to study structure factors without overlayed form factor oscillations.
+To get dimensions right, this form factor nonetheless takes an argument
+that specifies the radius of a \ffref{FullSphere} with same forward scattering power.
+
+\FloatBarrier
+
+\paragraph{Syntax and parameters}\strut\\[-2ex plus .2ex minus .2ex]
+\begin{lstlisting}
+ FormFactorDot(double radius)
+\end{lstlisting}
+with parameter
+\begin{itemize}
+\item \texttt{radius}, $R_\text{scat}$, radius of sphere with same~$F(0)$.
+\end{itemize}
+
+\paragraph{Form factor, volume, horizontal section}\strut\\
+\begin{equation*}
+ F = \frac{4\pi}{3} R_\text{scat}^3,
+\end{equation*}
+\begin{equation*}
+ V = 0,
+\end{equation*}
+\begin{equation*}
+ S= 0.
+\end{equation*}
+
+\paragraph{History}\strut\\
+
+Up to BornAgain 1.16, we simply had $F=1$.
+The parameter $R_\text{scat}$ was introduced in release 1.17 to get
+dimensions right and to ensure correct intensity scales.
+
+\paragraph{See also}
+\begin{itemize}
+\item \ffref{FullSphere},
+\item \ffref{GaussianCoil}.
+\end{itemize}
+
+
%===============================================================================
\ffsection{EllipsoidalCylinder} \label{SEllipsoidalCylinder}
%===============================================================================
@@ -843,6 +934,11 @@ Agrees with the \IsGISAXS\ form factor
\E{Ellipsoid} \cite[Eq.~2.41, wrongly labeled in Fig.~2.4]{Laz06}
or \E{Ellipsoidal Cylinder} \cite[Eq.~224]{ReLL09}.
+\paragraph{See also}
+\begin{itemize}
+\item \ffref{Cylinder} if $R_a=R_b$.
+\end{itemize}
+
%===============================================================================
\ffsection{FullSphere} \label{SFullSphere}
@@ -976,6 +1072,14 @@ Therefore \cref{ESphereU} coincides with the series expansion of
\end{equation}
which is what we wanted to prove.
+\paragraph{See also}
+\begin{itemize}
+\item \ffref{Dot} for $R\to0$ (but keeping $V$ finite),
+\item \ffref{Cylinder},
+\item \ffref{FullSpheroid},
+\item \ffref{TruncatedSphere}.
+\end{itemize}
+
%===============================================================================
\ffsection{FullSpheroid} \label{SFullSpheroid}
%===============================================================================
@@ -1029,11 +1133,11 @@ Results:
\begin{figure}[H]
\begin{center}
-\includefinal{.5\TW}{fig/ff2/ff_FullSpheroid.pdf}
+\includefinal{1\TW}{fig/ff2/ff_FullSpheroid.pdf}
\end{center}
\caption{Normalized intensity $|F|^2/V^2$,
-computed with $R=3.5$~nm and $H=9.8$~nm.}
-% changes very little under tilt !
+computed with $R=3.5$~nm and $H=9.8$~nm,
+for four different tilt angles~$\vartheta$ (rotation around the $y$ axis).}
\end{figure}
\paragraph{History and Derivation}\strut\\
@@ -1054,6 +1158,11 @@ the transformation matrix is just $M=\text{diag}(1/R, 1/R, 1/h)$.
The resulting simple expression for the form factor
goes back at least to Guinier \cite[p.~193]{Gui39}.
+\paragraph{See also}
+\begin{itemize}
+\item \ffref{FullSphere} if $H=2R$,
+\item \ffref{TruncatedSpheroid} if cut horizontally.
+\end{itemize}
%===============================================================================
\ffsection{HemiEllipsoid} \label{SHemiEllipsoid}
@@ -1123,6 +1232,12 @@ Agrees with the \IsGISAXS\ form factor
\cite[Eq.~2.42, with wrong sign in the $z$-dependent phase factor]{Laz06}
or \E{Hemi-spheroid} \cite[Eq.~229]{ReLL09}.
+\paragraph{See also}
+\begin{itemize}
+\item \ffref{TruncatedSpheroid} if $R_a=R_b$,
+\item \ffref{TruncatedSphere} if $R_a=R_b=H$.
+\end{itemize}
+
%===============================================================================
\ffsection{Icosahedron} \label{SIcosahedron}
@@ -1268,6 +1383,12 @@ Reimplemented in \BornAgain-1.6 using the generic form factor
of a polygonal prism \cite{Wut17},
to achieve numerical stability near the removable singularity at $q\to0$.
+\paragraph{See also}
+\begin{itemize}
+\item \ffref{Tetrahedron} (trigonal pyramid) if sides are not vertical.
+\end{itemize}
+
+
%===============================================================================
\ffsection{Prism6 (hexagonal)} \label{SPrism6}
%===============================================================================
@@ -1335,6 +1456,11 @@ Reimplemented in \BornAgain-1.5 using the generic form factor
of a polygonal prism with symmetry~$S_2$ \cite{Wut17},
to achieve numerical stability near the removable singularity at $q\to0$.
+\paragraph{See also}
+\begin{itemize}
+\item \ffref{Cone6} (frustum with hexagonal base) if sides are not vertical.
+\end{itemize}
+
%===============================================================================
\ffsection{Pyramid (square-based)}\label{SPyramid}
@@ -1406,6 +1532,12 @@ Reimplemented in \BornAgain-1.6 using the generic form factor
of a polygonal prism \cite{Wut17},
to achieve numerical stability near the removable singularity at $q\to0$.
+\paragraph{See also}
+\begin{itemize}
+\item \ffref{AnisoPyramid} if base is rectangular,
+\item \ffref{Box} if $\alpha=0$.
+\end{itemize}
+
%===============================================================================
\ffsection{Tetrahedron} \label{STetrahedron}
@@ -1420,6 +1552,7 @@ to achieve numerical stability near the removable singularity at $q\to0$.
\noindent
Incorrectly named so, since it actually has five, not four surfaces.
+It's a frustum with trigonal base.
\begin{figure}[H]
\hfill
@@ -1488,6 +1621,12 @@ Since \BornAgain-1.6 higher speed and accuracy are achieved
by using the generic polyhedron form factor \cite{Wut17},
with series expansions near singularities.
+\paragraph{See also}
+\begin{itemize}
+\item \ffref{Prism3} if $\alpha=0$.
+\end{itemize}
+
+
%===============================================================================
\ffsection{TruncatedCube} \label{STruncatedCube}
%===============================================================================
@@ -1553,6 +1692,11 @@ Motivated by \cite{HeSS74}.
Reimplemented in \BornAgain-1.6 using the generic form factor
of a polygonal prism \cite{Wut17}.
+\paragraph{See also}
+\begin{itemize}
+\item \ffref{Box} if $t=0$.
+\end{itemize}
+
%===============================================================================
\ffsection{TruncatedSphere}\label{STruncatedSphere}
@@ -1645,6 +1789,13 @@ Agrees with the \IsGISAXS\ form factor
Justification for complex~$q$ in the same way as for the \E{Cylinder} form factor
in \cref{SCylinder}.
+\paragraph{See also}
+\begin{itemize}
+\item \ffref{FullSphere} if $dh=0$ and $H=2R$,
+\item \ffref{TruncatedSpheroid} if vertically stretched or squeezed.
+\end{itemize}
+
+
%===============================================================================
\ffsection{TruncatedSpheroid} \label{STruncatedSpheroid}
@@ -1726,6 +1877,12 @@ Agrees with the \IsGISAXS\ form factor
Justification for complex~$q$ in the same way as for the \E{Cylinder} form factor
in \cref{SCylinder}.
+\paragraph{See also}
+\begin{itemize}
+\item \ffref{FullSpheroid} if $dh=0$ and $H=2f_p R$,
+\item \ffref{TruncatedSphere} if $f_p=1$.
+\end{itemize}
+
\index{Particle!hard|)}
@@ -1734,6 +1891,17 @@ in \cref{SCylinder}.
%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
\index{Ripple|(}
+Gratings can be modelled
+as one-dimensional arrangement of elongated particles.
+As everywhere else in BornAgain
+only single scattering in the DWBA is simulated.
+This can be insufficient for periodic gratings
+that cause noticeable higher-order diffraction.
+To account for such dynamic scattering effects,
+it may be advisable to compute Bloch waves \cite{AsSW10}
+or use finite elements to solve the exact wave equation \cite{SoFP17}.
+For the foreseeable future, this is not in the scope of BornAgain.
+
%===============================================================================
\ffsection{Ripple1 (sinusoidal)} \label{SRipple1}
%===============================================================================
@@ -1764,7 +1932,6 @@ with the parameters
\item \texttt{width}, $W$,
\item \texttt{height}, $H$.
\end{itemize}
-
The ripple is modelled as a surface
\begin{equation*}
Z(y) = \frac{H}{2}\left[ 1 + \cos\frac{2\pi y}{W} \right].
@@ -1880,3 +2047,80 @@ The low symmetry requires other angular ranges than used in most other figures.}
Agrees with the \E{Ripple2} form factor of \FitGISAXS\ \cite{Bab13}.
\index{Ripple|)}
+
+%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
+\chapter{Soft particles}\label{SSoft}
+%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
+\index{Particle!soft|(}
+
+A soft particle is characterized by a relative density~$\rho(\r)$
+\index{r@$\rho$ (density)}%
+\index{Density}%
+that varies smoothly from $\rho(0)=1$ to $\rho(\infty)=0$.
+The actual scattering length density~$\rho_\text{s}(\r)$
+\index{Scattering length density}%
+is the product of a constant bulk value~$\rho_\text{s}$ with~$\rho(\r)$.
+
+The form factor of a soft particle is defined as the Fourier transform of~$\rho(\r)$,
+\index{Fourier transform}%
+\begin{equation}
+ F(\q) = \int\!\d^3r\,\e^{i\q\r}\rho(\r).
+\end{equation}
+The forward scattering power of the soft particle is the same
+as that of a hard particle with volume
+\begin{equation}
+ V = F(0) = \int\!\d^3r\,\rho(\r).
+\end{equation}
+
+%===============================================================================
+\ffsection{Gaussian ellispoid} \label{SGauss}
+%===============================================================================
+\index{Ellipsoid!Gaussian}
+\index{Gaussian!soft particle}
+\index{FormFactorGauss@\Code{FormFactorGauss}}
+
+\paragraph{Syntax and parameters}\strut\\[-2ex plus .2ex minus .2ex]
+\begin{lstlisting}
+ FormFactorGauss(double width, double height)
+\end{lstlisting}
+with the parameters
+\begin{itemize}
+\item \texttt{width}, $W$,
+\item \texttt{height}, $H$.
+\end{itemize}
+
+\paragraph{Form factor, volume, horizontal section}\strut\\
+\begin{equation*}
+ F = \frac{L H}{q_y}
+ \sinc\left(\frac{q_xL}{2}\right)
+ i\e^{-i q_y d}
+ \left[
+ \e^{i \alpha_{-}/2} \sinc\left( \frac{\alpha_{+}}{2} \right)
+ - \e^{i \alpha_{+}/2} \sinc\left( \frac{\alpha_{-}}{2} \right)
+ \right],
+\end{equation*}
+\begin{equation*}
+ \alpha_{+} = H q_z + \frac{q_y W}{2} + q_y d, \quad
+ \alpha_{-} = H q_z - \frac{q_y W}{2} + q_y d,
+\end{equation*}
+\begin{equation*}
+ V = \dfrac{L W H}{2},
+\end{equation*}
+\begin{equation*}
+ S = L W.
+\end{equation*}
+
+\paragraph{Examples}\strut
+
+\begin{figure}[H]
+\begin{center}
+\includefinal{1\TW}{fig/ff2/ff_Ripple2.pdf}
+\end{center}
+\caption{Normalized intensity $|F|^2/V^2$,
+computed with $L=25$~nm, $W=10$~nm, $H=8$~nm, and $d=5$~nm,
+for four different angles~$\omega$ of rotation around the $z$ axis.
+The low symmetry requires other angular ranges than used in most other figures.}
+\end{figure}
+
+
+\index{Particle!soft|)}
diff --git a/Doc/FFCatalog/fig/blue/Dot3d.png b/Doc/FFCatalog/fig/blue/Dot3d.png
new file mode 100644
index 0000000000000000000000000000000000000000..423461cad81c4f67ca307d07651e28ed5931fa3c
Binary files /dev/null and b/Doc/FFCatalog/fig/blue/Dot3d.png differ
diff --git a/Doc/FFCatalog/fig/ff2/ff_Cylinder.pdf b/Doc/FFCatalog/fig/ff2/ff_Cylinder.pdf
index 6c13d764e75daf7c996211478d1133e3527e9fbd..3cc857a820bed928790e1ca7057eeeedcf611c74 100644
Binary files a/Doc/FFCatalog/fig/ff2/ff_Cylinder.pdf and b/Doc/FFCatalog/fig/ff2/ff_Cylinder.pdf differ
diff --git a/Doc/FFCatalog/fig/ff2/ff_FullSpheroid.pdf b/Doc/FFCatalog/fig/ff2/ff_FullSpheroid.pdf
index 819c686f35684e8babddcc829da88104a27e731e..77ae83a3625c85e5f95ebb963c3a5a60b6161101 100644
Binary files a/Doc/FFCatalog/fig/ff2/ff_FullSpheroid.pdf and b/Doc/FFCatalog/fig/ff2/ff_FullSpheroid.pdf differ
diff --git a/Doc/FFCatalog/fig/ff2/ff_FullSpheroid_tilt.pdf b/Doc/FFCatalog/fig/ff2/ff_FullSpheroid_tilt.pdf
deleted file mode 100644
index 9f3091bed77ab107654a47d6751be9a5c57fb5aa..0000000000000000000000000000000000000000
Binary files a/Doc/FFCatalog/fig/ff2/ff_FullSpheroid_tilt.pdf and /dev/null differ
diff --git a/Doc/FFCatalog/fig/ff2/sim_Cylinder.py b/Doc/FFCatalog/fig/ff2/sim_Cylinder.py
index 505b06d9bc31436a6f7ca7ad3ebb831303618daf..f122da5c01e8e4c3dd7744f2caa3baf9c383e435 100644
--- a/Doc/FFCatalog/fig/ff2/sim_Cylinder.py
+++ b/Doc/FFCatalog/fig/ff2/sim_Cylinder.py
@@ -5,15 +5,15 @@ import bornagain as ba
from bornagain import nanometer, degree
import bornplot as bp
-det = bp.Detector( 200, 0, 5, 0, 5 )
+det = bp.Detector( 200, -5, 5, -5, 5 )
n = 4
results = []
for i in range(n):
- theta=30*i/(n-1)
+ theta=135*i/(n-1)
title = r'$\vartheta=%d^\circ$' % theta
ff = ba.FormFactorCylinder(3*nanometer, 8.8*nanometer)
trafo = ba.RotationY(theta*degree)
data = bp.run_simulation(det,ff,trafo)
results.append( bp.Result(i, data, title) )
-
+
bp.make_plot( results, det, "ff_Cylinder" )
diff --git a/Doc/FFCatalog/fig/ff2/sim_FullSpheroid.py b/Doc/FFCatalog/fig/ff2/sim_FullSpheroid.py
index 4a4731f8410c29ab076299520e88748c703b14e3..e67f9e7c649248036e910099d3078293d28855b7 100644
--- a/Doc/FFCatalog/fig/ff2/sim_FullSpheroid.py
+++ b/Doc/FFCatalog/fig/ff2/sim_FullSpheroid.py
@@ -6,11 +6,14 @@ from bornagain import nanometer, degree
import bornplot as bp
det = bp.Detector( 200, 0, 5, 0, 5 )
-n = 1
+n = 4
results = []
for i in range(n):
- ff = ba.FormFactorFullSpheroid(3.5*nanometer, 9.8*nanometer)
- data = bp.run_simulation(det,ff)
- results.append( bp.Result(i, data) )
-
+ theta=90*i/(n-1)
+ title = r'$\vartheta=%d^\circ$' % theta
+ ff = ba.FormFactorFullSpheroid(3*nanometer, 13*nanometer)
+ trafo = ba.RotationY(theta*degree)
+ data = bp.run_simulation(det,ff,trafo)
+ results.append( bp.Result(i, data, title) )
+
bp.make_plot( results, det, "ff_FullSpheroid" )
diff --git a/Doc/FFCatalog/fig/ff2/sim_FullSpheroid_tilt.py b/Doc/FFCatalog/fig/ff2/sim_FullSpheroid_tilt.py
deleted file mode 100644
index 8ee15b71d6b2ee70b1b49074c531f153354a1f74..0000000000000000000000000000000000000000
--- a/Doc/FFCatalog/fig/ff2/sim_FullSpheroid_tilt.py
+++ /dev/null
@@ -1,19 +0,0 @@
-"""
-Plot form factor.
-"""
-import bornagain as ba
-from bornagain import nanometer, degree
-import bornplot as bp
-
-det = bp.Detector( 200, 0, 5, 0, 5 )
-n = 4
-results = []
-for i in range(n):
- theta=30*i/(n-1)
- title = r'$\vartheta=%d^\circ$' % theta
- ff = ba.FormFactorFullSpheroid(3*nanometer, 13*nanometer)
- trafo = ba.RotationY(theta*degree)
- data = bp.run_simulation(det,ff,trafo)
- results.append( bp.Result(i, data, title) )
-
-bp.make_plot( results, det, "ff_FullSpheroid_tilt" )
diff --git a/Fit/CMakeLists.txt b/Fit/CMakeLists.txt
index 571b3fb2f427f18671cc8cb030bc5bd6b39e501e..3bb0d492b5daad13f0fa1e37914b6222fed05f9b 100644
--- a/Fit/CMakeLists.txt
+++ b/Fit/CMakeLists.txt
@@ -54,6 +54,13 @@ if(BORNAGAIN_PYTHON)
list(APPEND SWIG_FLAGS "-I${dir}")
endforeach(dir)
+ if ((CMAKE_CXX_COMPILER_ID STREQUAL "Clang")
+ OR (CMAKE_CXX_COMPILER_ID STREQUAL "GNU"))
+ # suppress warnings from auto-generated code (last updated for Swig 4.0.1)
+ set_source_files_properties(${AUTO_DIR}/libBornAgainFit_wrap.cpp
+ PROPERTIES COMPILE_OPTIONS "-Wno-unused-parameter;-Wno-missing-field-initializers;-Wno-deprecated-declarations")
+ endif()
+
add_custom_command (
OUTPUT ${AUTO_DIR}/libBornAgainFit.py
COMMAND ${Python_EXECUTABLE} ${WRAP_DIR}/swig/tweaks.py
diff --git a/GUI/coregui/Models/FormFactorItems.cpp b/GUI/coregui/Models/FormFactorItems.cpp
index f031af030751bf023a36d9404677ea806245ef2e..eaa111bb2b3848f1026f295baa1e24a6eac5cc3e 100644
--- a/GUI/coregui/Models/FormFactorItems.cpp
+++ b/GUI/coregui/Models/FormFactorItems.cpp
@@ -175,14 +175,18 @@ std::unique_ptr<IFormFactor> DodecahedronItem::createFormFactor() const
/* ------------------------------------------------ */
+const QString DotItem::P_RADIUS = QString::fromStdString(BornAgain::Radius);
+
DotItem::DotItem() : FormFactorItem(Constants::DotType)
{
- setToolTip(QStringLiteral("A dot, with trivial formfactor F(q)=1"));
+ setToolTip(QStringLiteral("A dot, with constant formfactor F(q)=4pi/3 R^3"));
+ addProperty(P_RADIUS, 8.0)->setToolTip(QStringLiteral(
+ "Radius of reference sphere in nanometers"));
}
std::unique_ptr<IFormFactor> DotItem::createFormFactor() const
{
- return std::make_unique<FormFactorDot>();
+ return std::make_unique<FormFactorDot>(getItemValue(P_RADIUS).toDouble());
}
/* ------------------------------------------------ */
diff --git a/GUI/coregui/Models/FormFactorItems.h b/GUI/coregui/Models/FormFactorItems.h
index bf6e4b436cc6e695ed5afda7ae3e68ea009c772e..baa211c95c3214bada24d279685fb12f9ea32361 100644
--- a/GUI/coregui/Models/FormFactorItems.h
+++ b/GUI/coregui/Models/FormFactorItems.h
@@ -78,27 +78,28 @@ public:
std::unique_ptr<IFormFactor> createFormFactor() const;
};
-class BA_CORE_API_ DodecahedronItem : public FormFactorItem
+class BA_CORE_API_ CylinderItem : public FormFactorItem
{
public:
- static const QString P_EDGE;
- DodecahedronItem();
+ static const QString P_RADIUS;
+ static const QString P_HEIGHT;
+ CylinderItem();
std::unique_ptr<IFormFactor> createFormFactor() const;
};
-class BA_CORE_API_ DotItem : public FormFactorItem
+class BA_CORE_API_ DodecahedronItem : public FormFactorItem
{
public:
- DotItem();
+ static const QString P_EDGE;
+ DodecahedronItem();
std::unique_ptr<IFormFactor> createFormFactor() const;
};
-class BA_CORE_API_ CylinderItem : public FormFactorItem
+class BA_CORE_API_ DotItem : public FormFactorItem
{
public:
static const QString P_RADIUS;
- static const QString P_HEIGHT;
- CylinderItem();
+ DotItem();
std::unique_ptr<IFormFactor> createFormFactor() const;
};
diff --git a/GUI/coregui/Models/GUIDomainSampleVisitor.cpp b/GUI/coregui/Models/GUIDomainSampleVisitor.cpp
index a8f73eb053fe4f62e9435a27c84fc0d3afaa09da..8fca0fbb3efe8f11ba1b73bd6169e45da5dad596 100644
--- a/GUI/coregui/Models/GUIDomainSampleVisitor.cpp
+++ b/GUI/coregui/Models/GUIDomainSampleVisitor.cpp
@@ -251,10 +251,11 @@ void GUIDomainSampleVisitor::visit(const FormFactorDodecahedron* p_sample)
m_levelToParentItem[depth()] = p_particle_item;
}
-void GUIDomainSampleVisitor::visit(const FormFactorDot*)
+void GUIDomainSampleVisitor::visit(const FormFactorDot* p_sample)
{
SessionItem* p_particle_item = m_levelToParentItem[depth() - 1];
- AddFormFactorItem(p_particle_item, Constants::DotType);
+ SessionItem* p_ff_item = AddFormFactorItem(p_particle_item, Constants::DotType);
+ p_ff_item->setItemValue(FullSphereItem::P_RADIUS, p_sample->getRadius());
m_levelToParentItem[depth()] = p_particle_item;
}
diff --git a/GUI/coregui/Views/SampleDesigner/DesignerHelper.cpp b/GUI/coregui/Views/SampleDesigner/DesignerHelper.cpp
index 2d6ad8ba75af661665610ffa207f0e5f8f56dccc..43d21d4800944befcbfb05ce5967c3c0a36a6fe8 100644
--- a/GUI/coregui/Views/SampleDesigner/DesignerHelper.cpp
+++ b/GUI/coregui/Views/SampleDesigner/DesignerHelper.cpp
@@ -37,7 +37,7 @@ QGradient DesignerHelper::getLayerGradient(const QColor& color, const QRectF& re
result.setColorAt(0.5, c.light(200));
result.setColorAt(1, c.dark(150));
#endif
- return result;
+ return std::move(result);
}
QGradient DesignerHelper::getDecorationGradient(const QColor& color, const QRectF& rect)
@@ -49,7 +49,7 @@ QGradient DesignerHelper::getDecorationGradient(const QColor& color, const QRect
result.setColorAt(0, c);
result.setColorAt(0.5, c.lighter(150));
result.setColorAt(1, c);
- return result;
+ return std::move(result);
}
QPixmap DesignerHelper::getSceneBackground()
diff --git a/GUI/main/appoptions.h b/GUI/main/appoptions.h
index dc70d034ab8a10c806feb0077c7cc5b84ec63bd5..bd982a9028ced7a9954041a7cfa02a460ce308bd 100644
--- a/GUI/main/appoptions.h
+++ b/GUI/main/appoptions.h
@@ -15,12 +15,9 @@
#ifndef APPOPTIONS_H
#define APPOPTIONS_H
-#include "Macros.h"
-GCC_DIAG_OFF(unused - parameter);
#include <boost/program_options/options_description.hpp>
#include <boost/program_options/positional_options.hpp>
#include <boost/program_options/variables_map.hpp>
-GCC_DIAG_ON(unused - parameter);
#include <string>
diff --git a/Tests/Functional/GUI/GUIStandardTest/GUIStandardTest.cpp b/Tests/Functional/GUI/GUIStandardTest/GUIStandardTest.cpp
index ece70f35aecee693110dfccb97fd2554b1a4573e..4a080c995c75216e6443c1126e02c82b3b2f4591 100644
--- a/Tests/Functional/GUI/GUIStandardTest/GUIStandardTest.cpp
+++ b/Tests/Functional/GUI/GUIStandardTest/GUIStandardTest.cpp
@@ -28,19 +28,19 @@ namespace
std::unique_ptr<Simulation> createDomainSimulation(const Simulation& origin)
{
// initializing necessary GUI
- const std::unique_ptr<DocumentModel> documentModel(new DocumentModel);
- const std::unique_ptr<SampleModel> sampleModel(new SampleModel);
- const std::unique_ptr<InstrumentModel> instrumentModel(new InstrumentModel);
- const std::unique_ptr<MaterialModel> materialModel(new MaterialModel);
+ DocumentModel documentModel;
+ SampleModel sampleModel;
+ InstrumentModel instrumentModel;
+ MaterialModel materialModel;
// populating GUI models from domain
- GUIObjectBuilder::populateSampleModelFromSim(sampleModel.get(), materialModel.get(), origin);
- GUIObjectBuilder::populateInstrumentModel(instrumentModel.get(), origin);
- GUIObjectBuilder::populateDocumentModel(documentModel.get(), origin);
+ GUIObjectBuilder::populateSampleModelFromSim(&sampleModel, &materialModel, origin);
+ GUIObjectBuilder::populateInstrumentModel(&instrumentModel, origin);
+ GUIObjectBuilder::populateDocumentModel(&documentModel, origin);
- auto result = DomainSimulationBuilder::createSimulation(sampleModel->multiLayerItem(),
- instrumentModel->instrumentItem(),
- documentModel->simulationOptionsItem());
+ auto result = DomainSimulationBuilder::createSimulation(sampleModel.multiLayerItem(),
+ instrumentModel.instrumentItem(),
+ documentModel.simulationOptionsItem());
return result;
}
@@ -49,14 +49,11 @@ std::unique_ptr<Simulation> createDomainSimulation(const Simulation& origin)
bool GUIStandardTest::runTest()
{
m_reference_simulation->runSimulation();
- auto ref_result = m_reference_simulation->result();
+ const SimulationResult& ref_result = m_reference_simulation->result();
- auto domain_simulation = createDomainSimulation(*m_reference_simulation);
+ std::unique_ptr<Simulation> domain_simulation = createDomainSimulation(*m_reference_simulation);
domain_simulation->runSimulation();
- auto domain_result = domain_simulation->result();
+ const SimulationResult& domain_result = domain_simulation->result();
- const auto domain_data = domain_result.data();
- const auto reference_data = ref_result.data();
-
- return TestUtils::isTheSame(*domain_data, *reference_data, m_threshold);
+ return TestUtils::isTheSame(*domain_result.data(), *ref_result.data(), m_threshold);
}
diff --git a/Tests/Functional/TestMachinery/TestUtils.cpp b/Tests/Functional/TestMachinery/TestUtils.cpp
index 27b1b2644a9158df20dfe74690834e0578308d84..21a3dc3c3fd82c925e84d9b6c947063952b0d08d 100644
--- a/Tests/Functional/TestMachinery/TestUtils.cpp
+++ b/Tests/Functional/TestMachinery/TestUtils.cpp
@@ -40,12 +40,15 @@ bool TestUtils::isTheSame(const OutputData<double>& dat, const OutputData<double
{
double diff = IntensityDataFunctions::getRelativeDifference(dat, ref);
if (diff > threshold) {
- std::cerr << "Failed: Relative difference between dat and ref = " << diff
- << " is above given threshold = " << threshold << "\n";
+ std::cerr << " => FAILED: relative deviation of dat from ref is " << diff
+ << ", above given threshold " << threshold << "\n";
return false;
}
- std::cout << "Relative difference between dat and ref = " << diff
- << " is within given threshold = " << threshold << "\n";
+ if (diff)
+ std::cerr << " => OK: relative deviation of dat from ref is " << diff
+ << ", within given threshold " << threshold << "\n";
+ else
+ std::cout << " => OK: dat = ref\n";
return true;
}
diff --git a/Tests/ReferenceData/Core/FormFactorsWithAbsorption_Dot.int.gz b/Tests/ReferenceData/Core/FormFactorsWithAbsorption_Dot.int.gz
index 06424f81cbcff8e6497f7fb07704f3d8ad815942..e79f9e41759950b2b3b5112843cc8b1e81313dfe 100644
Binary files a/Tests/ReferenceData/Core/FormFactorsWithAbsorption_Dot.int.gz and b/Tests/ReferenceData/Core/FormFactorsWithAbsorption_Dot.int.gz differ
diff --git a/Tests/ReferenceData/Core/FormFactors_Dot.int.gz b/Tests/ReferenceData/Core/FormFactors_Dot.int.gz
index de1f4015199f52b7b45a8171a4c0dab144be5a25..a5cc62d23523af707c07015874af8817728aea84 100644
Binary files a/Tests/ReferenceData/Core/FormFactors_Dot.int.gz and b/Tests/ReferenceData/Core/FormFactors_Dot.int.gz differ
diff --git a/Tests/UnitTests/Core/Axes/KVectorTest.cpp b/Tests/UnitTests/Core/Axes/KVectorTest.cpp
index 29a69a4d3c3a9466033da0989847945e85bf80e4..b87240c751006a154db44c73854952e8748cfe80 100644
--- a/Tests/UnitTests/Core/Axes/KVectorTest.cpp
+++ b/Tests/UnitTests/Core/Axes/KVectorTest.cpp
@@ -77,7 +77,11 @@ TEST_F(KVectorTest, BasicArithmetics)
EXPECT_EQ(double(6.), a.z());
// -=
a = kvector_t(1., 2., 3.);
+#pragma clang diagnostic push
+#pragma clang diagnostic ignored "-Wself-assign-overloaded"
+// https://stackoverflow.com/a/57646029/1017348: a pretty stupid warning
a -= a;
+#pragma clang diagnostic pop
EXPECT_EQ(double(0.), a.x());
EXPECT_EQ(double(0.), a.y());
EXPECT_EQ(double(0.), a.z());
diff --git a/Tests/UnitTests/Core/Sample/FormFactorCoherentSumTest.cpp b/Tests/UnitTests/Core/Sample/FormFactorCoherentSumTest.cpp
index dd17247db0c6550a437b1ed5f712a1a037da8110..c24c7efffb55428a9fb04c7656c83ae6e40f9d9a 100644
--- a/Tests/UnitTests/Core/Sample/FormFactorCoherentSumTest.cpp
+++ b/Tests/UnitTests/Core/Sample/FormFactorCoherentSumTest.cpp
@@ -14,7 +14,7 @@ FormFactorCoherentSumTest::~FormFactorCoherentSumTest() = default;
TEST_F(FormFactorCoherentSumTest, RelAbundance)
{
const double epsilon = 1e-12;
- auto p_ff = new FormFactorDot();
+ auto p_ff = new FormFactorDot(5.0);
FormFactorCoherentSum ffw(1.0);
FormFactorCoherentPart part(p_ff);
ffw.addCoherentPart(part);
@@ -26,7 +26,7 @@ TEST_F(FormFactorCoherentSumTest, RelAbundance)
TEST_F(FormFactorCoherentSumTest, FormFactor)
{
- auto p_ff = new FormFactorDot();
+ auto p_ff = new FormFactorDot(5.0);
FormFactorCoherentSum ffw(1.0);
FormFactorCoherentPart part(p_ff);
ffw.addCoherentPart(part);
diff --git a/Tests/UnitTests/GUI/TestGUICoreObjectCorrespondence.cpp b/Tests/UnitTests/GUI/TestGUICoreObjectCorrespondence.cpp
index 46529ae0a07d8fa2d8453f5185434318b45656ea..deb467d276de7c41af0b5e94df7ca65453ff0a14 100644
--- a/Tests/UnitTests/GUI/TestGUICoreObjectCorrespondence.cpp
+++ b/Tests/UnitTests/GUI/TestGUICoreObjectCorrespondence.cpp
@@ -62,6 +62,13 @@ TEST_F(TestGUICoreObjectCorrespondence, test_Cuboctahedron)
GUICoreObjectCorrespondence(gui_cuboctahedron, core_cuboctahedron);
}
+TEST_F(TestGUICoreObjectCorrespondence, test_Cylinder)
+{
+ CylinderItem gui_cylinder;
+ FormFactorCylinder core_cylinder(1.0, 3.0);
+ GUICoreObjectCorrespondence(gui_cylinder, core_cylinder);
+}
+
TEST_F(TestGUICoreObjectCorrespondence, test_Dodecahedron)
{
DodecahedronItem gui_dodecahedron;
@@ -72,17 +79,10 @@ TEST_F(TestGUICoreObjectCorrespondence, test_Dodecahedron)
TEST_F(TestGUICoreObjectCorrespondence, test_Dot)
{
DotItem gui_dot;
- FormFactorDot core_dot;
+ FormFactorDot core_dot(5.0);
GUICoreObjectCorrespondence(gui_dot, core_dot);
}
-TEST_F(TestGUICoreObjectCorrespondence, test_Cylinder)
-{
- CylinderItem gui_cylinder;
- FormFactorCylinder core_cylinder(1.0, 3.0);
- GUICoreObjectCorrespondence(gui_cylinder, core_cylinder);
-}
-
TEST_F(TestGUICoreObjectCorrespondence, test_EllipsoidalCylinder)
{
EllipsoidalCylinderItem gui_ellcylinder;
diff --git a/Tests/UnitTests/Numeric/CMakeLists.txt b/Tests/UnitTests/Numeric/CMakeLists.txt
index f3fc2bb9fd801dcf94f0314f45ba362ba5564db1..d47fd29072b51a5f60fdaa10b95cd7bdcb557d7d 100644
--- a/Tests/UnitTests/Numeric/CMakeLists.txt
+++ b/Tests/UnitTests/Numeric/CMakeLists.txt
@@ -14,6 +14,9 @@ file(GLOB include_files "*.h")
add_executable(${test} ${source_files} ${include_files})
target_link_libraries(${test} ${BornAgainCore_LIBRARY} gtest)
+if (CMAKE_CXX_COMPILER_ID STREQUAL "GNU")
+ target_compile_options(${test} PUBLIC "-Wno-deprecated-copy")
+endif()
# Registering in ctest section
add_test(${test} ${CMAKE_RUNTIME_OUTPUT_DIRECTORY}/${test})
diff --git a/Wrap/swig/libBornAgainFit.i b/Wrap/swig/libBornAgainFit.i
index 5276b9706b54fd74a4cb2dc5afcc8e07c6731fad..c80aea09796ceb9a7e1129f2635b34808f6e5085 100644
--- a/Wrap/swig/libBornAgainFit.i
+++ b/Wrap/swig/libBornAgainFit.i
@@ -52,9 +52,6 @@
import_array();
%}
-#define GCC_DIAG_OFF(x)
-#define GCC_DIAG_ON(x)
-
#ifndef BORNAGAIN_PYTHON
#define BORNAGAIN_PYTHON
#endif
diff --git a/auto/Wrap/doxygen_core.i b/auto/Wrap/doxygen_core.i
index d6d4ff40cbd8b95e884ff833c2284e2134f26062..e5d31a31e5a1b41804824466be1dceea8c4a7341 100644
--- a/auto/Wrap/doxygen_core.i
+++ b/auto/Wrap/doxygen_core.i
@@ -1295,7 +1295,7 @@ C++ includes: CylindersAndPrismsBuilder.h
// File: classCylindersInBABuilder.xml
%feature("docstring") CylindersInBABuilder "
-Builds sample: cylinder formfactor in BA (IsGISAXS example #3, part II).
+Builds sample: cylinder form factor in BA (IsGISAXS example #3, part II).
C++ includes: CylindersBuilder.h
";
@@ -1310,7 +1310,7 @@ C++ includes: CylindersBuilder.h
// File: classCylindersInDWBABuilder.xml
%feature("docstring") CylindersInDWBABuilder "
-Builds sample: cylinder formfactor in DWBA (IsGISAXS example #3, part I).
+Builds sample: cylinder form factor in DWBA (IsGISAXS example #3, part I).
C++ includes: CylindersBuilder.h
";
@@ -1605,6 +1605,9 @@ C++ includes: DetectorContext.h
%feature("docstring") DetectorContext::DetectorContext "DetectorContext::DetectorContext(const IDetector2D *detector)
";
+%feature("docstring") DetectorContext::DetectorContext "DetectorContext::DetectorContext(const DetectorContext &other)=delete
+";
+
%feature("docstring") DetectorContext::numberOfSimulationElements "size_t DetectorContext::numberOfSimulationElements() const
";
@@ -3180,7 +3183,7 @@ Calculates and returns a polarized form factor calculation in DWBA.
// File: classFormFactorCrystal.xml
%feature("docstring") FormFactorCrystal "
-The formfactor of a MesoCrystal.
+The form factor of a MesoCrystal.
C++ includes: FormFactorCrystal.h
";
@@ -3340,7 +3343,7 @@ Returns scattering amplitude for complex scattering wavevector q=k_i-k_f. This m
// File: classFormFactorDebyeBueche.xml
%feature("docstring") FormFactorDebyeBueche "
-The formfactor of a Debye-Bueche (see doi:10.1038/pj.2010.110).
+The form factor of a Debye-Bueche (see doi:10.1038/pj.2010.110).
C++ includes: FormFactorDebyeBueche.h
";
@@ -3417,7 +3420,7 @@ Returns scattering amplitude for matrix interactions.
// File: classFormFactorDecoratorPositionFactor.xml
%feature("docstring") FormFactorDecoratorPositionFactor "
-Decorates a formfactor with a position dependent phase factor.
+Decorates a form factor with a position dependent phase factor.
C++ includes: FormFactorDecoratorPositionFactor.h
";
@@ -3459,7 +3462,7 @@ Returns scattering amplitude for matrix interactions.
// File: classFormFactorDecoratorRotation.xml
%feature("docstring") FormFactorDecoratorRotation "
-Equips a formfactor with a rotation.
+Equips a form factor with a rotation.
C++ includes: FormFactorDecoratorRotation.h
";
@@ -3544,12 +3547,20 @@ Calls the INodeVisitor's visit method.
// File: classFormFactorDot.xml
%feature("docstring") FormFactorDot "
-A dot, with trivial formfactor F(q)=1.
+A dot, with scattering power as a sphere of radius rscat, but with F(q)=const.
C++ includes: FormFactorDot.h
";
-%feature("docstring") FormFactorDot::FormFactorDot "FormFactorDot::FormFactorDot()
+%feature("docstring") FormFactorDot::FormFactorDot "FormFactorDot::FormFactorDot(double radius)
+
+Constructor.
+
+Parameters:
+-----------
+
+rscat:
+radius of a sphere with same forward scattering power, in nanometers
";
%feature("docstring") FormFactorDot::clone "FormFactorDot* FormFactorDot::clone() const override final
@@ -3562,12 +3573,25 @@ Returns a clone of this ISample object.
Calls the INodeVisitor's visit method.
";
+%feature("docstring") FormFactorDot::getRadius "double FormFactorDot::getRadius() const
+";
+
%feature("docstring") FormFactorDot::radialExtension "double FormFactorDot::radialExtension() const override final
Returns the (approximate in some cases) radial size of the particle of this form factor's shape. This is used for SSCA calculations
";
-%feature("docstring") FormFactorDot::evaluate_for_q "complex_t FormFactorDot::evaluate_for_q(cvector_t) const override final
+%feature("docstring") FormFactorDot::bottomZ "double FormFactorDot::bottomZ(const IRotation &) const override final
+
+Returns the z-coordinate of the lowest point in this shape after a given rotation.
+";
+
+%feature("docstring") FormFactorDot::topZ "double FormFactorDot::topZ(const IRotation &) const override final
+
+Returns the z-coordinate of the lowest point in this shape after a given rotation.
+";
+
+%feature("docstring") FormFactorDot::evaluate_for_q "complex_t FormFactorDot::evaluate_for_q(cvector_t q) const override final
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.
";
@@ -3858,7 +3882,7 @@ Returns scattering amplitude for complex scattering wavevector q=k_i-k_f. This m
// File: classFormFactorGauss.xml
%feature("docstring") FormFactorGauss "
-The formfactor of a gaussian.
+The form factor of a gaussian.
C++ includes: FormFactorGauss.h
";
@@ -3990,7 +4014,7 @@ Calls the INodeVisitor's visit method.
// File: classFormFactorLongBox.xml
%feature("docstring") FormFactorLongBox "
-The formfactor for a long rectangular box. Approximates the rapidly oscillating sinc function by the square root of a Lorentzian
+The form factor for a long rectangular box. Approximates the rapidly oscillating sinc function by the square root of a Lorentzian
C++ includes: FormFactorLongBox.h
";
@@ -4045,7 +4069,7 @@ Returns scattering amplitude for complex scattering wavevector q=k_i-k_f. This m
// File: classFormFactorLongBoxGauss.xml
%feature("docstring") FormFactorLongBoxGauss "
-The formfactor for a long rectangular box.
+The form factor for a long rectangular box.
C++ includes: FormFactorLongBoxGauss.h
";
@@ -4100,7 +4124,7 @@ Returns scattering amplitude for complex scattering wavevector q=k_i-k_f. This m
// File: classFormFactorLongBoxLorentz.xml
%feature("docstring") FormFactorLongBoxLorentz "
-The formfactor for a long rectangular box.
+The form factor for a long rectangular box.
C++ includes: FormFactorLongBoxLorentz.h
";
@@ -4155,7 +4179,7 @@ Returns scattering amplitude for complex scattering wavevector q=k_i-k_f. This m
// File: classFormFactorLongRipple1Gauss.xml
%feature("docstring") FormFactorLongRipple1Gauss "
-The formfactor for a cosine ripple.
+The form factor for a cosine ripple.
C++ includes: FormFactorLongRipple1Gauss.h
";
@@ -4203,14 +4227,14 @@ Returns the (approximate in some cases) radial size of the particle of this form
%feature("docstring") FormFactorLongRipple1Gauss::evaluate_for_q "complex_t FormFactorLongRipple1Gauss::evaluate_for_q(cvector_t q) const override final
-Complex formfactor.
+Complex form factor.
";
// File: classFormFactorLongRipple1Lorentz.xml
%feature("docstring") FormFactorLongRipple1Lorentz "
-The formfactor for a cosine ripple.
+The form factor for a cosine ripple.
C++ includes: FormFactorLongRipple1Lorentz.h
";
@@ -4258,14 +4282,14 @@ Returns the (approximate in some cases) radial size of the particle of this form
%feature("docstring") FormFactorLongRipple1Lorentz::evaluate_for_q "complex_t FormFactorLongRipple1Lorentz::evaluate_for_q(cvector_t q) const override final
-Complex formfactor.
+Complex form factor.
";
// File: classFormFactorLongRipple2Gauss.xml
%feature("docstring") FormFactorLongRipple2Gauss "
-The formfactor for a triangular ripple.
+The form factor for a triangular ripple.
C++ includes: FormFactorLongRipple2Gauss.h
";
@@ -4319,14 +4343,14 @@ Returns the (approximate in some cases) radial size of the particle of this form
%feature("docstring") FormFactorLongRipple2Gauss::evaluate_for_q "complex_t FormFactorLongRipple2Gauss::evaluate_for_q(cvector_t q) const override final
-Complex formfactor.
+Complex form factor.
";
// File: classFormFactorLongRipple2Lorentz.xml
%feature("docstring") FormFactorLongRipple2Lorentz "
-The formfactor for a triangular ripple.
+The form factor for a triangular ripple.
C++ includes: FormFactorLongRipple2Lorentz.h
";
@@ -4378,14 +4402,14 @@ Returns the (approximate in some cases) radial size of the particle of this form
%feature("docstring") FormFactorLongRipple2Lorentz::evaluate_for_q "complex_t FormFactorLongRipple2Lorentz::evaluate_for_q(cvector_t q) const override final
-Complex formfactor.
+Complex form factor.
";
// File: classFormFactorLorentz.xml
%feature("docstring") FormFactorLorentz "
-The formfactor of a lorentzian.
+The form factor of a lorentzian.
C++ includes: FormFactorLorentz.h
";
@@ -4426,7 +4450,7 @@ Returns scattering amplitude for complex scattering wavevector q=k_i-k_f. This m
// File: classFormFactorOrnsteinZernike.xml
%feature("docstring") FormFactorOrnsteinZernike "
-The formfactor of a Ornstein-Zernike (see doi:10.1038/pj.2010.110).
+The form factor of a Ornstein-Zernike (see doi:10.1038/pj.2010.110).
C++ includes: FormFactorOrnsteinZernike.h
";
@@ -4669,7 +4693,7 @@ Calls the INodeVisitor's visit method.
// File: classFormFactorRipple1.xml
%feature("docstring") FormFactorRipple1 "
-The formfactor for a cosine ripple.
+The form factor for a cosine ripple.
C++ includes: FormFactorRipple1.h
";
@@ -4717,14 +4741,14 @@ Returns the (approximate in some cases) radial size of the particle of this form
%feature("docstring") FormFactorRipple1::evaluate_for_q "complex_t FormFactorRipple1::evaluate_for_q(cvector_t q) const override final
-Complex formfactor.
+Complex form factor.
";
// File: classFormFactorRipple2.xml
%feature("docstring") FormFactorRipple2 "
-The formfactor for a triangular ripple.
+The form factor for a triangular ripple.
C++ includes: FormFactorRipple2.h
";
@@ -4778,7 +4802,7 @@ Returns the (approximate in some cases) radial size of the particle of this form
%feature("docstring") FormFactorRipple2::evaluate_for_q "complex_t FormFactorRipple2::evaluate_for_q(cvector_t q) const override final
-Complex formfactor.
+Complex form factor.
";
@@ -5038,7 +5062,7 @@ Returns the (approximate in some cases) radial size of the particle of this form
%feature("docstring") FormFactorTruncatedSphere::evaluate_for_q "complex_t FormFactorTruncatedSphere::evaluate_for_q(cvector_t q) const override final
-Complex formfactor.
+Complex form factor.
";
@@ -10104,6 +10128,9 @@ Print scan definition in python format.
// File: classISpecularStrategy.xml
%feature("docstring") ISpecularStrategy "";
+%feature("docstring") ISpecularStrategy::~ISpecularStrategy "virtual ISpecularStrategy::~ISpecularStrategy()=default
+";
+
%feature("docstring") ISpecularStrategy::Execute "virtual coeffs_t ISpecularStrategy::Execute(const std::vector< Slice > &slices, const kvector_t &k) const =0
";
@@ -11169,7 +11196,7 @@ Returns true if material has refractive index of (1.0, 0.0) and zero magnetizati
%feature("docstring") Material::scalarSubtrSLD "complex_t Material::scalarSubtrSLD(const WavevectorInfo &wavevectors) const
-Returns ( $ \\\\pi/\\\\lambda^2 $ - sld), sld (in $nm^{-2}$) being the scattering length density.
+Returns ( $ \\\\pi/\\\\lambda^2 $ - sld), sld (in $nm^{-2}$) being the scattering length density
";
%feature("docstring") Material::polarizedSubtrSLD "Eigen::Matrix2cd Material::polarizedSubtrSLD(const WavevectorInfo &wavevectors) const
@@ -11219,7 +11246,7 @@ Returns type of material implementation.
%feature("docstring") MaterialBySLDImpl::scalarSubtrSLD "complex_t MaterialBySLDImpl::scalarSubtrSLD(const WavevectorInfo &wavevectors) const override
-Returns ( $ \\\\pi/\\\\lambda^2 $ - sld), sld (in $nm^{-2}$) being the scattering length density.
+Returns ( $ \\\\pi/\\\\lambda^2 $ - sld), sld (in $nm^{-2}$) being the scattering length density
";
%feature("docstring") MaterialBySLDImpl::print "void MaterialBySLDImpl::print(std::ostream &ostr) const override
@@ -11545,6 +11572,21 @@ Returns a vector of children (const).
";
+// File: classMultiLayerWithNCRoughnessBuilder.xml
+%feature("docstring") MultiLayerWithNCRoughnessBuilder "
+
+Builds sample: layers with correlated roughness.
+
+C++ includes: MultiLayerWithNCRoughnessBuilder.h
+";
+
+%feature("docstring") MultiLayerWithNCRoughnessBuilder::MultiLayerWithNCRoughnessBuilder "MultiLayerWithNCRoughnessBuilder::MultiLayerWithNCRoughnessBuilder()
+";
+
+%feature("docstring") MultiLayerWithNCRoughnessBuilder::buildSample "MultiLayer * MultiLayerWithNCRoughnessBuilder::buildSample() const override
+";
+
+
// File: classMultiLayerWithRoughnessBuilder.xml
%feature("docstring") MultiLayerWithRoughnessBuilder "
@@ -13114,6 +13156,14 @@ Vector of y-coordinates of polygon points.
";
%feature("docstring") Polygon::Polygon "Polygon::Polygon(const std::vector< std::vector< double >> points)
+
+Polygon defined by two dimensional array with (x,y) coordinates of polygon points. The size of second dimension should be 2. If polygon is unclosed (the last point doesn't repeat the first one), it will be closed automatically.
+
+Parameters:
+-----------
+
+points:
+Two dimensional vector of (x,y) coordinates of polygon points.
";
%feature("docstring") Polygon::Polygon "Polygon::Polygon(const PolygonPrivate *d)
@@ -14333,7 +14383,7 @@ C++ includes: ResonatorBuilder.h
// File: classRotatedCylindersBuilder.xml
%feature("docstring") RotatedCylindersBuilder "
-Builds sample: cylinder formfactor in DWBA (IsGISAXS example #3, part I).
+Builds sample: cylinder form factor in DWBA (IsGISAXS example #3, part I).
C++ includes: CylindersBuilder.h
";
@@ -16512,11 +16562,6 @@ C++ includes: Transform3D.h
Constructs unit transformation.
";
-%feature("docstring") Transform3D::Transform3D "Transform3D::Transform3D(const Transform3D &other)
-
-Copy constructor.
-";
-
%feature("docstring") Transform3D::Transform3D "Transform3D::Transform3D(const Eigen::Matrix3d &matrix)
Constructor from matrix (no checks if this is an element of SO(3)!)
@@ -17136,172 +17181,172 @@ C++ includes: ZLimits.h
";
-// File: namespace_0d104.xml
+// File: namespace_0d103.xml
-// File: namespace_0d106.xml
+// File: namespace_0d105.xml
-// File: namespace_0d108.xml
+// File: namespace_0d107.xml
-// File: namespace_0d112.xml
+// File: namespace_0d111.xml
// File: namespace_0d12.xml
-// File: namespace_0d127.xml
+// File: namespace_0d126.xml
-// File: namespace_0d136.xml
+// File: namespace_0d135.xml
-// File: namespace_0d141.xml
+// File: namespace_0d140.xml
-// File: namespace_0d150.xml
+// File: namespace_0d149.xml
-// File: namespace_0d152.xml
+// File: namespace_0d151.xml
-// File: namespace_0d156.xml
+// File: namespace_0d155.xml
// File: namespace_0d18.xml
-// File: namespace_0d198.xml
+// File: namespace_0d197.xml
// File: namespace_0d20.xml
-// File: namespace_0d225.xml
+// File: namespace_0d224.xml
-// File: namespace_0d233.xml
+// File: namespace_0d232.xml
-// File: namespace_0d239.xml
+// File: namespace_0d238.xml
-// File: namespace_0d243.xml
+// File: namespace_0d242.xml
-// File: namespace_0d293.xml
+// File: namespace_0d292.xml
-// File: namespace_0d302.xml
+// File: namespace_0d301.xml
-// File: namespace_0d310.xml
+// File: namespace_0d309.xml
-// File: namespace_0d314.xml
+// File: namespace_0d313.xml
-// File: namespace_0d316.xml
+// File: namespace_0d315.xml
// File: namespace_0d32.xml
-// File: namespace_0d328.xml
+// File: namespace_0d327.xml
-// File: namespace_0d334.xml
+// File: namespace_0d333.xml
-// File: namespace_0d355.xml
+// File: namespace_0d354.xml
-// File: namespace_0d359.xml
+// File: namespace_0d358.xml
-// File: namespace_0d361.xml
+// File: namespace_0d360.xml
-// File: namespace_0d363.xml
+// File: namespace_0d362.xml
-// File: namespace_0d373.xml
+// File: namespace_0d372.xml
-// File: namespace_0d386.xml
+// File: namespace_0d385.xml
-// File: namespace_0d390.xml
+// File: namespace_0d389.xml
// File: namespace_0d40.xml
-// File: namespace_0d402.xml
+// File: namespace_0d401.xml
-// File: namespace_0d408.xml
+// File: namespace_0d407.xml
-// File: namespace_0d413.xml
+// File: namespace_0d412.xml
-// File: namespace_0d415.xml
+// File: namespace_0d414.xml
-// File: namespace_0d419.xml
+// File: namespace_0d418.xml
// File: namespace_0d42.xml
-// File: namespace_0d421.xml
+// File: namespace_0d420.xml
-// File: namespace_0d431.xml
+// File: namespace_0d430.xml
-// File: namespace_0d444.xml
+// File: namespace_0d443.xml
-// File: namespace_0d453.xml
+// File: namespace_0d452.xml
-// File: namespace_0d455.xml
+// File: namespace_0d454.xml
-// File: namespace_0d489.xml
+// File: namespace_0d488.xml
-// File: namespace_0d496.xml
+// File: namespace_0d495.xml
-// File: namespace_0d534.xml
+// File: namespace_0d533.xml
-// File: namespace_0d542.xml
+// File: namespace_0d541.xml
-// File: namespace_0d544.xml
+// File: namespace_0d543.xml
-// File: namespace_0d546.xml
+// File: namespace_0d545.xml
// File: namespace_0d6.xml
-// File: namespace_0d628.xml
+// File: namespace_0d629.xml
-// File: namespace_0d632.xml
+// File: namespace_0d633.xml
-// File: namespace_0d656.xml
+// File: namespace_0d657.xml
-// File: namespace_0d98.xml
+// File: namespace_0d97.xml
// File: namespaceArrayUtils.xml
@@ -17886,7 +17931,7 @@ Returns the safe relative difference, which is 2(|a-b|)/(|a|+|b|) except in spec
%feature("docstring") Numeric::GetLogDifference "double BA_CORE_API_ Numeric::GetLogDifference(double a, double b)
-Returns the difference of the logarithm; input values are truncated at the minimum positive value.
+Returns the difference of the logarithm; input values are truncated at the minimum positive value
";
@@ -18531,9 +18576,6 @@ Returns exp(I*z), where I is the imaginary unit.
// File: ISingleton_8h.xml
-// File: Macros_8h.xml
-
-
// File: MathConstants_8h.xml
@@ -20380,6 +20422,12 @@ Generate vertices of centered ellipse with given semi-axes at height z.
// File: MesoCrystalBuilder_8h.xml
+// File: MultiLayerWithNCRoughnessBuilder_8cpp.xml
+
+
+// File: MultiLayerWithNCRoughnessBuilder_8h.xml
+
+
// File: MultiLayerWithRoughnessBuilder_8cpp.xml
@@ -20663,86 +20711,83 @@ Calculates the z-coordinate of the highest vertex after rotation.
// File: deprecated.xml
-// File: dir_52a2c863b7b3435f7dcd40f26828d521.xml
-
-
-// File: dir_41e08c09ca0aab46c4ada92f12a8c00b.xml
+// File: dir_5f1a4a05eca575eab319839347bb4113.xml
-// File: dir_62267e76eb3874f0ae495e190c69ec26.xml
+// File: dir_f2db70b1039b2dc98a7a13a1758f382f.xml
-// File: dir_4544cbc948815333bef1258cf6b298b8.xml
+// File: dir_2afd61a498231c74441502b63b50f75c.xml
-// File: dir_d0c8f8fb9032c27878972645c4679f14.xml
+// File: dir_629bf8536959f2975d8caec326cd60c0.xml
-// File: dir_404b7d29693a4f046d60c2eccafd1df4.xml
+// File: dir_7de90f35ae2a2c7b4fa95823d333cc96.xml
-// File: dir_c83916cd1ff49c9e86c8a91c5655951d.xml
+// File: dir_c6310732a22f63c0c2fc5595561e68f1.xml
-// File: dir_59be1faf7048e95263c2fcba140abda1.xml
+// File: dir_e5c18127747cd9d7214e02067b529d74.xml
-// File: dir_e746abb3ff095e53619d5a61a48e781a.xml
+// File: dir_cca9b87b2505f372a6ce58947a507789.xml
-// File: dir_554fcc4911648c79d524724e80d45fa4.xml
+// File: dir_4470199ae7eb44153ffe31d163ed0f28.xml
-// File: dir_cc3c45a5d33be920aaf94cb9b9fbdb35.xml
+// File: dir_05b265732c0b4c8e8dad02f2f774744b.xml
-// File: dir_9a756f0b2738ef3b5663c172b32b6a4b.xml
+// File: dir_72a38c5b455c03a72881c3c65e21783d.xml
-// File: dir_e8bc32d0cf85ef86a42504cd31af1370.xml
+// File: dir_d7044b5fc4daccc5700de9f07da81a11.xml
-// File: dir_8b890ad49a09d8f36525f5af93e5737c.xml
+// File: dir_602d2305564088eb1fd2ee9e74929d48.xml
-// File: dir_9bdb7f774cce5b77ddd3ed60472b168c.xml
+// File: dir_7f8c371d7d9c2d18aea541845cde06e7.xml
-// File: dir_74beab5553c7ad06e27a6baadceea9c3.xml
+// File: dir_24998d15d4ee11ef081e71321705b47b.xml
-// File: dir_bcc7f66c041cef9b775368068412e104.xml
+// File: dir_0bf70e747e161ad6105733dd3b116e64.xml
-// File: dir_95667ae48b286f0957284f712e6e3af5.xml
+// File: dir_c21740227f50b02f28bdacfb625f042a.xml
-// File: dir_4251a3aefb390b6051267154c2f94d1e.xml
+// File: dir_d4e34ce36424db6c5895519defe19e58.xml
-// File: dir_529c0a19338d84aadf389c7b83eb56b1.xml
+// File: dir_3a34810b9fbc1682c26e767b1a1a5860.xml
-// File: dir_051c0ff7ebc48614253af3001519ace0.xml
+// File: dir_6babb1605c026604526d064f820d612b.xml
-// File: dir_36d1defb21dc876b1f67ee9031b0bd99.xml
+// File: dir_39b907ea01a3fff6bda4d39415594941.xml
-// File: dir_f59c6b3c978505a5ca3672a364c1918e.xml
+// File: dir_d7a24665a95cfc15308ebd7b07b5ebd6.xml
-// File: dir_a6771983dbfae0fa34418cceda77572a.xml
+// File: dir_98377dc177883022b630a05f6f34fc13.xml
-// File: dir_871fae137308712382f6192f4445a900.xml
+// File: dir_bf872a709c84554e66a8525bb546523f.xml
-// File: dir_44b1a8f39c14c02f6e3c2be419aa97b0.xml
+// File: dir_5d2259b43612a5a0ff7512df653d7370.xml
-// File: dir_1a0696269c107461a4ce8ff1a48cd2f2.xml
+// File: dir_e120110860f9b345e7b3217e8b15cbb8.xml
-// File: dir_7f288243cf9c204a176dfbf45ea9d349.xml
+// File: dir_19cd2158bba3b9a051f8f27403820580.xml
diff --git a/auto/Wrap/doxygen_fit.i b/auto/Wrap/doxygen_fit.i
index cd052202f5f733a2f6ed2ede9df49830fda9bafd..e25c3ccf26ff4093f825531e94ea79e6c24f7a89 100644
--- a/auto/Wrap/doxygen_fit.i
+++ b/auto/Wrap/doxygen_fit.i
@@ -1613,20 +1613,17 @@ Returns new string which is lower case of text.
// File: TimeInterval_8h.xml
-// File: dir_d0c8f8fb9032c27878972645c4679f14.xml
+// File: dir_892d84e8d1420bf45a9053cf0eede900.xml
-// File: dir_befad91b6aded329d87ab1464acca32e.xml
+// File: dir_ddbc8017d498762c6500a9e593e25277.xml
-// File: dir_f9473c719213b1ce2ec7fbf8aef1535c.xml
+// File: dir_7c95011753c2f8fb6f2a9c22c1fbdc50.xml
-// File: dir_f668eca225435178269b3663d40ba22e.xml
+// File: dir_5e88eb7454533834afc0f9fdcde3e277.xml
-// File: dir_50776eae6dbf3f787dd8fd4106a9bdd2.xml
-
-
-// File: dir_56a15659684b74af87eef25c488d32da.xml
+// File: dir_e87cef4d6f8e4c4c298cf0a4783d30f5.xml
diff --git a/auto/Wrap/libBornAgainCore.py b/auto/Wrap/libBornAgainCore.py
index 1e2a5abee9d7e700191c636bbfe5e32986944da8..012157b075be3ecbaa214bfc6c371fd5dac70945 100644
--- a/auto/Wrap/libBornAgainCore.py
+++ b/auto/Wrap/libBornAgainCore.py
@@ -9919,7 +9919,7 @@ class FormFactorCrystal(IFormFactor):
r"""
- The formfactor of a MesoCrystal.
+ The form factor of a MesoCrystal.
C++ includes: FormFactorCrystal.h
@@ -10210,7 +10210,7 @@ class FormFactorDebyeBueche(IFormFactorBorn):
r"""
- The formfactor of a Debye-Bueche (see doi:10.1038/pj.2010.110).
+ The form factor of a Debye-Bueche (see doi:10.1038/pj.2010.110).
C++ includes: FormFactorDebyeBueche.h
@@ -10344,7 +10344,7 @@ class FormFactorDot(IFormFactorBorn):
r"""
- A dot, with trivial formfactor F(q)=1.
+ A dot, with scattering power as a sphere of radius rscat, but with F(q)=const.
C++ includes: FormFactorDot.h
@@ -10353,13 +10353,21 @@ class FormFactorDot(IFormFactorBorn):
thisown = property(lambda x: x.this.own(), lambda x, v: x.this.own(v), doc="The membership flag")
__repr__ = _swig_repr
- def __init__(self):
+ def __init__(self, radius):
r"""
- __init__(FormFactorDot self) -> FormFactorDot
- FormFactorDot::FormFactorDot()
+ __init__(FormFactorDot self, double radius) -> FormFactorDot
+ FormFactorDot::FormFactorDot(double radius)
+
+ Constructor.
+
+ Parameters:
+ -----------
+
+ rscat:
+ radius of a sphere with same forward scattering power, in nanometers
"""
- _libBornAgainCore.FormFactorDot_swiginit(self, _libBornAgainCore.new_FormFactorDot())
+ _libBornAgainCore.FormFactorDot_swiginit(self, _libBornAgainCore.new_FormFactorDot(radius))
def clone(self):
r"""
@@ -10381,6 +10389,14 @@ class FormFactorDot(IFormFactorBorn):
"""
return _libBornAgainCore.FormFactorDot_accept(self, visitor)
+ def getRadius(self):
+ r"""
+ getRadius(FormFactorDot self) -> double
+ double FormFactorDot::getRadius() const
+
+ """
+ return _libBornAgainCore.FormFactorDot_getRadius(self)
+
def radialExtension(self):
r"""
radialExtension(FormFactorDot self) -> double
@@ -10391,15 +10407,35 @@ class FormFactorDot(IFormFactorBorn):
"""
return _libBornAgainCore.FormFactorDot_radialExtension(self)
- def evaluate_for_q(self, arg2):
+ def bottomZ(self, arg2):
+ r"""
+ bottomZ(FormFactorDot self, IRotation arg2) -> double
+ double FormFactorDot::bottomZ(const IRotation &) const override final
+
+ Returns the z-coordinate of the lowest point in this shape after a given rotation.
+
+ """
+ return _libBornAgainCore.FormFactorDot_bottomZ(self, arg2)
+
+ def topZ(self, arg2):
+ r"""
+ topZ(FormFactorDot self, IRotation arg2) -> double
+ double FormFactorDot::topZ(const IRotation &) const override final
+
+ Returns the z-coordinate of the lowest point in this shape after a given rotation.
+
+ """
+ return _libBornAgainCore.FormFactorDot_topZ(self, arg2)
+
+ def evaluate_for_q(self, q):
r"""
- evaluate_for_q(FormFactorDot self, cvector_t arg2) -> complex_t
- complex_t FormFactorDot::evaluate_for_q(cvector_t) const override final
+ evaluate_for_q(FormFactorDot self, cvector_t q) -> complex_t
+ complex_t FormFactorDot::evaluate_for_q(cvector_t q) const override final
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.FormFactorDot_evaluate_for_q(self, arg2)
+ return _libBornAgainCore.FormFactorDot_evaluate_for_q(self, q)
__swig_destroy__ = _libBornAgainCore.delete_FormFactorDot
# Register FormFactorDot in _libBornAgainCore:
@@ -10705,7 +10741,7 @@ class FormFactorGauss(IFormFactorBorn):
r"""
- The formfactor of a gaussian.
+ The form factor of a gaussian.
C++ includes: FormFactorGauss.h
@@ -10951,7 +10987,7 @@ class FormFactorLongBox(IFormFactorBorn):
r"""
- The formfactor for a long rectangular box. Approximates the rapidly oscillating sinc function by the square root of a Lorentzian
+ The form factor for a long rectangular box. Approximates the rapidly oscillating sinc function by the square root of a Lorentzian
C++ includes: FormFactorLongBox.h
@@ -11054,7 +11090,7 @@ class FormFactorLongBoxGauss(IFormFactorBorn):
r"""
- The formfactor for a long rectangular box.
+ The form factor for a long rectangular box.
C++ includes: FormFactorLongBoxGauss.h
@@ -11157,7 +11193,7 @@ class FormFactorLongBoxLorentz(IFormFactorBorn):
r"""
- The formfactor for a long rectangular box.
+ The form factor for a long rectangular box.
C++ includes: FormFactorLongBoxLorentz.h
@@ -11260,7 +11296,7 @@ class FormFactorLongRipple1Gauss(IFormFactorBorn):
r"""
- The formfactor for a cosine ripple.
+ The form factor for a cosine ripple.
C++ includes: FormFactorLongRipple1Gauss.h
@@ -11350,7 +11386,7 @@ class FormFactorLongRipple1Gauss(IFormFactorBorn):
evaluate_for_q(FormFactorLongRipple1Gauss self, cvector_t q) -> complex_t
complex_t FormFactorLongRipple1Gauss::evaluate_for_q(cvector_t q) const override final
- Complex formfactor.
+ Complex form factor.
"""
return _libBornAgainCore.FormFactorLongRipple1Gauss_evaluate_for_q(self, q)
@@ -11363,7 +11399,7 @@ class FormFactorLongRipple1Lorentz(IFormFactorBorn):
r"""
- The formfactor for a cosine ripple.
+ The form factor for a cosine ripple.
C++ includes: FormFactorLongRipple1Lorentz.h
@@ -11453,7 +11489,7 @@ class FormFactorLongRipple1Lorentz(IFormFactorBorn):
evaluate_for_q(FormFactorLongRipple1Lorentz self, cvector_t q) -> complex_t
complex_t FormFactorLongRipple1Lorentz::evaluate_for_q(cvector_t q) const override final
- Complex formfactor.
+ Complex form factor.
"""
return _libBornAgainCore.FormFactorLongRipple1Lorentz_evaluate_for_q(self, q)
@@ -11466,7 +11502,7 @@ class FormFactorLongRipple2Gauss(IFormFactorBorn):
r"""
- The formfactor for a triangular ripple.
+ The form factor for a triangular ripple.
C++ includes: FormFactorLongRipple2Gauss.h
@@ -11567,7 +11603,7 @@ class FormFactorLongRipple2Gauss(IFormFactorBorn):
evaluate_for_q(FormFactorLongRipple2Gauss self, cvector_t q) -> complex_t
complex_t FormFactorLongRipple2Gauss::evaluate_for_q(cvector_t q) const override final
- Complex formfactor.
+ Complex form factor.
"""
return _libBornAgainCore.FormFactorLongRipple2Gauss_evaluate_for_q(self, q)
@@ -11580,7 +11616,7 @@ class FormFactorLongRipple2Lorentz(IFormFactorBorn):
r"""
- The formfactor for a triangular ripple.
+ The form factor for a triangular ripple.
C++ includes: FormFactorLongRipple2Lorentz.h
@@ -11679,7 +11715,7 @@ class FormFactorLongRipple2Lorentz(IFormFactorBorn):
evaluate_for_q(FormFactorLongRipple2Lorentz self, cvector_t q) -> complex_t
complex_t FormFactorLongRipple2Lorentz::evaluate_for_q(cvector_t q) const override final
- Complex formfactor.
+ Complex form factor.
"""
return _libBornAgainCore.FormFactorLongRipple2Lorentz_evaluate_for_q(self, q)
@@ -11692,7 +11728,7 @@ class FormFactorLorentz(IFormFactorBorn):
r"""
- The formfactor of a lorentzian.
+ The form factor of a lorentzian.
C++ includes: FormFactorLorentz.h
@@ -11774,7 +11810,7 @@ class FormFactorOrnsteinZernike(IFormFactorBorn):
r"""
- The formfactor of a Ornstein-Zernike (see doi:10.1038/pj.2010.110).
+ The form factor of a Ornstein-Zernike (see doi:10.1038/pj.2010.110).
C++ includes: FormFactorOrnsteinZernike.h
@@ -12050,7 +12086,7 @@ class FormFactorRipple1(IFormFactorBorn):
r"""
- The formfactor for a cosine ripple.
+ The form factor for a cosine ripple.
C++ includes: FormFactorRipple1.h
@@ -12140,7 +12176,7 @@ class FormFactorRipple1(IFormFactorBorn):
evaluate_for_q(FormFactorRipple1 self, cvector_t q) -> complex_t
complex_t FormFactorRipple1::evaluate_for_q(cvector_t q) const override final
- Complex formfactor.
+ Complex form factor.
"""
return _libBornAgainCore.FormFactorRipple1_evaluate_for_q(self, q)
@@ -12153,7 +12189,7 @@ class FormFactorRipple2(IFormFactorBorn):
r"""
- The formfactor for a triangular ripple.
+ The form factor for a triangular ripple.
C++ includes: FormFactorRipple2.h
@@ -12254,7 +12290,7 @@ class FormFactorRipple2(IFormFactorBorn):
evaluate_for_q(FormFactorRipple2 self, cvector_t q) -> complex_t
complex_t FormFactorRipple2::evaluate_for_q(cvector_t q) const override final
- Complex formfactor.
+ Complex form factor.
"""
return _libBornAgainCore.FormFactorRipple2_evaluate_for_q(self, q)
@@ -12707,7 +12743,7 @@ class FormFactorTruncatedSphere(IFormFactorBorn):
evaluate_for_q(FormFactorTruncatedSphere self, cvector_t q) -> complex_t
complex_t FormFactorTruncatedSphere::evaluate_for_q(cvector_t q) const override final
- Complex formfactor.
+ Complex form factor.
"""
return _libBornAgainCore.FormFactorTruncatedSphere_evaluate_for_q(self, q)
@@ -19964,7 +20000,7 @@ class Material(object):
scalarSubtrSLD(Material self, WavevectorInfo wavevectors) -> complex_t
complex_t Material::scalarSubtrSLD(const WavevectorInfo &wavevectors) const
- Returns ( $ \\pi/\\lambda^2 $ - sld), sld (in $nm^{-2}$) being the scattering length density.
+ Returns ( $ \\pi/\\lambda^2 $ - sld), sld (in $nm^{-2}$) being the scattering length density
"""
return _libBornAgainCore.Material_scalarSubtrSLD(self, wavevectors)
diff --git a/auto/Wrap/libBornAgainCore_wrap.cpp b/auto/Wrap/libBornAgainCore_wrap.cpp
index 8c3c8fa5445f797e22b0ed65ed559029280c4809..4ba9621da2e93ab98d3d455f466ce86f75e190ba 100644
--- a/auto/Wrap/libBornAgainCore_wrap.cpp
+++ b/auto/Wrap/libBornAgainCore_wrap.cpp
@@ -5894,7 +5894,7 @@ SWIG_AsVal_std_complex_Sl_double_Sg_ (PyObject *o, std::complex<double>* val)
SWIGINTERNINLINE PyObject*
-SWIG_From_std_complex_Sl_double_Sg_ (/*@SWIG:/usr/local/share/swig/4.0.1/typemaps/swigmacros.swg,104,%ifcplusplus@*/
+SWIG_From_std_complex_Sl_double_Sg_ (/*@SWIG:/usr/share/swig4.0/typemaps/swigmacros.swg,104,%ifcplusplus@*/
const std::complex<double>&
@@ -70761,10 +70761,20 @@ SWIGINTERN PyObject *FormFactorDodecahedron_swiginit(PyObject *SWIGUNUSEDPARM(se
SWIGINTERN PyObject *_wrap_new_FormFactorDot(PyObject *SWIGUNUSEDPARM(self), PyObject *args) {
PyObject *resultobj = 0;
+ double arg1 ;
+ double val1 ;
+ int ecode1 = 0 ;
+ PyObject *swig_obj[1] ;
FormFactorDot *result = 0 ;
- if (!SWIG_Python_UnpackTuple(args, "new_FormFactorDot", 0, 0, 0)) SWIG_fail;
- result = (FormFactorDot *)new FormFactorDot();
+ if (!args) SWIG_fail;
+ swig_obj[0] = args;
+ ecode1 = SWIG_AsVal_double(swig_obj[0], &val1);
+ if (!SWIG_IsOK(ecode1)) {
+ SWIG_exception_fail(SWIG_ArgError(ecode1), "in method '" "new_FormFactorDot" "', argument " "1"" of type '" "double""'");
+ }
+ arg1 = static_cast< double >(val1);
+ result = (FormFactorDot *)new FormFactorDot(arg1);
resultobj = SWIG_NewPointerObj(SWIG_as_voidptr(result), SWIGTYPE_p_FormFactorDot, SWIG_POINTER_NEW | 0 );
return resultobj;
fail:
@@ -70824,6 +70834,29 @@ fail:
}
+SWIGINTERN PyObject *_wrap_FormFactorDot_getRadius(PyObject *SWIGUNUSEDPARM(self), PyObject *args) {
+ PyObject *resultobj = 0;
+ FormFactorDot *arg1 = (FormFactorDot *) 0 ;
+ void *argp1 = 0 ;
+ int res1 = 0 ;
+ PyObject *swig_obj[1] ;
+ double result;
+
+ if (!args) SWIG_fail;
+ swig_obj[0] = args;
+ res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_FormFactorDot, 0 | 0 );
+ if (!SWIG_IsOK(res1)) {
+ SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "FormFactorDot_getRadius" "', argument " "1"" of type '" "FormFactorDot const *""'");
+ }
+ arg1 = reinterpret_cast< FormFactorDot * >(argp1);
+ result = (double)((FormFactorDot const *)arg1)->getRadius();
+ resultobj = SWIG_From_double(static_cast< double >(result));
+ return resultobj;
+fail:
+ return NULL;
+}
+
+
SWIGINTERN PyObject *_wrap_FormFactorDot_radialExtension(PyObject *SWIGUNUSEDPARM(self), PyObject *args) {
PyObject *resultobj = 0;
FormFactorDot *arg1 = (FormFactorDot *) 0 ;
@@ -70847,6 +70880,72 @@ fail:
}
+SWIGINTERN PyObject *_wrap_FormFactorDot_bottomZ(PyObject *SWIGUNUSEDPARM(self), PyObject *args) {
+ PyObject *resultobj = 0;
+ FormFactorDot *arg1 = (FormFactorDot *) 0 ;
+ IRotation *arg2 = 0 ;
+ void *argp1 = 0 ;
+ int res1 = 0 ;
+ void *argp2 = 0 ;
+ int res2 = 0 ;
+ PyObject *swig_obj[2] ;
+ double result;
+
+ if (!SWIG_Python_UnpackTuple(args, "FormFactorDot_bottomZ", 2, 2, swig_obj)) SWIG_fail;
+ res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_FormFactorDot, 0 | 0 );
+ if (!SWIG_IsOK(res1)) {
+ SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "FormFactorDot_bottomZ" "', argument " "1"" of type '" "FormFactorDot const *""'");
+ }
+ arg1 = reinterpret_cast< FormFactorDot * >(argp1);
+ res2 = SWIG_ConvertPtr(swig_obj[1], &argp2, SWIGTYPE_p_IRotation, 0 | 0);
+ if (!SWIG_IsOK(res2)) {
+ SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "FormFactorDot_bottomZ" "', argument " "2"" of type '" "IRotation const &""'");
+ }
+ if (!argp2) {
+ SWIG_exception_fail(SWIG_ValueError, "invalid null reference " "in method '" "FormFactorDot_bottomZ" "', argument " "2"" of type '" "IRotation const &""'");
+ }
+ arg2 = reinterpret_cast< IRotation * >(argp2);
+ result = (double)((FormFactorDot const *)arg1)->bottomZ((IRotation const &)*arg2);
+ resultobj = SWIG_From_double(static_cast< double >(result));
+ return resultobj;
+fail:
+ return NULL;
+}
+
+
+SWIGINTERN PyObject *_wrap_FormFactorDot_topZ(PyObject *SWIGUNUSEDPARM(self), PyObject *args) {
+ PyObject *resultobj = 0;
+ FormFactorDot *arg1 = (FormFactorDot *) 0 ;
+ IRotation *arg2 = 0 ;
+ void *argp1 = 0 ;
+ int res1 = 0 ;
+ void *argp2 = 0 ;
+ int res2 = 0 ;
+ PyObject *swig_obj[2] ;
+ double result;
+
+ if (!SWIG_Python_UnpackTuple(args, "FormFactorDot_topZ", 2, 2, swig_obj)) SWIG_fail;
+ res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_FormFactorDot, 0 | 0 );
+ if (!SWIG_IsOK(res1)) {
+ SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "FormFactorDot_topZ" "', argument " "1"" of type '" "FormFactorDot const *""'");
+ }
+ arg1 = reinterpret_cast< FormFactorDot * >(argp1);
+ res2 = SWIG_ConvertPtr(swig_obj[1], &argp2, SWIGTYPE_p_IRotation, 0 | 0);
+ if (!SWIG_IsOK(res2)) {
+ SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "FormFactorDot_topZ" "', argument " "2"" of type '" "IRotation const &""'");
+ }
+ if (!argp2) {
+ SWIG_exception_fail(SWIG_ValueError, "invalid null reference " "in method '" "FormFactorDot_topZ" "', argument " "2"" of type '" "IRotation const &""'");
+ }
+ arg2 = reinterpret_cast< IRotation * >(argp2);
+ result = (double)((FormFactorDot const *)arg1)->topZ((IRotation const &)*arg2);
+ resultobj = SWIG_From_double(static_cast< double >(result));
+ return resultobj;
+fail:
+ return NULL;
+}
+
+
SWIGINTERN PyObject *_wrap_FormFactorDot_evaluate_for_q(PyObject *SWIGUNUSEDPARM(self), PyObject *args) {
PyObject *resultobj = 0;
FormFactorDot *arg1 = (FormFactorDot *) 0 ;
@@ -127310,9 +127409,17 @@ static PyMethodDef SwigMethods[] = {
{ "delete_FormFactorDodecahedron", _wrap_delete_FormFactorDodecahedron, METH_O, "delete_FormFactorDodecahedron(FormFactorDodecahedron self)"},
{ "FormFactorDodecahedron_swigregister", FormFactorDodecahedron_swigregister, METH_O, NULL},
{ "FormFactorDodecahedron_swiginit", FormFactorDodecahedron_swiginit, METH_VARARGS, NULL},
- { "new_FormFactorDot", _wrap_new_FormFactorDot, METH_NOARGS, "\n"
- "new_FormFactorDot() -> FormFactorDot\n"
- "FormFactorDot::FormFactorDot()\n"
+ { "new_FormFactorDot", _wrap_new_FormFactorDot, METH_O, "\n"
+ "new_FormFactorDot(double radius) -> FormFactorDot\n"
+ "FormFactorDot::FormFactorDot(double radius)\n"
+ "\n"
+ "Constructor.\n"
+ "\n"
+ "Parameters:\n"
+ "-----------\n"
+ "\n"
+ "rscat: \n"
+ "radius of a sphere with same forward scattering power, in nanometers \n"
"\n"
""},
{ "FormFactorDot_clone", _wrap_FormFactorDot_clone, METH_O, "\n"
@@ -127329,6 +127436,11 @@ static PyMethodDef SwigMethods[] = {
"Calls the INodeVisitor's visit method. \n"
"\n"
""},
+ { "FormFactorDot_getRadius", _wrap_FormFactorDot_getRadius, METH_O, "\n"
+ "FormFactorDot_getRadius(FormFactorDot self) -> double\n"
+ "double FormFactorDot::getRadius() const\n"
+ "\n"
+ ""},
{ "FormFactorDot_radialExtension", _wrap_FormFactorDot_radialExtension, METH_O, "\n"
"FormFactorDot_radialExtension(FormFactorDot self) -> double\n"
"double FormFactorDot::radialExtension() const override final\n"
@@ -127336,9 +127448,23 @@ static PyMethodDef SwigMethods[] = {
"Returns the (approximate in some cases) radial size of the particle of this form factor's shape. This is used for SSCA calculations \n"
"\n"
""},
+ { "FormFactorDot_bottomZ", _wrap_FormFactorDot_bottomZ, METH_VARARGS, "\n"
+ "FormFactorDot_bottomZ(FormFactorDot self, IRotation arg2) -> double\n"
+ "double FormFactorDot::bottomZ(const IRotation &) const override final\n"
+ "\n"
+ "Returns the z-coordinate of the lowest point in this shape after a given rotation. \n"
+ "\n"
+ ""},
+ { "FormFactorDot_topZ", _wrap_FormFactorDot_topZ, METH_VARARGS, "\n"
+ "FormFactorDot_topZ(FormFactorDot self, IRotation arg2) -> double\n"
+ "double FormFactorDot::topZ(const IRotation &) const override final\n"
+ "\n"
+ "Returns the z-coordinate of the lowest point in this shape after a given rotation. \n"
+ "\n"
+ ""},
{ "FormFactorDot_evaluate_for_q", _wrap_FormFactorDot_evaluate_for_q, METH_VARARGS, "\n"
- "FormFactorDot_evaluate_for_q(FormFactorDot self, cvector_t arg2) -> complex_t\n"
- "complex_t FormFactorDot::evaluate_for_q(cvector_t) const override final\n"
+ "FormFactorDot_evaluate_for_q(FormFactorDot self, cvector_t q) -> complex_t\n"
+ "complex_t FormFactorDot::evaluate_for_q(cvector_t q) const override final\n"
"\n"
"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. \n"
"\n"
@@ -127936,7 +128062,7 @@ static PyMethodDef SwigMethods[] = {
"FormFactorLongRipple1Gauss_evaluate_for_q(FormFactorLongRipple1Gauss self, cvector_t q) -> complex_t\n"
"complex_t FormFactorLongRipple1Gauss::evaluate_for_q(cvector_t q) const override final\n"
"\n"
- "Complex formfactor. \n"
+ "Complex form factor. \n"
"\n"
""},
{ "delete_FormFactorLongRipple1Gauss", _wrap_delete_FormFactorLongRipple1Gauss, METH_O, "delete_FormFactorLongRipple1Gauss(FormFactorLongRipple1Gauss self)"},
@@ -128001,7 +128127,7 @@ static PyMethodDef SwigMethods[] = {
"FormFactorLongRipple1Lorentz_evaluate_for_q(FormFactorLongRipple1Lorentz self, cvector_t q) -> complex_t\n"
"complex_t FormFactorLongRipple1Lorentz::evaluate_for_q(cvector_t q) const override final\n"
"\n"
- "Complex formfactor. \n"
+ "Complex form factor. \n"
"\n"
""},
{ "delete_FormFactorLongRipple1Lorentz", _wrap_delete_FormFactorLongRipple1Lorentz, METH_O, "delete_FormFactorLongRipple1Lorentz(FormFactorLongRipple1Lorentz self)"},
@@ -128074,7 +128200,7 @@ static PyMethodDef SwigMethods[] = {
"FormFactorLongRipple2Gauss_evaluate_for_q(FormFactorLongRipple2Gauss self, cvector_t q) -> complex_t\n"
"complex_t FormFactorLongRipple2Gauss::evaluate_for_q(cvector_t q) const override final\n"
"\n"
- "Complex formfactor. \n"
+ "Complex form factor. \n"
"\n"
""},
{ "delete_FormFactorLongRipple2Gauss", _wrap_delete_FormFactorLongRipple2Gauss, METH_O, "delete_FormFactorLongRipple2Gauss(FormFactorLongRipple2Gauss self)"},
@@ -128145,7 +128271,7 @@ static PyMethodDef SwigMethods[] = {
"FormFactorLongRipple2Lorentz_evaluate_for_q(FormFactorLongRipple2Lorentz self, cvector_t q) -> complex_t\n"
"complex_t FormFactorLongRipple2Lorentz::evaluate_for_q(cvector_t q) const override final\n"
"\n"
- "Complex formfactor. \n"
+ "Complex form factor. \n"
"\n"
""},
{ "delete_FormFactorLongRipple2Lorentz", _wrap_delete_FormFactorLongRipple2Lorentz, METH_O, "delete_FormFactorLongRipple2Lorentz(FormFactorLongRipple2Lorentz self)"},
@@ -128420,7 +128546,7 @@ static PyMethodDef SwigMethods[] = {
"FormFactorRipple1_evaluate_for_q(FormFactorRipple1 self, cvector_t q) -> complex_t\n"
"complex_t FormFactorRipple1::evaluate_for_q(cvector_t q) const override final\n"
"\n"
- "Complex formfactor. \n"
+ "Complex form factor. \n"
"\n"
""},
{ "delete_FormFactorRipple1", _wrap_delete_FormFactorRipple1, METH_O, "delete_FormFactorRipple1(FormFactorRipple1 self)"},
@@ -128493,7 +128619,7 @@ static PyMethodDef SwigMethods[] = {
"FormFactorRipple2_evaluate_for_q(FormFactorRipple2 self, cvector_t q) -> complex_t\n"
"complex_t FormFactorRipple2::evaluate_for_q(cvector_t q) const override final\n"
"\n"
- "Complex formfactor. \n"
+ "Complex form factor. \n"
"\n"
""},
{ "delete_FormFactorRipple2", _wrap_delete_FormFactorRipple2, METH_O, "delete_FormFactorRipple2(FormFactorRipple2 self)"},
@@ -128760,7 +128886,7 @@ static PyMethodDef SwigMethods[] = {
"FormFactorTruncatedSphere_evaluate_for_q(FormFactorTruncatedSphere self, cvector_t q) -> complex_t\n"
"complex_t FormFactorTruncatedSphere::evaluate_for_q(cvector_t q) const override final\n"
"\n"
- "Complex formfactor. \n"
+ "Complex form factor. \n"
"\n"
""},
{ "delete_FormFactorTruncatedSphere", _wrap_delete_FormFactorTruncatedSphere, METH_O, "delete_FormFactorTruncatedSphere(FormFactorTruncatedSphere self)"},
@@ -133204,7 +133330,7 @@ static PyMethodDef SwigMethods[] = {
"Material_scalarSubtrSLD(Material self, WavevectorInfo wavevectors) -> complex_t\n"
"complex_t Material::scalarSubtrSLD(const WavevectorInfo &wavevectors) const\n"
"\n"
- "Returns ( $ \\\\pi/\\\\lambda^2 $ - sld), sld (in $nm^{-2}$) being the scattering length density. \n"
+ "Returns ( $ \\\\pi/\\\\lambda^2 $ - sld), sld (in $nm^{-2}$) being the scattering length density \n"
"\n"
""},
{ "Material_transformedMaterial", _wrap_Material_transformedMaterial, METH_VARARGS, "\n"
diff --git a/auto/Wrap/libBornAgainFit_wrap.cpp b/auto/Wrap/libBornAgainFit_wrap.cpp
index 893e3aaada81bd2bd28625f07749c3d15ad28056..cce029d0b810be88d5e222b4c294bc81ff80343c 100644
--- a/auto/Wrap/libBornAgainFit_wrap.cpp
+++ b/auto/Wrap/libBornAgainFit_wrap.cpp
@@ -5491,7 +5491,7 @@ SWIG_AsVal_std_complex_Sl_double_Sg_ (PyObject *o, std::complex<double>* val)
SWIGINTERNINLINE PyObject*
-SWIG_From_std_complex_Sl_double_Sg_ (/*@SWIG:/usr/local/share/swig/4.0.1/typemaps/swigmacros.swg,104,%ifcplusplus@*/
+SWIG_From_std_complex_Sl_double_Sg_ (/*@SWIG:/usr/share/swig4.0/typemaps/swigmacros.swg,104,%ifcplusplus@*/
const std::complex<double>&