diff --git a/Core/Basics/Algorithms.h b/Core/Basics/Algorithms.h
new file mode 100644
index 0000000000000000000000000000000000000000..39c2f1480b313e62166547e263ce9cd0bfa36694
--- /dev/null
+++ b/Core/Basics/Algorithms.h
@@ -0,0 +1,65 @@
+// ************************************************************************** //
+//
+// BornAgain: simulate and fit scattering at grazing incidence
+//
+//! @file Core/Basics/Algorithms
+//! @brief Defines and implements namespace algo with some algorithms
+//!
+//! @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 ALGORITHMS_H
+#define ALGORITHMS_H
+
+#include <algorithm>
+#include <functional>
+#include <vector>
+#include <cassert>
+
+//! Some additions to standard library algorithms.
+
+namespace algo {
+
+//! Returns the minimum value of function evaluate as applied to the elements of an iterator range.
+template<typename Evaluator, typename Iterator>
+double min_value(const Iterator& begin, const Iterator& end, const Evaluator& evaluate);
+
+//! Returns the maximum value of function evaluate as applied to the elements of an iterator range.
+template<typename Evaluator, typename Iterator>
+double max_value(const Iterator& begin, const Iterator& end, const Evaluator& evaluate);
+
+} // namespace algo
+
+
+// ************************************************************************** //
+// Implementation
+// ************************************************************************** //
+
+template<typename Evaluator, typename Iterator>
+double algo::min_value(const Iterator& begin, const Iterator& end, const Evaluator& evaluate)
+{
+ assert(begin != end);
+ double ret = evaluate(*begin);
+ Iterator it = begin;
+ while (++it != end)
+ ret = std::min(ret, evaluate(*it));
+ return ret;
+}
+
+template<typename Evaluator, typename Iterator>
+double algo::max_value(const Iterator& begin, const Iterator& end, const Evaluator& evaluate)
+{
+ assert(begin != end);
+ double ret = evaluate(*begin);
+ Iterator it = begin;
+ while (++it != end)
+ ret = std::max(ret, evaluate(*it));
+ return ret;
+}
+
+
+#endif // ALGORITHMS_H
diff --git a/Core/HardParticle/FormFactorAnisoPyramid.cpp b/Core/HardParticle/FormFactorAnisoPyramid.cpp
index cbab683362d286163e480752aa1803328bef7468..20618ede7de72be268a252000e230a515c8855b7 100644
--- a/Core/HardParticle/FormFactorAnisoPyramid.cpp
+++ b/Core/HardParticle/FormFactorAnisoPyramid.cpp
@@ -13,7 +13,6 @@
// ************************************************************************** //
#include "FormFactorAnisoPyramid.h"
-#include "AnisoPyramid.h"
#include "BornAgainNamespace.h"
#include "Exceptions.h"
#include "MathConstants.h"
@@ -74,7 +73,6 @@ void FormFactorAnisoPyramid::onChange()
ostr << "Check for '2*height <= (length,width)*tan(alpha)' failed.";
throw Exceptions::ClassInitializationException(ostr.str());
}
- mP_shape.reset(new AnisoPyramid(m_length, m_width, m_height, m_alpha));
double D = m_length / 2;
double d = m_length / 2 * (1 - r);
diff --git a/Core/HardParticle/FormFactorBox.cpp b/Core/HardParticle/FormFactorBox.cpp
index 5ea1bd8cd8ee513f57b1d76acc13d66d0d9f83ff..519e7efc12ffa47b34b872ab11bb9efb32788d97 100644
--- a/Core/HardParticle/FormFactorBox.cpp
+++ b/Core/HardParticle/FormFactorBox.cpp
@@ -14,7 +14,6 @@
#include "FormFactorBox.h"
#include "BornAgainNamespace.h"
-#include "Box.h"
#include "MathFunctions.h"
#include "RealParameter.h"
@@ -23,7 +22,7 @@
//! @param width: width of the base in nanometers
//! @param height: height of the box in nanometers
FormFactorBox::FormFactorBox(double length, double width, double height)
- : m_length(length), m_width(width), m_height(height)
+ : FormFactorPolygonalPrism(height), m_length(length), m_width(width)
{
setName(BornAgain::FFBoxType);
registerParameter(BornAgain::Length, &m_length).setUnit(BornAgain::UnitsNm).setNonnegative();
@@ -35,7 +34,7 @@ FormFactorBox::FormFactorBox(double length, double width, double height)
complex_t FormFactorBox::evaluate_for_q(cvector_t q) const
{
complex_t qzHdiv2 = m_height / 2 * q.z();
- return m_height * m_length * m_width * MathFunctions::sinc(m_length / 2 * q.x())
+ return m_length * m_width * m_height * MathFunctions::sinc(m_length / 2 * q.x())
* MathFunctions::sinc(m_width / 2 * q.y()) * MathFunctions::sinc(qzHdiv2)
* exp_I(qzHdiv2);
}
@@ -50,5 +49,8 @@ IFormFactor* FormFactorBox::sliceFormFactor(ZLimits limits, const IRotation& rot
void FormFactorBox::onChange()
{
- mP_shape.reset(new Box(m_length, m_width, m_height));
+ double a = m_length/2;
+ double b = m_width/2;
+ std::vector<kvector_t> V{{a, b, 0.}, {-a, b, 0.}, {-a, -b, 0.}, {a, -b, 0}};
+ setPrism(true, V);
}
diff --git a/Core/HardParticle/FormFactorBox.h b/Core/HardParticle/FormFactorBox.h
index de00ff51de08fb7122c78d0a59c87023a067e6b5..285ff12875a7f943d2aca7bb0f36c1b3d169637c 100644
--- a/Core/HardParticle/FormFactorBox.h
+++ b/Core/HardParticle/FormFactorBox.h
@@ -15,12 +15,12 @@
#ifndef FORMFACTORBOX_H
#define FORMFACTORBOX_H
-#include "IFormFactorBorn.h"
+#include "FormFactorPolyhedron.h"
//! A rectangular prism (parallelepiped).
//! @ingroup hardParticle
-class BA_CORE_API_ FormFactorBox : public IFormFactorBorn
+class BA_CORE_API_ FormFactorBox : public FormFactorPolygonalPrism
{
public:
FormFactorBox(double length, double width, double height);
@@ -33,11 +33,10 @@ public:
void accept(INodeVisitor* visitor) const override final { visitor->visit(this); }
double getLength() const { return m_length; }
- double getHeight() const { return m_height; }
double getWidth() const { return m_width; }
+ double volume() const override final { return m_length*m_height*m_width; }
double radialExtension() const override final { return m_length / 2.0; }
-
complex_t evaluate_for_q(cvector_t q) const override final;
protected:
@@ -49,7 +48,6 @@ protected:
private:
double m_length;
double m_width;
- double m_height;
};
#endif // FORMFACTORBOX_H
diff --git a/Core/HardParticle/FormFactorCantellatedCube.cpp b/Core/HardParticle/FormFactorCantellatedCube.cpp
index f50eeef3c3573475a9099580a825d774b0a5bce3..ff7edfdd3bc71cb291e737d8c73e2555f681de85 100644
--- a/Core/HardParticle/FormFactorCantellatedCube.cpp
+++ b/Core/HardParticle/FormFactorCantellatedCube.cpp
@@ -16,7 +16,6 @@
#include "BornAgainNamespace.h"
#include "Exceptions.h"
#include "RealParameter.h"
-#include "TruncatedCube.h" // TODO
const PolyhedralTopology FormFactorCantellatedCube::topology = {
{
@@ -73,8 +72,6 @@ void FormFactorCantellatedCube::onChange()
ostr << "Check for removed_length <= 0.5*length failed.";
throw Exceptions::ClassInitializationException(ostr.str());
}
- mP_shape.reset(new TruncatedCube(m_length, m_removed_length));
-
double a = m_length / 2;
double b = m_removed_length;
diff --git a/Core/HardParticle/FormFactorCone6.cpp b/Core/HardParticle/FormFactorCone6.cpp
index fea9204e1bdcfba93e34900fffd5959edb06558f..ab1719c0c90146af1e1bb538f7e8c4e589fbc030 100644
--- a/Core/HardParticle/FormFactorCone6.cpp
+++ b/Core/HardParticle/FormFactorCone6.cpp
@@ -17,7 +17,6 @@
#include "Exceptions.h"
#include "MathConstants.h"
#include "MathFunctions.h"
-#include "Pyramid6.h"
#include "RealParameter.h"
const PolyhedralTopology FormFactorCone6::topology = {{{{5, 4, 3, 2, 1, 0}, true},
@@ -72,7 +71,6 @@ void FormFactorCone6::onChange()
ostr << ", alpha[rad]:" << m_alpha << ")";
throw Exceptions::ClassInitializationException(ostr.str());
}
- mP_shape.reset(new Pyramid6(m_base_edge, m_height, m_alpha));
double a = m_base_edge;
double as = a / 2;
diff --git a/Core/HardParticle/FormFactorCuboctahedron.cpp b/Core/HardParticle/FormFactorCuboctahedron.cpp
index 3b5d68a6e2632b30bbb4c41a1574e632f4067c64..0d4efa1952ec4649cc5f17dbb5eaf61a2a50349c 100644
--- a/Core/HardParticle/FormFactorCuboctahedron.cpp
+++ b/Core/HardParticle/FormFactorCuboctahedron.cpp
@@ -13,7 +13,6 @@
// ************************************************************************** //
#include "FormFactorCuboctahedron.h"
-#include "BiPyramid.h"
#include "BornAgainNamespace.h"
#include "Exceptions.h"
#include "FormFactorPyramid.h"
@@ -96,7 +95,6 @@ void FormFactorCuboctahedron::onChange()
ostr << "Check for '2.*height <= length*tan(alpha)*min(1.,1.0/height_ratio)' failed.";
throw Exceptions::ClassInitializationException(ostr.str());
}
- mP_shape.reset(new BiPyramid(m_length, m_height, m_height_ratio, m_alpha));
double a = m_length / 2 * (1 - r);
double b = m_length / 2;
diff --git a/Core/HardParticle/FormFactorDodecahedron.cpp b/Core/HardParticle/FormFactorDodecahedron.cpp
index 37f0aa76f1108163bdaccd32495648dc3b21a3c9..7de93efecfeaf7670655020606b87f4a952f22ef 100644
--- a/Core/HardParticle/FormFactorDodecahedron.cpp
+++ b/Core/HardParticle/FormFactorDodecahedron.cpp
@@ -14,7 +14,6 @@
#include "FormFactorDodecahedron.h"
#include "BornAgainNamespace.h"
-#include "Dodecahedron.h"
#include "RealParameter.h"
const PolyhedralTopology FormFactorDodecahedron::topology = {{// bottom:
@@ -46,7 +45,6 @@ FormFactorDodecahedron::FormFactorDodecahedron(double edge) : FormFactorPolyhedr
void FormFactorDodecahedron::onChange()
{
- mP_shape.reset(new Dodecahedron(m_edge));
double a = m_edge;
setPolyhedron(topology, -1.113516364411607 * a,
{{0.8506508083520399 * a, 0 * a, -1.113516364411607 * a},
diff --git a/Core/HardParticle/FormFactorDot.cpp b/Core/HardParticle/FormFactorDot.cpp
index a8e8cd858e1e088ab60f8f307f05e1f9f388b182..734421b9845ae377c2c626e770507da6ff3c24d6 100644
--- a/Core/HardParticle/FormFactorDot.cpp
+++ b/Core/HardParticle/FormFactorDot.cpp
@@ -14,7 +14,6 @@
#include "FormFactorDot.h"
#include "BornAgainNamespace.h"
-#include "Dot.h"
#include "RealParameter.h"
//! Constructor.
diff --git a/Core/HardParticle/FormFactorDot.h b/Core/HardParticle/FormFactorDot.h
index 315ee2bec285e958e915b14cb94096fcd5a68dcb..368c0b5e757a452f14b5f06d3d4a1491d07a31f3 100644
--- a/Core/HardParticle/FormFactorDot.h
+++ b/Core/HardParticle/FormFactorDot.h
@@ -33,7 +33,6 @@ public:
double radialExtension() const override final { return 0; }
double bottomZ(const IRotation&) const override final { return 0; }
-
double topZ(const IRotation&) const override final { return 0; }
complex_t evaluate_for_q(cvector_t q) const override final;
diff --git a/Core/HardParticle/FormFactorFullSphere.cpp b/Core/HardParticle/FormFactorFullSphere.cpp
index c923c93f223486a783d90260a74f5a23a8d62b19..486c2c1e8a217231765067e0dbb7337150953c85 100644
--- a/Core/HardParticle/FormFactorFullSphere.cpp
+++ b/Core/HardParticle/FormFactorFullSphere.cpp
@@ -19,7 +19,6 @@
#include "MathConstants.h"
#include "RealParameter.h"
#include "Rotations.h"
-#include "TruncatedEllipsoid.h"
//! Constructor of a full sphere.
//! @param radius: radius of the sphere in nanometers
diff --git a/Core/HardParticle/FormFactorIcosahedron.cpp b/Core/HardParticle/FormFactorIcosahedron.cpp
index 33d8ff439e85a95803abb74c1171501eb781ec92..48316ff3892fa532ba9bdef83a1548ade70d9b7c 100644
--- a/Core/HardParticle/FormFactorIcosahedron.cpp
+++ b/Core/HardParticle/FormFactorIcosahedron.cpp
@@ -14,7 +14,6 @@
#include "FormFactorIcosahedron.h"
#include "BornAgainNamespace.h"
-#include "Icosahedron.h"
#include "RealParameter.h"
const PolyhedralTopology FormFactorIcosahedron::topology = {{// bottom:
@@ -56,7 +55,6 @@ FormFactorIcosahedron::FormFactorIcosahedron(double edge) : FormFactorPolyhedron
void FormFactorIcosahedron::onChange()
{
- mP_shape.reset(new Icosahedron(m_edge));
double a = m_edge;
setPolyhedron(topology, -0.7557613140761708 * a,
{{0.5773502691896258 * a, 0 * a, -0.7557613140761708 * a},
diff --git a/Core/HardParticle/FormFactorPolyhedron.cpp b/Core/HardParticle/FormFactorPolyhedron.cpp
index 56dbe632383c238313e814d8637011f675bf2616..5d203326c297d33900550b190e2b280dd0a038dd 100644
--- a/Core/HardParticle/FormFactorPolyhedron.cpp
+++ b/Core/HardParticle/FormFactorPolyhedron.cpp
@@ -20,6 +20,7 @@
#include "MathFunctions.h"
#include "Precomputed.h"
#include "RealParameter.h"
+#include "Rotations.h"
#include <iomanip>
#include <stdexcept> // need overlooked by g++ 5.4
@@ -421,11 +422,15 @@ void FormFactorPolyhedron::setLimits(double _q, int _n)
//! Called by child classes to set faces and other internal variables.
-void FormFactorPolyhedron::setPolyhedron(const PolyhedralTopology& topology, double z_origin,
+void FormFactorPolyhedron::setPolyhedron(const PolyhedralTopology& topology, double z_bottom,
const std::vector<kvector_t>& vertices)
{
+ m_vertices.clear();
+ for (const kvector_t& vertex: vertices)
+ m_vertices.push_back(vertex - kvector_t{0, 0, z_bottom});
+
try {
- m_z_origin = z_origin;
+ m_z_bottom = z_bottom;
m_sym_Ci = topology.symmetry_Ci;
double diameter = 0;
@@ -472,12 +477,22 @@ void FormFactorPolyhedron::setPolyhedron(const PolyhedralTopology& topology, dou
}
}
-//! Returns the form factor F(q) of this polyhedron, respecting the offset z_origin.
+double FormFactorPolyhedron::bottomZ(const IRotation& rotation) const
+{
+ return BottomZ(m_vertices, rotation.getTransform3D());
+}
+
+double FormFactorPolyhedron::topZ(const IRotation& rotation) const
+{
+ return TopZ(m_vertices, rotation.getTransform3D());
+}
+
+//! Returns the form factor F(q) of this polyhedron, respecting the offset z_bottom.
complex_t FormFactorPolyhedron::evaluate_for_q(cvector_t q) const
{
try {
- return exp_I(-m_z_origin * q.z()) * evaluate_centered(q);
+ return exp_I(-m_z_bottom * q.z()) * evaluate_centered(q);
} catch (std::logic_error& e) {
throw std::logic_error("Bug in " + getName() + ": " + e.what()
+ " [please report to the maintainers]");
@@ -587,6 +602,12 @@ void FormFactorPolyhedron::assert_platonic() const
void FormFactorPolygonalPrism::setPrism(bool symmetry_Ci, const std::vector<kvector_t>& vertices)
{
+ m_vertices.clear();
+ for (const kvector_t& vertex: vertices) {
+ m_vertices.push_back(vertex);
+ m_vertices.push_back(vertex + kvector_t{0, 0, m_height});
+ }
+
try {
m_base = std::unique_ptr<PolyhedralFace>(new PolyhedralFace(vertices, symmetry_Ci));
} catch (std::invalid_argument& e) {
@@ -600,6 +621,16 @@ void FormFactorPolygonalPrism::setPrism(bool symmetry_Ci, const std::vector<kvec
}
}
+double FormFactorPolygonalPrism::bottomZ(const IRotation& rotation) const
+{
+ return BottomZ(m_vertices, rotation.getTransform3D());
+}
+
+double FormFactorPolygonalPrism::topZ(const IRotation& rotation) const
+{
+ return TopZ(m_vertices, rotation.getTransform3D());
+}
+
//! Returns the volume of this prism.
double FormFactorPolygonalPrism::volume() const
{
diff --git a/Core/HardParticle/FormFactorPolyhedron.h b/Core/HardParticle/FormFactorPolyhedron.h
index 0b575727991c93b9b053e397f04557c9fd23e9ec..c1bb59bd8223a4dfc951d359f070ed3dbefd30bf 100644
--- a/Core/HardParticle/FormFactorPolyhedron.h
+++ b/Core/HardParticle/FormFactorPolyhedron.h
@@ -67,7 +67,6 @@ public:
bool _sym_S2 = false);
double area() const { return m_area; }
- kvector_t center() const { return m_center; }
double pyramidalVolume() const { return m_rperp * m_area / 3; }
double radius3d() const { return m_radius_3d; }
//! Returns conj(q)*normal [BasicVector3D::dot is antilinear in 'this' argument]
@@ -88,7 +87,6 @@ private:
double m_rperp; //!< distance of this polygon's plane from the origin, along 'm_normal'
double m_radius_2d; //!< radius of enclosing cylinder
double m_radius_3d; //!< radius of enclosing sphere
- kvector_t m_center; //!< center of mass
void decompose_q(cvector_t q, complex_t& qperp, cvector_t& qpa) const;
complex_t ff_n_core(int m, cvector_t qpa, complex_t qperp) const;
@@ -108,6 +106,9 @@ public:
FormFactorPolyhedron() {}
+ double bottomZ(const IRotation& rotation) const override final;
+ double topZ(const IRotation& rotation) const override final;
+
complex_t evaluate_for_q(cvector_t q) const override final;
complex_t evaluate_centered(cvector_t q) const;
@@ -116,10 +117,10 @@ public:
void assert_platonic() const;
protected:
- double m_z_origin;
+ double m_z_bottom;
bool m_sym_Ci; //!< if true, then faces obtainable by inversion are not provided
- void setPolyhedron(const PolyhedralTopology& topology, double z_origin,
+ void setPolyhedron(const PolyhedralTopology& topology, double z_bottom,
const std::vector<kvector_t>& vertices);
private:
@@ -129,6 +130,7 @@ private:
std::vector<PolyhedralFace> m_faces;
double m_radius;
double m_volume;
+ std::vector<kvector_t> m_vertices; //! for topZ, bottomZ computation only
};
//! A prism with a polygonal base, for form factor computation.
@@ -138,15 +140,19 @@ class BA_CORE_API_ FormFactorPolygonalPrism : public IFormFactorBorn
public:
FormFactorPolygonalPrism(double height) : m_height(height) {}
- complex_t evaluate_for_q(cvector_t q) const override final;
- double volume() const override final;
+ double bottomZ(const IRotation& rotation) const override final;
+ double topZ(const IRotation& rotation) const override final;
+
+ virtual complex_t evaluate_for_q(cvector_t q) const override;
+ virtual double volume() const override;
double getHeight() const { return m_height; }
- double radialExtension() const override final { return std::sqrt(m_base->area()); }
+ virtual double radialExtension() const override { return std::sqrt(m_base->area()); }
protected:
std::unique_ptr<PolyhedralFace> m_base;
double m_height;
void setPrism(bool symmetry_Ci, const std::vector<kvector_t>& vertices);
+ std::vector<kvector_t> m_vertices; //! for topZ, bottomZ computation only
};
//! A polygonal surface, for testing form factor computations.
diff --git a/Core/HardParticle/FormFactorPrism3.cpp b/Core/HardParticle/FormFactorPrism3.cpp
index 11b0a7b9697baf56c425cea7f98dcc14b7558de4..77530c430649eb95e212cc46f9079261e459c927 100644
--- a/Core/HardParticle/FormFactorPrism3.cpp
+++ b/Core/HardParticle/FormFactorPrism3.cpp
@@ -14,7 +14,6 @@
#include "FormFactorPrism3.h"
#include "BornAgainNamespace.h"
-#include "Pyramid3.h"
#include "RealParameter.h"
#include <iostream>
@@ -42,7 +41,6 @@ IFormFactor* FormFactorPrism3::sliceFormFactor(ZLimits limits, const IRotation&
void FormFactorPrism3::onChange()
{
- mP_shape.reset(new Pyramid3(m_base_edge, m_height, M_PI_2));
double a = m_base_edge;
double as = a / 2;
double ac = a / sqrt(3) / 2;
diff --git a/Core/HardParticle/FormFactorPrism6.cpp b/Core/HardParticle/FormFactorPrism6.cpp
index 885e0e698dde16d62ed821ef15c15d0da00ad631..625dad901cb65066911615917650eaa3b9e86109 100644
--- a/Core/HardParticle/FormFactorPrism6.cpp
+++ b/Core/HardParticle/FormFactorPrism6.cpp
@@ -14,7 +14,6 @@
#include "FormFactorPrism6.h"
#include "BornAgainNamespace.h"
-#include "Pyramid6.h"
#include "RealParameter.h"
//! Constructor of a prism with a regular hexagonal base.
@@ -41,7 +40,6 @@ IFormFactor* FormFactorPrism6::sliceFormFactor(ZLimits limits, const IRotation&
void FormFactorPrism6::onChange()
{
- mP_shape.reset(new Pyramid6(m_base_edge, m_height, M_PI_2));
double a = m_base_edge;
double as = a * sqrt(3) / 2;
double ac = a / 2;
diff --git a/Core/HardParticle/FormFactorPyramid.cpp b/Core/HardParticle/FormFactorPyramid.cpp
index e525e4f37a844041ed121b428f70bcc9870fb03c..704889f277ee49d7725ceb1771b89918332d5452 100644
--- a/Core/HardParticle/FormFactorPyramid.cpp
+++ b/Core/HardParticle/FormFactorPyramid.cpp
@@ -13,7 +13,6 @@
// ************************************************************************** //
#include "FormFactorPyramid.h"
-#include "AnisoPyramid.h"
#include "BornAgainNamespace.h"
#include "Exceptions.h"
#include "MathConstants.h"
@@ -71,7 +70,6 @@ void FormFactorPyramid::onChange()
ostr << "Check for 'height <= base_edge*tan(alpha)' failed.";
throw Exceptions::ClassInitializationException(ostr.str());
}
- mP_shape.reset(new AnisoPyramid(m_base_edge, m_base_edge, m_height, m_alpha));
double a = m_base_edge / 2;
double b = a * (1 - r);
diff --git a/Core/HardParticle/FormFactorTetrahedron.cpp b/Core/HardParticle/FormFactorTetrahedron.cpp
index 78162e4d83cbcbbaae949ca64f16e850ccbb1b56..f92d4d54eb4c691346c514d2c8c0e0ab12d36652 100644
--- a/Core/HardParticle/FormFactorTetrahedron.cpp
+++ b/Core/HardParticle/FormFactorTetrahedron.cpp
@@ -17,7 +17,6 @@
#include "Exceptions.h"
#include "MathConstants.h"
#include "MathFunctions.h"
-#include "Pyramid3.h"
#include "RealParameter.h"
const PolyhedralTopology FormFactorTetrahedron::topology = {{{{2, 1, 0}, false},
@@ -69,7 +68,6 @@ void FormFactorTetrahedron::onChange()
ostr << ", alpha[rad]:" << m_alpha << ")";
throw Exceptions::ClassInitializationException(ostr.str());
}
- mP_shape.reset(new Pyramid3(m_base_edge, m_height, m_alpha));
double a = m_base_edge;
double as = a / 2;
diff --git a/Core/HardParticle/FormFactorTriangle.cpp b/Core/HardParticle/FormFactorTriangle.cpp
index c646c527a18a7b06e4c455d0a093f8a14e16252e..1c1534620aa4bf067329e740a2f7e4da52abef18 100644
--- a/Core/HardParticle/FormFactorTriangle.cpp
+++ b/Core/HardParticle/FormFactorTriangle.cpp
@@ -16,7 +16,6 @@
#include "BornAgainNamespace.h"
#include "RealLimits.h"
#include "RealParameter.h"
-#include "Triangle.h"
FormFactorTriangle::FormFactorTriangle(const double base_edge) : m_base_edge(base_edge)
{
@@ -29,7 +28,6 @@ FormFactorTriangle::FormFactorTriangle(const double base_edge) : m_base_edge(bas
void FormFactorTriangle::onChange()
{
- mP_shape.reset(new Triangle(m_base_edge, 0.0));
double a = m_base_edge;
double as = a / 2;
double ac = a / sqrt(3) / 2;
diff --git a/Core/HardParticle/FormFactorTruncatedCube.cpp b/Core/HardParticle/FormFactorTruncatedCube.cpp
index f807914a26150ced423d3deb62b71e2cd5a8c40d..2dbe513131d209400ff7768e2a8efe034f2fdc45 100644
--- a/Core/HardParticle/FormFactorTruncatedCube.cpp
+++ b/Core/HardParticle/FormFactorTruncatedCube.cpp
@@ -16,7 +16,6 @@
#include "BornAgainNamespace.h"
#include "Exceptions.h"
#include "RealParameter.h"
-#include "TruncatedCube.h"
const PolyhedralTopology FormFactorTruncatedCube::topology = {
{{{0, 1, 7, 6, 9, 10, 4, 3}, true},
@@ -59,7 +58,6 @@ void FormFactorTruncatedCube::onChange()
ostr << "Check for removed_length <= 0.5*length failed.";
throw Exceptions::ClassInitializationException(ostr.str());
}
- mP_shape.reset(new TruncatedCube(m_length, m_removed_length));
double a = m_length / 2;
double b = m_removed_length;
diff --git a/Core/Particle/FormFactorWeighted.cpp b/Core/Particle/FormFactorWeighted.cpp
index 53f7d7bcec291b632523bbebf5bb76a8733332ef..9b19919fca9621ffb3cad387cbf7fffc90c73ae1 100644
--- a/Core/Particle/FormFactorWeighted.cpp
+++ b/Core/Particle/FormFactorWeighted.cpp
@@ -13,6 +13,7 @@
// ************************************************************************** //
#include "FormFactorWeighted.h"
+#include "Algorithms.h"
#include "BornAgainNamespace.h"
FormFactorWeighted::FormFactorWeighted()
@@ -47,10 +48,8 @@ double FormFactorWeighted::bottomZ(const IRotation& rotation) const
if (m_form_factors.size() == 0)
throw std::runtime_error("FormFactorWeighted::bottomZ() -> Error: "
"'this' contains no form factors.");
- double zmin = m_form_factors[0]->bottomZ(rotation);
- for (size_t index = 1; index < m_form_factors.size(); ++index)
- zmin = std::min(zmin, m_form_factors[index]->bottomZ(rotation));
- return zmin;
+ return algo::min_value(m_form_factors.begin(), m_form_factors.end(),
+ [&rotation](IFormFactor* ff) { return ff->bottomZ(rotation); });
}
double FormFactorWeighted::topZ(const IRotation& rotation) const
@@ -58,10 +57,8 @@ double FormFactorWeighted::topZ(const IRotation& rotation) const
if (m_form_factors.size() == 0)
throw std::runtime_error("FormFactorWeighted::topZ() -> Error: "
"'this' contains no form factors.");
- double zmax = m_form_factors[0]->topZ(rotation);
- for (size_t index = 1; index < m_form_factors.size(); ++index)
- zmax = std::min(zmax, m_form_factors[index]->topZ(rotation));
- return zmax;
+ return algo::max_value(m_form_factors.begin(), m_form_factors.end(),
+ [&rotation](IFormFactor* ff) { return ff->topZ(rotation); });
}
void FormFactorWeighted::addFormFactor(const IFormFactor& form_factor, double weight)
diff --git a/Core/Scattering/IFormFactorBorn.cpp b/Core/Scattering/IFormFactorBorn.cpp
index 3651ff7dae8ff16eb75a5bea9cdff412b4190dc5..93437c967b4711a494a44168407d21fc02d79ed6 100644
--- a/Core/Scattering/IFormFactorBorn.cpp
+++ b/Core/Scattering/IFormFactorBorn.cpp
@@ -13,13 +13,11 @@
// ************************************************************************** //
#include "IFormFactorBorn.h"
-#include "Dot.h"
+#include "Algorithms.h"
#include "Exceptions.h"
#include "Rotations.h"
#include "WavevectorInfo.h"
-IFormFactorBorn::IFormFactorBorn() : mP_shape(new Dot()) {}
-
complex_t IFormFactorBorn::evaluate(const WavevectorInfo& wavevectors) const
{
return evaluate_for_q(wavevectors.getQ());
@@ -32,11 +30,15 @@ Eigen::Matrix2cd IFormFactorBorn::evaluatePol(const WavevectorInfo& wavevectors)
double IFormFactorBorn::bottomZ(const IRotation& rotation) const
{
+ if (!mP_shape)
+ return 0;
return BottomZ(mP_shape->vertices(), rotation.getTransform3D());
}
double IFormFactorBorn::topZ(const IRotation& rotation) const
{
+ if (!mP_shape)
+ return 0;
return TopZ(mP_shape->vertices(), rotation.getTransform3D());
}
@@ -87,3 +89,23 @@ SlicingEffects IFormFactorBorn::computeSlicingEffects(ZLimits limits, const kvec
new_position.setZ(lower_limit.m_value);
return {new_position, dz_bottom, dz_top};
}
+
+
+
+double IFormFactorBorn::BottomZ(const std::vector<kvector_t>& vertices, const Transform3D& rotation)
+{
+ if (vertices.size() == 0)
+ throw std::runtime_error("BottomZ() error: no vertices passed!");
+ return algo::min_value(vertices.begin(), vertices.end(),
+ [&](const kvector_t& vertex) -> double
+ { return rotation.transformed(vertex).z(); });
+}
+
+double IFormFactorBorn::TopZ(const std::vector<kvector_t>& vertices, const Transform3D& rotation)
+{
+ if (vertices.size() == 0)
+ throw std::runtime_error("TopZ() error: no vertices passed!");
+ return algo::max_value(vertices.begin(), vertices.end(),
+ [&](const kvector_t& vertex) -> double
+ { return rotation.transformed(vertex).z(); });
+}
diff --git a/Core/Scattering/IFormFactorBorn.h b/Core/Scattering/IFormFactorBorn.h
index 821a51b9c3b3c70e303be2cbe7241950d14d368e..7dc78b6fef784ad697895845dfa623b600c2da43 100644
--- a/Core/Scattering/IFormFactorBorn.h
+++ b/Core/Scattering/IFormFactorBorn.h
@@ -32,7 +32,7 @@ struct SlicingEffects;
class BA_CORE_API_ IFormFactorBorn : public IFormFactor
{
public:
- IFormFactorBorn();
+ IFormFactorBorn() = default;
~IFormFactorBorn() override {}
IFormFactorBorn* clone() const override = 0;
@@ -45,9 +45,8 @@ public:
Eigen::Matrix2cd evaluatePol(const WavevectorInfo& wavevectors) const override;
#endif
- double bottomZ(const IRotation& rotation) const override;
-
- double topZ(const IRotation& rotation) const override;
+ virtual double bottomZ(const IRotation& rotation) const override;
+ virtual double topZ(const IRotation& rotation) const override;
//! 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.
@@ -71,6 +70,12 @@ protected:
//! Helper method for slicing
SlicingEffects computeSlicingEffects(ZLimits limits, const kvector_t& position,
double height) const;
+
+ //! Calculates the z-coordinate of the lowest vertex after rotation
+ static double BottomZ(const std::vector<kvector_t>& vertices, const Transform3D& rotation);
+
+ //! Calculates the z-coordinate of the highest vertex after rotation
+ static double TopZ(const std::vector<kvector_t>& vertices, const Transform3D& rotation);
};
//! Nested structure that holds slicing effects on position and removed parts.
diff --git a/Core/Shapes/AnisoPyramid.cpp b/Core/Shapes/AnisoPyramid.cpp
deleted file mode 100644
index ca472ecc43699ee5b9c02811dcfb3cb4ca6a460b..0000000000000000000000000000000000000000
--- a/Core/Shapes/AnisoPyramid.cpp
+++ /dev/null
@@ -1,31 +0,0 @@
-// ************************************************************************** //
-//
-// BornAgain: simulate and fit scattering at grazing incidence
-//
-//! @file Core/Shapes/AnisoPyramid.cpp
-//! @brief Implements class AnisoPyramid.
-//!
-//! @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 "AnisoPyramid.h"
-#include "MathFunctions.h"
-
-#include <algorithm>
-
-AnisoPyramid::AnisoPyramid(double length, double width, double height, double alpha)
-{
- m_vertices.resize(8);
- double cot_alpha = MathFunctions::cot(alpha);
- double delta = 2.0 * height * cot_alpha;
- auto bottom_face = RectangleVertices(length, width, 0.0);
- auto top_face = RectangleVertices(length - delta, width - delta, height);
- std::move(bottom_face.begin(), bottom_face.end(), m_vertices.begin());
- std::move(top_face.begin(), top_face.end(), m_vertices.begin() + 4);
-}
-
-AnisoPyramid::~AnisoPyramid() {}
diff --git a/Core/Shapes/AnisoPyramid.h b/Core/Shapes/AnisoPyramid.h
deleted file mode 100644
index 1a530d8af664e7f0193cad93399953beda282141..0000000000000000000000000000000000000000
--- a/Core/Shapes/AnisoPyramid.h
+++ /dev/null
@@ -1,27 +0,0 @@
-// ************************************************************************** //
-//
-// BornAgain: simulate and fit scattering at grazing incidence
-//
-//! @file Core/Shapes/AnisoPyramid.h
-//! @brief Defines class AnisoPyramid.
-//!
-//! @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 ANISOPYRAMID_H
-#define ANISOPYRAMID_H
-
-#include "IShape.h"
-
-class AnisoPyramid : public IShape
-{
-public:
- AnisoPyramid(double length, double width, double height, double alpha);
- ~AnisoPyramid();
-};
-
-#endif // ANISOPYRAMID_H
diff --git a/Core/Shapes/BiPyramid.cpp b/Core/Shapes/BiPyramid.cpp
deleted file mode 100644
index 838a5a05c454a703b8d918b1644d42653c386597..0000000000000000000000000000000000000000
--- a/Core/Shapes/BiPyramid.cpp
+++ /dev/null
@@ -1,35 +0,0 @@
-// ************************************************************************** //
-//
-// BornAgain: simulate and fit scattering at grazing incidence
-//
-//! @file Core/Shapes/BiPyramid.cpp
-//! @brief Implements class BiPyramid.
-//!
-//! @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 "BiPyramid.h"
-#include "MathFunctions.h"
-
-#include <algorithm>
-
-BiPyramid::BiPyramid(double length, double height, double height_ratio, double alpha)
-{
- m_vertices.resize(12);
- double cot_alpha = MathFunctions::cot(alpha);
- double delta_1 = 2.0 * height * cot_alpha;
- double delta_2 = 2.0 * height_ratio * height * cot_alpha;
- auto bottom_face = RectangleVertices(length, length, 0.0);
- auto mid_face = RectangleVertices(length + delta_1, length + delta_1, height);
- auto top_face = RectangleVertices(length + delta_1 - delta_2, length + delta_1 - delta_2,
- (height_ratio + 1.0) * height);
- std::move(bottom_face.begin(), bottom_face.end(), m_vertices.begin());
- std::move(mid_face.begin(), mid_face.end(), m_vertices.begin() + 4);
- std::move(top_face.begin(), top_face.end(), m_vertices.begin() + 8);
-}
-
-BiPyramid::~BiPyramid() {}
diff --git a/Core/Shapes/BiPyramid.h b/Core/Shapes/BiPyramid.h
deleted file mode 100644
index a9eea0a7e75adcfeb9662bbe82dbfdf7f6fb38e9..0000000000000000000000000000000000000000
--- a/Core/Shapes/BiPyramid.h
+++ /dev/null
@@ -1,27 +0,0 @@
-// ************************************************************************** //
-//
-// BornAgain: simulate and fit scattering at grazing incidence
-//
-//! @file Core/Shapes/BiPyramid.h
-//! @brief Defines class BiPyramid.
-//!
-//! @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 BIPYRAMID_H
-#define BIPYRAMID_H
-
-#include "IShape.h"
-
-class BiPyramid : public IShape
-{
-public:
- BiPyramid(double length, double height, double height_ratio, double alpha);
- ~BiPyramid();
-};
-
-#endif // BIPYRAMID_H
diff --git a/Core/Shapes/Dodecahedron.cpp b/Core/Shapes/Dodecahedron.cpp
deleted file mode 100644
index d9e9896d675a3665409f2c0dd64c33905043be2c..0000000000000000000000000000000000000000
--- a/Core/Shapes/Dodecahedron.cpp
+++ /dev/null
@@ -1,42 +0,0 @@
-// ************************************************************************** //
-//
-// BornAgain: simulate and fit scattering at grazing incidence
-//
-//! @file Core/Shapes/Dodecahedron.cpp
-//! @brief Implements class Dodecahedron.
-//!
-//! @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 "Dodecahedron.h"
-
-Dodecahedron::Dodecahedron(double edge)
-{
- m_vertices = {
- {0.8506508083520399 * edge, 0 * edge, 0.0},
- {0.2628655560595668 * edge, 0.8090169943749473 * edge, 0.0},
- {-0.6881909602355868 * edge, 0.5 * edge, 0.0},
- {-0.6881909602355868 * edge, -0.5 * edge, 0.0},
- {0.2628655560595668 * edge, -0.8090169943749473 * edge, 0.0},
- {1.376381920471174 * edge, 0 * edge, 0.8506508083520403 * edge},
- {0.42532540417602 * edge, 1.309016994374947 * edge, 0.8506508083520403 * edge},
- {-1.113516364411607 * edge, 0.8090169943749475 * edge, 0.8506508083520403 * edge},
- {-1.113516364411607 * edge, -0.8090169943749475 * edge, 0.8506508083520403 * edge},
- {0.42532540417602 * edge, -1.309016994374947 * edge, 0.8506508083520403 * edge},
- {-1.376381920471174 * edge, 0 * edge, 1.3763819204711737 * edge},
- {-0.42532540417602 * edge, -1.309016994374947 * edge, 1.3763819204711737 * edge},
- {1.113516364411607 * edge, -0.8090169943749475 * edge, 1.3763819204711737 * edge},
- {1.113516364411607 * edge, 0.8090169943749475 * edge, 1.3763819204711737 * edge},
- {-0.42532540417602 * edge, 1.309016994374947 * edge, 1.3763819204711737 * edge},
- {-0.8506508083520399 * edge, 0 * edge, 2.227032728823214 * edge},
- {-0.2628655560595668 * edge, -0.8090169943749473 * edge, 2.227032728823214 * edge},
- {0.6881909602355868 * edge, -0.5 * edge, 2.227032728823214 * edge},
- {0.6881909602355868 * edge, 0.5 * edge, 2.227032728823214 * edge},
- {-0.2628655560595668 * edge, 0.8090169943749473 * edge, 2.227032728823214 * edge}};
-}
-
-Dodecahedron::~Dodecahedron() {}
diff --git a/Core/Shapes/Dodecahedron.h b/Core/Shapes/Dodecahedron.h
deleted file mode 100644
index c56952b3567bd6124dc59401234101ebf34d367c..0000000000000000000000000000000000000000
--- a/Core/Shapes/Dodecahedron.h
+++ /dev/null
@@ -1,27 +0,0 @@
-// ************************************************************************** //
-//
-// BornAgain: simulate and fit scattering at grazing incidence
-//
-//! @file Core/Shapes/Dodecahedron.h
-//! @brief Defines class Dodecahedron.
-//!
-//! @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 DODECAHEDRON_H
-#define DODECAHEDRON_H
-
-#include "IShape.h"
-
-class Dodecahedron : public IShape
-{
-public:
- Dodecahedron(double edge);
- ~Dodecahedron();
-};
-
-#endif // DODECAHEDRON_H
diff --git a/Core/Shapes/Dot.cpp b/Core/Shapes/Dot.cpp
deleted file mode 100644
index 7f4cd05453b8a0bb32c09deb252b4b8946ad55be..0000000000000000000000000000000000000000
--- a/Core/Shapes/Dot.cpp
+++ /dev/null
@@ -1,22 +0,0 @@
-// ************************************************************************** //
-//
-// BornAgain: simulate and fit scattering at grazing incidence
-//
-//! @file Core/Shapes/Dot.cpp
-//! @brief Implements class Dot.
-//!
-//! @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 "Dot.h"
-
-Dot::Dot()
-{
- m_vertices.push_back(kvector_t(0.0, 0.0, 0.0));
-}
-
-Dot::~Dot() {}
diff --git a/Core/Shapes/Dot.h b/Core/Shapes/Dot.h
deleted file mode 100644
index 30c1577bb93cfccfb596043184a66105e5ae33b1..0000000000000000000000000000000000000000
--- a/Core/Shapes/Dot.h
+++ /dev/null
@@ -1,27 +0,0 @@
-// ************************************************************************** //
-//
-// BornAgain: simulate and fit scattering at grazing incidence
-//
-//! @file Core/Shapes/Dot.h
-//! @brief Defines class Dot.
-//!
-//! @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 DOT_H
-#define DOT_H
-
-#include "IShape.h"
-
-class Dot : public IShape
-{
-public:
- Dot();
- ~Dot();
-};
-
-#endif // DOT_H
diff --git a/Core/Shapes/IShape.cpp b/Core/Shapes/IShape.cpp
index 6908bc04c03616c10030be73c17d789a9559fac2..ae4c0c89c372147a4a80601674951b7b52e86bfd 100644
--- a/Core/Shapes/IShape.cpp
+++ b/Core/Shapes/IShape.cpp
@@ -34,27 +34,6 @@ std::vector<kvector_t> RectangleVertices(double length, double width, double z)
return result;
}
-std::vector<kvector_t> TriangleVertices(double length, double z)
-{
- static const double sqrt3 = std::sqrt(3.0);
- double L = length / sqrt3;
- std::vector<kvector_t> result = {
- {L, 0.0, z}, {-L / 2.0, length / 2.0, z}, {-L / 2.0, -length / 2.0, z}};
- return result;
-}
-
-std::vector<kvector_t> HexagonVertices(double length, double z)
-{
- static const double sqrt3 = std::sqrt(3.0);
- std::vector<kvector_t> result = {{length, 0.0, z},
- {length / 2.0, length * sqrt3 / 2.0, z},
- {-length / 2.0, length * sqrt3 / 2.0, z},
- {-length, 0.0, z},
- {-length / 2.0, -length * sqrt3 / 2.0, z},
- {length / 2.0, -length * sqrt3 / 2.0, z}};
- return result;
-}
-
std::vector<kvector_t> EllipseVertices(double r_x, double r_y, double z)
{
static constexpr double delta_angle = 2.0 * M_PI / IShape::N_Circle;
diff --git a/Core/Shapes/IShape.h b/Core/Shapes/IShape.h
index 3bdfcfe1d05f19c5b3beb2bc4202217c8b26dd29..992eef58eb7a6456dc152d52bf4153f9eb416a7e 100644
--- a/Core/Shapes/IShape.h
+++ b/Core/Shapes/IShape.h
@@ -45,12 +45,6 @@ protected:
//! Generate vertices of centered rectangle at height z
std::vector<kvector_t> RectangleVertices(double length, double width, double z);
-//! Generate vertices of centered regular triangle with vertex on x-axis at height z
-std::vector<kvector_t> TriangleVertices(double length, double z);
-
-//! Generate vertices of centered regular hexagon with vertex on x-axis at height z
-std::vector<kvector_t> HexagonVertices(double length, double z);
-
//! Generate vertices of centered ellipse with given semi-axes at height z
std::vector<kvector_t> EllipseVertices(double r_x, double r_y, double z);
diff --git a/Core/Shapes/Icosahedron.cpp b/Core/Shapes/Icosahedron.cpp
deleted file mode 100644
index 3498ca8e23f22f54ade679ad7df967b2735a7c34..0000000000000000000000000000000000000000
--- a/Core/Shapes/Icosahedron.cpp
+++ /dev/null
@@ -1,38 +0,0 @@
-// ************************************************************************** //
-//
-// BornAgain: simulate and fit scattering at grazing incidence
-//
-//! @file Core/Shapes/Icosahedron.cpp
-//! @brief Implements class Icosahedron.
-//!
-//! @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 "Icosahedron.h"
-
-Icosahedron::Icosahedron(double edge)
-{
- // key parameters used for the calculation of vertices:
- // 1. dihedral angle = arccos(-sqrt(5)/3)
- // 2. radius of inscribed sphere = sqrt(3)/12*(3+sqrt(5))*edge
-
- m_vertices = {
- {-0.57735026918962573 * edge, 0.0 * edge, 0.0},
- {0.28867513459481281 * edge, 0.5 * edge, 0.0},
- {0.28867513459481281 * edge, -0.5 * edge, 0.0},
- {0.93417235896271578 * edge, 0.0 * edge, 0.57735026918962562 * edge},
- {-0.46708617948135783 * edge, 0.80901699437494756 * edge, 0.57735026918962562 * edge},
- {-0.46708617948135783 * edge, -0.80901699437494756 * edge, 0.57735026918962562 * edge},
- {-0.93417235896271578 * edge, 0.0 * edge, 0.93417235896271589 * edge},
- {0.46708617948135783 * edge, 0.80901699437494756 * edge, 0.93417235896271589 * edge},
- {0.46708617948135783 * edge, -0.80901699437494756 * edge, 0.93417235896271589 * edge},
- {0.57735026918962573 * edge, 0.0 * edge, 1.5115226281523415 * edge},
- {-0.28867513459481281 * edge, 0.5 * edge, 1.5115226281523415 * edge},
- {-0.28867513459481281 * edge, -0.5 * edge, 1.5115226281523415 * edge}};
-}
-
-Icosahedron::~Icosahedron() {}
diff --git a/Core/Shapes/Icosahedron.h b/Core/Shapes/Icosahedron.h
deleted file mode 100644
index fb3d9a21b468cd566e8ae14b6355e23f406a0b93..0000000000000000000000000000000000000000
--- a/Core/Shapes/Icosahedron.h
+++ /dev/null
@@ -1,27 +0,0 @@
-// ************************************************************************** //
-//
-// BornAgain: simulate and fit scattering at grazing incidence
-//
-//! @file Core/Shapes/Icosahedron.h
-//! @brief Defines class Icosahedron.
-//!
-//! @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 ICOSAHEDRON_H
-#define ICOSAHEDRON_H
-
-#include "IShape.h"
-
-class Icosahedron : public IShape
-{
-public:
- Icosahedron(double edge);
- ~Icosahedron();
-};
-
-#endif // ICOSAHEDRON_H
diff --git a/Core/Shapes/Pyramid3.cpp b/Core/Shapes/Pyramid3.cpp
deleted file mode 100644
index 22830871b7dc78f9aa66d6d4aaf6cb2284d790f4..0000000000000000000000000000000000000000
--- a/Core/Shapes/Pyramid3.cpp
+++ /dev/null
@@ -1,33 +0,0 @@
-// ************************************************************************** //
-//
-// BornAgain: simulate and fit scattering at grazing incidence
-//
-//! @file Core/Shapes/Pyramid3.cpp
-//! @brief Implements class Pyramid3.
-//!
-//! @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 "Pyramid3.h"
-#include "MathFunctions.h"
-
-#include <algorithm>
-
-const double Pyramid3::sqrt3 = std::sqrt(3.0);
-
-Pyramid3::Pyramid3(double length, double height, double alpha)
-{
- m_vertices.resize(6);
- double cot_alpha = MathFunctions::cot(alpha);
- double delta = 2.0 * sqrt3 * height * cot_alpha;
- auto bottom_face = TriangleVertices(length, 0.0);
- auto top_face = TriangleVertices(length - delta, height);
- std::move(bottom_face.begin(), bottom_face.end(), m_vertices.begin());
- std::move(top_face.begin(), top_face.end(), m_vertices.begin() + 3);
-}
-
-Pyramid3::~Pyramid3() {}
diff --git a/Core/Shapes/Pyramid3.h b/Core/Shapes/Pyramid3.h
deleted file mode 100644
index 4b997e681e6d7f686cf316ef1c1579dc1857110e..0000000000000000000000000000000000000000
--- a/Core/Shapes/Pyramid3.h
+++ /dev/null
@@ -1,30 +0,0 @@
-// ************************************************************************** //
-//
-// BornAgain: simulate and fit scattering at grazing incidence
-//
-//! @file Core/Shapes/Pyramid3.h
-//! @brief Defines class Pyramid3.
-//!
-//! @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 PYRAMID3_H
-#define PYRAMID3_H
-
-#include "IShape.h"
-
-class Pyramid3 : public IShape
-{
-public:
- Pyramid3(double length, double height, double alpha);
- ~Pyramid3();
-
-private:
- static const double sqrt3;
-};
-
-#endif // PYRAMID3_H
diff --git a/Core/Shapes/Pyramid6.cpp b/Core/Shapes/Pyramid6.cpp
deleted file mode 100644
index de10099847c7d85b25b2e14aab44765ea9ef8a96..0000000000000000000000000000000000000000
--- a/Core/Shapes/Pyramid6.cpp
+++ /dev/null
@@ -1,33 +0,0 @@
-// ************************************************************************** //
-//
-// BornAgain: simulate and fit scattering at grazing incidence
-//
-//! @file Core/Shapes/Pyramid6.cpp
-//! @brief Implements class Pyramid6.
-//!
-//! @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 "Pyramid6.h"
-#include "MathFunctions.h"
-
-#include <algorithm>
-
-const double Pyramid6::sqrt3 = std::sqrt(3.0);
-
-Pyramid6::Pyramid6(double length, double height, double alpha)
-{
- m_vertices.resize(12);
- double cot_alpha = MathFunctions::cot(alpha);
- double delta = height * cot_alpha;
- auto bottom_face = HexagonVertices(length, 0.0);
- auto top_face = HexagonVertices(length - delta, height);
- std::move(bottom_face.begin(), bottom_face.end(), m_vertices.begin());
- std::move(top_face.begin(), top_face.end(), m_vertices.begin() + 6);
-}
-
-Pyramid6::~Pyramid6() {}
diff --git a/Core/Shapes/Pyramid6.h b/Core/Shapes/Pyramid6.h
deleted file mode 100644
index 7fe6e3d3faf1a7847b20b1e3fcdfaa202a6a8093..0000000000000000000000000000000000000000
--- a/Core/Shapes/Pyramid6.h
+++ /dev/null
@@ -1,30 +0,0 @@
-// ************************************************************************** //
-//
-// BornAgain: simulate and fit scattering at grazing incidence
-//
-//! @file Core/Shapes/Pyramid6.h
-//! @brief Defines class Pyramid6.
-//!
-//! @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 PYRAMID6_H
-#define PYRAMID6_H
-
-#include "IShape.h"
-
-class Pyramid6 : public IShape
-{
-public:
- Pyramid6(double length, double height, double alpha);
- ~Pyramid6();
-
-private:
- static const double sqrt3;
-};
-
-#endif // PYRAMID6_H
diff --git a/Core/Shapes/Triangle.cpp b/Core/Shapes/Triangle.cpp
deleted file mode 100644
index 260b228c9aea49f7a5299d5dae3da89ffabe994e..0000000000000000000000000000000000000000
--- a/Core/Shapes/Triangle.cpp
+++ /dev/null
@@ -1,22 +0,0 @@
-// ************************************************************************** //
-//
-// BornAgain: simulate and fit scattering at grazing incidence
-//
-//! @file Core/Shapes/Triangle.cpp
-//! @brief Implements class Triangle.
-//!
-//! @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 "Triangle.h"
-
-Triangle::Triangle(double length, double z)
-{
- m_vertices = TriangleVertices(length, z);
-}
-
-Triangle::~Triangle() {}
diff --git a/Core/Shapes/Triangle.h b/Core/Shapes/Triangle.h
deleted file mode 100644
index 7f2a9209380fb9443ee0c88e1445031196a2d354..0000000000000000000000000000000000000000
--- a/Core/Shapes/Triangle.h
+++ /dev/null
@@ -1,27 +0,0 @@
-// ************************************************************************** //
-//
-// BornAgain: simulate and fit scattering at grazing incidence
-//
-//! @file Core/Shapes/Triangle.h
-//! @brief Defines class Triangle.
-//!
-//! @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 TRIANGLE_H
-#define TRIANGLE_H
-
-#include "IShape.h"
-
-class Triangle : public IShape
-{
-public:
- Triangle(double length, double z);
- ~Triangle();
-};
-
-#endif // TRIANGLE_H
diff --git a/Core/Shapes/TruncatedCube.cpp b/Core/Shapes/TruncatedCube.cpp
deleted file mode 100644
index 622b1b268c47ccd5a8d01cd897f2f972ec734a36..0000000000000000000000000000000000000000
--- a/Core/Shapes/TruncatedCube.cpp
+++ /dev/null
@@ -1,31 +0,0 @@
-// ************************************************************************** //
-//
-// BornAgain: simulate and fit scattering at grazing incidence
-//
-//! @file Core/Shapes/TruncatedCube.cpp
-//! @brief Implements class TruncatedCube.
-//!
-//! @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 "TruncatedCube.h"
-
-TruncatedCube::TruncatedCube(double length, double removed_length)
-{
- double L2 = length / 2.0;
- double t = removed_length;
- m_vertices = {{-L2 + t, -L2, 0.0}, {-L2, -L2 + t, 0.0}, {-L2, -L2, t},
- {L2 - t, -L2, 0.0}, {L2, -L2 + t, 0.0}, {L2, -L2, t},
- {-L2 + t, L2, 0.0}, {-L2, L2 - t, 0.0}, {-L2, L2, t},
- {L2 - t, L2, 0.0}, {L2, L2 - t, 0.0}, {L2, L2, t},
- {-L2 + t, -L2, length}, {-L2, -L2 + t, length}, {-L2, -L2, length - t},
- {L2 - t, -L2, length}, {L2, -L2 + t, length}, {L2, -L2, length - t},
- {-L2 + t, L2, length}, {-L2, L2 - t, length}, {-L2, L2, length - t},
- {L2 - t, L2, length}, {L2, L2 - t, length}, {L2, L2, length - t}};
-}
-
-TruncatedCube::~TruncatedCube() {}
diff --git a/Core/Shapes/TruncatedCube.h b/Core/Shapes/TruncatedCube.h
deleted file mode 100644
index 1bf9e3b8ff7f6000a61287348e3e0f176463369e..0000000000000000000000000000000000000000
--- a/Core/Shapes/TruncatedCube.h
+++ /dev/null
@@ -1,27 +0,0 @@
-// ************************************************************************** //
-//
-// BornAgain: simulate and fit scattering at grazing incidence
-//
-//! @file Core/Shapes/TruncatedCube.h
-//! @brief Defines class TruncatedCube.
-//!
-//! @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 TRUNCATEDCUBE_H
-#define TRUNCATEDCUBE_H
-
-#include "IShape.h"
-
-class TruncatedCube : public IShape
-{
-public:
- TruncatedCube(double length, double removed_length);
- ~TruncatedCube();
-};
-
-#endif // TRUNCATEDCUBE_H
diff --git a/Core/Vector/Transform3D.cpp b/Core/Vector/Transform3D.cpp
index f400dd6867e637a8ad1938f7013dd7040ae40019..265914d173b3013e52f9f7cd0b00bfa50f6190d2 100644
--- a/Core/Vector/Transform3D.cpp
+++ b/Core/Vector/Transform3D.cpp
@@ -222,29 +222,3 @@ bool Transform3D::isZRotation() const
return false;
return true;
}
-
-double BottomZ(const std::vector<kvector_t>& vertices, const Transform3D& rotation)
-{
- if (vertices.size() == 0)
- throw std::runtime_error("BottomZ() error: no vertices passed!");
- kvector_t vertex_rot = rotation.transformed(vertices[0]);
- double zmin = vertex_rot.z();
- for (size_t index = 1; index < vertices.size(); ++index) {
- vertex_rot = rotation.transformed(vertices[index]);
- zmin = std::min(zmin, vertex_rot.z());
- }
- return zmin;
-}
-
-double TopZ(const std::vector<kvector_t>& vertices, const Transform3D& rotation)
-{
- if (vertices.size() == 0)
- throw std::runtime_error("TopZ() error: no vertices passed!");
- kvector_t vertex_rot = rotation.transformed(vertices[0]);
- double zmax = vertex_rot.z();
- for (size_t index = 1; index < vertices.size(); ++index) {
- vertex_rot = rotation.transformed(vertices[index]);
- zmax = std::max(zmax, vertex_rot.z());
- }
- return zmax;
-}
diff --git a/Core/Vector/Transform3D.h b/Core/Vector/Transform3D.h
index 3c26aa77165ea72b16c6a40fecd05409bad6dd3b..35b8c93378f6a576177c858528f511649cfc078b 100644
--- a/Core/Vector/Transform3D.h
+++ b/Core/Vector/Transform3D.h
@@ -113,10 +113,4 @@ private:
#endif
};
-//! Calculates the z-coordinate of the lowest vertex after rotation
-double BottomZ(const std::vector<kvector_t>& vertices, const Transform3D& rotation);
-
-//! Calculates the z-coordinate of the highest vertex after rotation
-double TopZ(const std::vector<kvector_t>& vertices, const Transform3D& rotation);
-
#endif // TRANSFORM3D_H
diff --git a/Tests/UnitTests/Core/Basics/MinMaxValueTest.cpp b/Tests/UnitTests/Core/Basics/MinMaxValueTest.cpp
new file mode 100644
index 0000000000000000000000000000000000000000..4cc4591e8d71e724666a51eba639aae1a7939d73
--- /dev/null
+++ b/Tests/UnitTests/Core/Basics/MinMaxValueTest.cpp
@@ -0,0 +1,32 @@
+#include "Algorithms.h"
+#include "google_test.h"
+#include <cmath>
+
+class MinMaxValueTest : public ::testing::Test
+{
+};
+
+TEST_F(MinMaxValueTest, MinMaxValueAlmostEq)
+{
+ double val;
+ std::vector<double> A{0.};
+ std::vector<int> C {1, 2, 3};
+
+ val = algo::min_value(A.begin(), A.end(), [](const double& x)->double { return x; });
+ EXPECT_EQ(val, 0.);
+ val = algo::max_value(A.begin(), A.end(), [](const double& x)->double { return 2+x; });
+ EXPECT_NEAR(val, 2., 1e-15);
+
+ val = algo::min_value(C.begin(), C.end(), [](const int& i)->double { return i; });
+ EXPECT_EQ(val, 1);
+ val = algo::min_value(C.begin(), C.end(), [](const int& i)->double { return -i; });
+ EXPECT_EQ(val, -3);
+ val = algo::min_value(C.begin(), C.end(), [](const int& i)->double { return pow(i-2.1,2); });
+ EXPECT_NEAR(val, 0.01, 1e-13);
+ val = algo::max_value(C.begin(), C.end(), [](const int& i)->double { return i; });
+ EXPECT_EQ(val, 3);
+ val = algo::max_value(C.begin(), C.end(), [](const int& i)->double { return -i; });
+ EXPECT_EQ(val, -1);
+ val = algo::max_value(C.begin(), C.end(), [](const int& i)->double { return -pow(i-2.1,2); });
+ EXPECT_NEAR(val, -0.01, 1e-13);
+}
diff --git a/Tests/UnitTests/Core/Sample/FormFactorBasicTest.cpp b/Tests/UnitTests/Core/Sample/FormFactorBasicTest.cpp
index e0dfbab5dfefeeb0b7dae1f70eb23c10939d6b9e..ab165ce172baeabf2755fa9fb2f13833aadb4d60 100644
--- a/Tests/UnitTests/Core/Sample/FormFactorBasicTest.cpp
+++ b/Tests/UnitTests/Core/Sample/FormFactorBasicTest.cpp
@@ -2,6 +2,8 @@
#include "HardParticles.h"
#include "IFormFactorBorn.h"
#include "MathConstants.h"
+#include "Rotations.h"
+#include "Units.h"
#include "google_test.h"
class FormFactorBasicTest : public ::testing::Test
@@ -75,35 +77,37 @@ TEST_F(FormFactorBasicTest, AnisoPyramid)
* (length * width - (length + width) * height / tga
+ 4.0 / 3.0 * height * height / (tga * tga));
- FormFactorAnisoPyramid anisopyramid(length, width, height, alpha);
+ FormFactorAnisoPyramid particle(length, width, height, alpha);
- EXPECT_EQ(BornAgain::FFAnisoPyramidType, anisopyramid.getName());
- EXPECT_DOUBLE_EQ(volume, anisopyramid.volume());
- EXPECT_EQ(12., anisopyramid.getLength());
- EXPECT_EQ(14., anisopyramid.getWidth());
- EXPECT_EQ(5., anisopyramid.getHeight());
- EXPECT_EQ(0.8, anisopyramid.getAlpha());
+ EXPECT_EQ(BornAgain::FFAnisoPyramidType, particle.getName());
+ EXPECT_DOUBLE_EQ(volume, particle.volume());
+ EXPECT_EQ(length, particle.getLength());
+ EXPECT_EQ(width, particle.getWidth());
+ EXPECT_EQ(height, particle.getHeight());
+ EXPECT_EQ(alpha, particle.getAlpha());
+ EXPECT_EQ(0., particle.bottomZ(RotationZ()));
+ EXPECT_EQ(height, particle.topZ(RotationZ()));
- test_ff(&anisopyramid);
+ test_ff(&particle);
}
TEST_F(FormFactorBasicTest, HemiEllipsoid)
{
- double radius_a = 6.;
- double radius_b = 7.;
+ double radiusx = 6.;
+ double radiusy = 7.;
double height = 5.;
- double volume = M_TWOPI * radius_a * radius_b * height / 3.;
+ double volume = M_TWOPI * radiusx * radiusy * height / 3.;
- FormFactorHemiEllipsoid hemiellipsoid(radius_a, radius_b, height);
+ FormFactorHemiEllipsoid particle(radiusx, radiusy, height);
- EXPECT_EQ(BornAgain::FFHemiEllipsoidType, hemiellipsoid.getName());
- EXPECT_EQ(6., hemiellipsoid.getRadiusX());
- EXPECT_EQ(7., hemiellipsoid.getRadiusY());
- EXPECT_EQ(5., hemiellipsoid.getHeight());
- EXPECT_DOUBLE_EQ(volume, hemiellipsoid.volume());
+ EXPECT_EQ(BornAgain::FFHemiEllipsoidType, particle.getName());
+ EXPECT_EQ(radiusx, particle.getRadiusX());
+ EXPECT_EQ(radiusy, particle.getRadiusY());
+ EXPECT_EQ(height, particle.getHeight());
+ EXPECT_DOUBLE_EQ(volume, particle.volume());
- test_ff(&hemiellipsoid);
+ test_ff(&particle);
}
TEST_F(FormFactorBasicTest, Box)
@@ -113,15 +117,24 @@ TEST_F(FormFactorBasicTest, Box)
double width = 7.;
double volume = length * height * width;
- FormFactorBox box(length, width, height);
+ FormFactorBox particle(length, width, height);
- EXPECT_EQ(BornAgain::FFBoxType, box.getName());
- EXPECT_EQ(7., box.getWidth());
- EXPECT_EQ(5., box.getHeight());
- EXPECT_EQ(3., box.radialExtension());
- EXPECT_DOUBLE_EQ(volume, box.volume());
+ EXPECT_EQ(BornAgain::FFBoxType, particle.getName());
+ EXPECT_EQ(width, particle.getWidth());
+ EXPECT_EQ(height, particle.getHeight());
+ EXPECT_EQ(3., particle.radialExtension());
+ EXPECT_DOUBLE_EQ(volume, particle.volume());
- test_ff(&box);
+ EXPECT_EQ(0., particle.bottomZ(RotationZ()));
+ EXPECT_EQ(height, particle.topZ(RotationZ()));
+
+ EXPECT_EQ(0., particle.bottomZ(RotationZ(17*Units::degree)));
+ EXPECT_EQ(height, particle.topZ(RotationZ(39*Units::degree)));
+
+ EXPECT_NEAR(-width/2, particle.bottomZ(RotationX(90*Units::degree)), 1e-12);
+ EXPECT_NEAR(-length/2, particle.bottomZ(RotationY(90*Units::degree)), 1e-12);
+
+ test_ff(&particle);
}
TEST_F(FormFactorBasicTest, Cone)
@@ -134,15 +147,17 @@ TEST_F(FormFactorBasicTest, Cone)
double volume = M_PI / 3. * tga * radius * radius * radius
* (1. - (1. - HdivRtga) * (1. - HdivRtga) * (1. - HdivRtga));
- FormFactorCone cone(radius, height, alpha);
+ FormFactorCone particle(radius, height, alpha);
- EXPECT_EQ(BornAgain::FFConeType, cone.getName());
- EXPECT_EQ(6., cone.getRadius());
- EXPECT_EQ(5., cone.getHeight());
- EXPECT_EQ(0.8, cone.getAlpha());
- EXPECT_DOUBLE_EQ(volume, cone.volume());
+ EXPECT_EQ(BornAgain::FFConeType, particle.getName());
+ EXPECT_EQ(radius, particle.getRadius());
+ EXPECT_EQ(height, particle.getHeight());
+ EXPECT_EQ(alpha, particle.getAlpha());
+ EXPECT_DOUBLE_EQ(volume, particle.volume());
+ EXPECT_EQ(0., particle.bottomZ(RotationZ()));
+ EXPECT_EQ(height, particle.topZ(RotationZ()));
- test_ff(&cone);
+ test_ff(&particle);
}
TEST_F(FormFactorBasicTest, Cone6)
@@ -155,22 +170,22 @@ TEST_F(FormFactorBasicTest, Cone6)
double volume = 3. / 4. * tga * base_edge * base_edge * base_edge
* (1. - (1. - HdivRtga) * (1. - HdivRtga) * (1. - HdivRtga));
- FormFactorCone6 cone6(base_edge, height, alpha);
+ FormFactorCone6 particle(base_edge, height, alpha);
- EXPECT_EQ(BornAgain::FFCone6Type, cone6.getName());
- EXPECT_EQ(6., cone6.getBaseEdge());
- EXPECT_EQ(5., cone6.getHeight());
- EXPECT_EQ(0.8, cone6.getAlpha());
- EXPECT_DOUBLE_EQ(volume, cone6.volume());
+ EXPECT_EQ(BornAgain::FFCone6Type, particle.getName());
+ EXPECT_EQ(base_edge, particle.getBaseEdge());
+ EXPECT_EQ(height, particle.getHeight());
+ EXPECT_EQ(alpha, particle.getAlpha());
+ EXPECT_DOUBLE_EQ(volume, particle.volume());
- test_ff(&cone6);
+ test_ff(&particle);
}
TEST_F(FormFactorBasicTest, Cuboctahedron)
{
double length = 10.;
double height = 4;
- double height_ratio = 1.;
+ double height_ratio = .7;
double alpha = 0.8;
double tga = std::tan(alpha);
@@ -180,16 +195,18 @@ TEST_F(FormFactorBasicTest, Cuboctahedron)
* (2. - (1. - H2divLtga) * (1. - H2divLtga) * (1. - H2divLtga)
- (1. - ratioH2divLtga) * (1. - ratioH2divLtga) * (1. - ratioH2divLtga));
- FormFactorCuboctahedron cuboctahedron(length, height, height_ratio, alpha);
+ FormFactorCuboctahedron particle(length, height, height_ratio, alpha);
- EXPECT_EQ(BornAgain::FFCuboctahedronType, cuboctahedron.getName());
- EXPECT_EQ(4., cuboctahedron.getHeight());
- EXPECT_EQ(10., cuboctahedron.getLength());
- EXPECT_EQ(1., cuboctahedron.getHeightRatio());
- EXPECT_EQ(0.8, cuboctahedron.getAlpha());
- EXPECT_DOUBLE_EQ(volume, cuboctahedron.volume());
+ EXPECT_EQ(BornAgain::FFCuboctahedronType, particle.getName());
+ EXPECT_EQ(height, particle.getHeight());
+ EXPECT_EQ(length, particle.getLength());
+ EXPECT_EQ(height_ratio, particle.getHeightRatio());
+ EXPECT_EQ(alpha, particle.getAlpha());
+ EXPECT_DOUBLE_EQ(volume, particle.volume());
+ EXPECT_EQ(0., particle.bottomZ(RotationZ()));
+ EXPECT_EQ(height*(1+height_ratio), particle.topZ(RotationZ()));
- test_ff(&cuboctahedron);
+ test_ff(&particle);
}
TEST_F(FormFactorBasicTest, Cylinder)
@@ -198,14 +215,31 @@ TEST_F(FormFactorBasicTest, Cylinder)
double height = 5.;
double volume = M_PI * radius * radius * height;
- FormFactorCylinder cylinder(radius, height);
+ FormFactorCylinder particle(radius, height);
+
+ EXPECT_EQ(BornAgain::FFCylinderType, particle.getName());
+ EXPECT_EQ(height, particle.getHeight());
+ EXPECT_EQ(radius, particle.getRadius());
+ EXPECT_DOUBLE_EQ(volume, particle.volume());
+
+ EXPECT_EQ(0., particle.bottomZ(RotationZ()));
+ EXPECT_EQ(height, particle.topZ(RotationZ()));
- EXPECT_EQ(BornAgain::FFCylinderType, cylinder.getName());
- EXPECT_EQ(5., cylinder.getHeight());
- EXPECT_EQ(3., cylinder.getRadius());
- EXPECT_DOUBLE_EQ(volume, cylinder.volume());
+ EXPECT_NEAR(-radius, particle.bottomZ(RotationX(90*Units::degree)), 1e-13);
+ EXPECT_NEAR(+radius, particle.topZ (RotationX(90*Units::degree)), 1e-13);
+ EXPECT_NEAR(-radius, particle.bottomZ(RotationY(90*Units::degree)), 1e-13);
+ EXPECT_NEAR(+radius, particle.topZ (RotationY(90*Units::degree)), 1e-13);
- test_ff(&cylinder);
+ EXPECT_NEAR(-height, particle.bottomZ(RotationY(180*Units::degree)), 1e-13);
+ EXPECT_NEAR(0, particle.topZ (RotationY(180*Units::degree)), 1e-13);
+
+ for (double gamma: { 1.123, -2.34, 7.5, -9. })
+ // 7.5deg is worst case for 24-vertex circle
+ EXPECT_NEAR(-radius, particle.bottomZ(
+ RotationEuler(0, 90*Units::degree, gamma*Units::degree)),
+ 3e-2); // TODO decrease epsilon after replacement of vertex-based approximation
+
+ test_ff(&particle);
}
TEST_F(FormFactorBasicTest, Dodecahedron)
@@ -213,30 +247,35 @@ TEST_F(FormFactorBasicTest, Dodecahedron)
double edge = 3.;
double volume = (15 + 7 * sqrt(5)) / 4 * pow(edge, 3);
- FormFactorDodecahedron dodecahedron(edge);
- EXPECT_EQ(BornAgain::FFDodecahedronType, dodecahedron.getName());
- EXPECT_EQ(edge, dodecahedron.getEdge());
- EXPECT_DOUBLE_EQ(volume, dodecahedron.volume());
+ FormFactorDodecahedron particle(edge);
+ EXPECT_EQ(BornAgain::FFDodecahedronType, particle.getName());
+ EXPECT_EQ(edge, particle.getEdge());
+ EXPECT_DOUBLE_EQ(volume, particle.volume());
+ EXPECT_EQ(0., particle.bottomZ(RotationZ()));
+ EXPECT_NEAR(2*1.11352*edge, particle.topZ(RotationZ()), 1e-4);
+ // height=2*inradius from web ressource
- test_ff(&dodecahedron);
+ test_ff(&particle);
}
TEST_F(FormFactorBasicTest, EllipsoidalCylinder)
{
- double radius_a = 3.;
- double radius_b = 5.;
+ double radiusx = 3.;
+ double radiusy = 5.;
double height = 4;
- double volume = M_PI * radius_a * radius_b * height;
+ double volume = M_PI * radiusx * radiusy * height;
- FormFactorEllipsoidalCylinder ellipscyl(radius_a, radius_b, height);
+ FormFactorEllipsoidalCylinder particle(radiusx, radiusy, height);
- EXPECT_EQ(BornAgain::FFEllipsoidalCylinderType, ellipscyl.getName());
- EXPECT_EQ(4., ellipscyl.getHeight());
- EXPECT_EQ(3., ellipscyl.getRadiusX());
- EXPECT_EQ(5., ellipscyl.getRadiusY());
- EXPECT_DOUBLE_EQ(volume, ellipscyl.volume());
+ EXPECT_EQ(BornAgain::FFEllipsoidalCylinderType, particle.getName());
+ EXPECT_EQ(height, particle.getHeight());
+ EXPECT_EQ(radiusx, particle.getRadiusX());
+ EXPECT_EQ(radiusy, particle.getRadiusY());
+ EXPECT_DOUBLE_EQ(volume, particle.volume());
+ EXPECT_EQ(0., particle.bottomZ(RotationZ()));
+ EXPECT_EQ(height, particle.topZ(RotationZ()));
- test_ff(&ellipscyl);
+ test_ff(&particle);
}
TEST_F(FormFactorBasicTest, CantellatedCube)
@@ -245,13 +284,15 @@ TEST_F(FormFactorBasicTest, CantellatedCube)
double t = 2.; // side length of removed trirectangular tetrahedron at each vertex
double volume = L * L * L - 6 * L * t * t + 16 * t * t * t / 3;
- FormFactorCantellatedCube trcube(L, t);
+ FormFactorCantellatedCube particle(L, t);
- EXPECT_EQ(L, trcube.getLength());
- EXPECT_DOUBLE_EQ(t, trcube.getRemovedLength());
- EXPECT_DOUBLE_EQ(trcube.volume(), volume);
+ EXPECT_EQ(L, particle.getLength());
+ EXPECT_DOUBLE_EQ(t, particle.getRemovedLength());
+ EXPECT_DOUBLE_EQ(particle.volume(), volume);
+ EXPECT_EQ(0., particle.bottomZ(RotationZ()));
+ EXPECT_EQ(L, particle.topZ(RotationZ()));
- test_ff(&trcube);
+ test_ff(&particle);
}
TEST_F(FormFactorBasicTest, FullSphere)
@@ -259,12 +300,14 @@ TEST_F(FormFactorBasicTest, FullSphere)
double radius = 5.;
double volume = 4. / 3. * M_PI * radius * radius * radius;
- FormFactorFullSphere fullsphere(radius);
- EXPECT_EQ(BornAgain::FFFullSphereType, fullsphere.getName());
- EXPECT_EQ(5., fullsphere.getRadius());
- EXPECT_DOUBLE_EQ(volume, fullsphere.volume());
+ FormFactorFullSphere particle(radius);
+ EXPECT_EQ(BornAgain::FFFullSphereType, particle.getName());
+ EXPECT_EQ(radius, particle.getRadius());
+ EXPECT_DOUBLE_EQ(volume, particle.volume());
+ EXPECT_EQ(0., particle.bottomZ(RotationZ()));
+ EXPECT_EQ(2*radius, particle.topZ(RotationZ()));
- test_ff(&fullsphere);
+ test_ff(&particle);
}
TEST_F(FormFactorBasicTest, FullSpheroid)
@@ -273,14 +316,16 @@ TEST_F(FormFactorBasicTest, FullSpheroid)
double height = 5.;
double volume = 2. / 3. * M_PI * radius * radius * height;
- FormFactorFullSpheroid fullspheroid(radius, height);
+ FormFactorFullSpheroid particle(radius, height);
- EXPECT_EQ(BornAgain::FFFullSpheroidType, fullspheroid.getName());
- EXPECT_EQ(3., fullspheroid.getRadius());
- EXPECT_EQ(5., fullspheroid.getHeight());
- EXPECT_DOUBLE_EQ(volume, fullspheroid.volume());
+ EXPECT_EQ(BornAgain::FFFullSpheroidType, particle.getName());
+ EXPECT_EQ(radius, particle.getRadius());
+ EXPECT_EQ(height, particle.getHeight());
+ EXPECT_DOUBLE_EQ(volume, particle.volume());
+ EXPECT_EQ(0., particle.bottomZ(RotationZ()));
+ EXPECT_EQ(height, particle.topZ(RotationZ()));
- test_ff(&fullspheroid);
+ test_ff(&particle);
}
TEST_F(FormFactorBasicTest, Icosahedron)
@@ -288,13 +333,16 @@ TEST_F(FormFactorBasicTest, Icosahedron)
double edge = 7.;
double volume = 5 * (3 + sqrt(5)) / 12 * pow(edge, 3);
- FormFactorIcosahedron icosahedron(edge);
+ FormFactorIcosahedron particle(edge);
- EXPECT_EQ(BornAgain::FFIcosahedronType, icosahedron.getName());
- EXPECT_EQ(edge, icosahedron.getEdge());
- EXPECT_DOUBLE_EQ(volume, icosahedron.volume());
+ EXPECT_EQ(BornAgain::FFIcosahedronType, particle.getName());
+ EXPECT_EQ(edge, particle.getEdge());
+ EXPECT_DOUBLE_EQ(volume, particle.volume());
+ EXPECT_EQ(0., particle.bottomZ(RotationZ()));
+ EXPECT_NEAR(2*0.755761*edge, particle.topZ(RotationZ()), 1e-4);
+ // height=2*inradius from web ressource
- test_ff(&icosahedron);
+ test_ff(&particle);
}
TEST_F(FormFactorBasicTest, Prism3)
@@ -303,14 +351,16 @@ TEST_F(FormFactorBasicTest, Prism3)
double base_edge = 6.;
double volume = sqrt(3.) / 4. * height * base_edge * base_edge;
- FormFactorPrism3 prism3(base_edge, height);
+ FormFactorPrism3 particle(base_edge, height);
- EXPECT_EQ(BornAgain::FFPrism3Type, prism3.getName());
- EXPECT_EQ(4., prism3.getHeight());
- EXPECT_EQ(6., prism3.getBaseEdge());
- EXPECT_DOUBLE_EQ(volume, prism3.volume());
+ EXPECT_EQ(BornAgain::FFPrism3Type, particle.getName());
+ EXPECT_EQ(height, particle.getHeight());
+ EXPECT_EQ(base_edge, particle.getBaseEdge());
+ EXPECT_DOUBLE_EQ(volume, particle.volume());
+ EXPECT_EQ(0., particle.bottomZ(RotationZ()));
+ EXPECT_EQ(height, particle.topZ(RotationZ()));
- test_ff(&prism3);
+ test_ff(&particle);
}
TEST_F(FormFactorBasicTest, Prism6)
@@ -319,35 +369,39 @@ TEST_F(FormFactorBasicTest, Prism6)
double base_edge = 3.;
double volume = 3. * sqrt(3.) / 2. * height * base_edge * base_edge;
- FormFactorPrism6 prism6(base_edge, height);
+ FormFactorPrism6 particle(base_edge, height);
- EXPECT_EQ(BornAgain::FFPrism6Type, prism6.getName());
- EXPECT_EQ(4., prism6.getHeight());
- EXPECT_EQ(3., prism6.getBaseEdge());
- EXPECT_DOUBLE_EQ(volume, prism6.volume());
+ EXPECT_EQ(BornAgain::FFPrism6Type, particle.getName());
+ EXPECT_EQ(height, particle.getHeight());
+ EXPECT_EQ(base_edge, particle.getBaseEdge());
+ EXPECT_DOUBLE_EQ(volume, particle.volume());
+ EXPECT_EQ(0., particle.bottomZ(RotationZ()));
+ EXPECT_EQ(height, particle.topZ(RotationZ()));
- test_ff(&prism6);
+ test_ff(&particle);
}
TEST_F(FormFactorBasicTest, Pyramid)
{
double height = 4.;
- double length = 10.;
+ double base_edge = 10.;
double alpha = 0.8;
double tga = std::tan(alpha);
- double H2divLtga = height * 2. / length / tga;
- double volume = 1. / 6. * tga * length * length * length
+ double H2divLtga = height * 2. / base_edge / tga;
+ double volume = 1. / 6. * tga * base_edge * base_edge * base_edge
* (1. - (1. - H2divLtga) * (1. - H2divLtga) * (1. - H2divLtga));
- FormFactorPyramid pyramid(length, height, alpha);
+ FormFactorPyramid particle(base_edge, height, alpha);
- EXPECT_EQ(BornAgain::FFPyramidType, pyramid.getName());
- EXPECT_EQ(4., pyramid.getHeight());
- EXPECT_EQ(10., pyramid.getBaseEdge());
- EXPECT_EQ(0.8, pyramid.getAlpha());
- EXPECT_DOUBLE_EQ(volume, pyramid.volume());
+ EXPECT_EQ(BornAgain::FFPyramidType, particle.getName());
+ EXPECT_EQ(height, particle.getHeight());
+ EXPECT_EQ(base_edge, particle.getBaseEdge());
+ EXPECT_EQ(alpha, particle.getAlpha());
+ EXPECT_DOUBLE_EQ(volume, particle.volume());
+ EXPECT_EQ(0., particle.bottomZ(RotationZ()));
+ EXPECT_EQ(height, particle.topZ(RotationZ()));
- test_ff(&pyramid);
+ test_ff(&particle);
}
TEST_F(FormFactorBasicTest, TruncatedSphere)
@@ -358,13 +412,15 @@ TEST_F(FormFactorBasicTest, TruncatedSphere)
double volume = M_PI / 3. * radius * radius * radius
* (3. * HdivR - 1. - (HdivR - 1.) * (HdivR - 1.) * (HdivR - 1.));
- FormFactorTruncatedSphere trsphere(radius, height);
+ FormFactorTruncatedSphere particle(radius, height);
- EXPECT_EQ(BornAgain::FFTruncatedSphereType, trsphere.getName());
- EXPECT_EQ(3., trsphere.getHeight());
- EXPECT_DOUBLE_EQ(volume, trsphere.volume());
+ EXPECT_EQ(BornAgain::FFTruncatedSphereType, particle.getName());
+ EXPECT_EQ(height, particle.getHeight());
+ EXPECT_DOUBLE_EQ(volume, particle.volume());
+ EXPECT_EQ(0., particle.bottomZ(RotationZ()));
+ EXPECT_EQ(height, particle.topZ(RotationZ()));
- test_ff(&trsphere);
+ test_ff(&particle);
}
TEST_F(FormFactorBasicTest, TruncatedSpheroid)
@@ -375,14 +431,16 @@ TEST_F(FormFactorBasicTest, TruncatedSpheroid)
double volume =
M_PI * radius * height * height / flattening * (1. - height / (3. * flattening * radius));
- FormFactorTruncatedSpheroid trspheroid(radius, height, flattening);
+ FormFactorTruncatedSpheroid particle(radius, height, flattening);
- EXPECT_EQ(BornAgain::FFTruncatedSpheroidType, trspheroid.getName());
- EXPECT_EQ(5., trspheroid.getHeight());
- EXPECT_EQ(3., trspheroid.getRadius());
- EXPECT_DOUBLE_EQ(volume, trspheroid.volume());
+ EXPECT_EQ(BornAgain::FFTruncatedSpheroidType, particle.getName());
+ EXPECT_EQ(height, particle.getHeight());
+ EXPECT_EQ(radius, particle.getRadius());
+ EXPECT_DOUBLE_EQ(volume, particle.volume());
+ EXPECT_EQ(0., particle.bottomZ(RotationZ()));
+ EXPECT_EQ(height, particle.topZ(RotationZ()));
- test_ff(&trspheroid);
+ test_ff(&particle);
}
TEST_F(FormFactorBasicTest, Tetrahedron)
@@ -395,15 +453,15 @@ TEST_F(FormFactorBasicTest, Tetrahedron)
double volume = tga / 24. * base_edge * base_edge * base_edge
* (1. - (1. - sqrt3H2divLtga) * (1. - sqrt3H2divLtga) * (1. - sqrt3H2divLtga));
- FormFactorTetrahedron tetrahedron(base_edge, height, alpha);
+ FormFactorTetrahedron particle(base_edge, height, alpha);
- EXPECT_EQ(BornAgain::FFTetrahedronType, tetrahedron.getName());
- EXPECT_EQ(4., tetrahedron.getHeight());
- EXPECT_EQ(16., tetrahedron.getBaseEdge());
- EXPECT_EQ(0.8, tetrahedron.getAlpha());
- EXPECT_DOUBLE_EQ(volume, tetrahedron.volume());
+ EXPECT_EQ(BornAgain::FFTetrahedronType, particle.getName());
+ EXPECT_EQ(height, particle.getHeight());
+ EXPECT_EQ(base_edge, particle.getBaseEdge());
+ EXPECT_EQ(alpha, particle.getAlpha());
+ EXPECT_DOUBLE_EQ(volume, particle.volume());
- test_ff(&tetrahedron);
+ test_ff(&particle);
}
TEST_F(FormFactorBasicTest, Ripple1Box)
@@ -413,15 +471,17 @@ TEST_F(FormFactorBasicTest, Ripple1Box)
double length = 100.0;
double volume = 0.5 * height * width * length;
- FormFactorRipple1Box ripple1(length, width, height);
+ FormFactorRipple1Box particle(length, width, height);
- EXPECT_EQ(BornAgain::FFRipple1BoxType, ripple1.getName());
- EXPECT_EQ(4., ripple1.getHeight());
- EXPECT_EQ(20., ripple1.getWidth());
- EXPECT_EQ(100., ripple1.getLength());
- EXPECT_DOUBLE_EQ(volume, ripple1.volume());
+ EXPECT_EQ(BornAgain::FFRipple1BoxType, particle.getName());
+ EXPECT_EQ(height, particle.getHeight());
+ EXPECT_EQ(width, particle.getWidth());
+ EXPECT_EQ(length, particle.getLength());
+ EXPECT_DOUBLE_EQ(volume, particle.volume());
+ EXPECT_EQ(0., particle.bottomZ(RotationZ()));
+ EXPECT_EQ(height, particle.topZ(RotationZ()));
- test_ff(&ripple1);
+ test_ff(&particle);
}
TEST_F(FormFactorBasicTest, TruncatedCube)
@@ -430,14 +490,16 @@ TEST_F(FormFactorBasicTest, TruncatedCube)
double t = 6.; // side length of removed trirectangular tetrahedron at each vertex
double volume = length * length * length - 4. / 3. * t * t * t;
- FormFactorTruncatedCube trcube(length, t);
+ FormFactorTruncatedCube particle(length, t);
- EXPECT_EQ(BornAgain::FFTruncatedCubeType, trcube.getName());
- EXPECT_EQ(length, trcube.getLength());
- EXPECT_DOUBLE_EQ(t, trcube.getRemovedLength());
- EXPECT_DOUBLE_EQ(trcube.volume(), volume);
+ EXPECT_EQ(BornAgain::FFTruncatedCubeType, particle.getName());
+ EXPECT_EQ(length, particle.getLength());
+ EXPECT_DOUBLE_EQ(t, particle.getRemovedLength());
+ EXPECT_DOUBLE_EQ(particle.volume(), volume);
+ EXPECT_EQ(0., particle.bottomZ(RotationZ()));
+ EXPECT_EQ(length, particle.topZ(RotationZ()));
- test_ff(&trcube);
+ test_ff(&particle);
}
TEST_F(FormFactorBasicTest, Ripple2Box)
@@ -448,11 +510,13 @@ TEST_F(FormFactorBasicTest, Ripple2Box)
double d = 0.3; // asymmetry
double volume = 0.5 * height * width * length;
- FormFactorRipple2Box ripple2(length, width, height, d);
+ FormFactorRipple2Box particle(length, width, height, d);
- EXPECT_EQ(BornAgain::FFRipple2BoxType, ripple2.getName());
- EXPECT_EQ(4., ripple2.getHeight());
- EXPECT_DOUBLE_EQ(volume, ripple2.volume());
+ EXPECT_EQ(BornAgain::FFRipple2BoxType, particle.getName());
+ EXPECT_EQ(height, particle.getHeight());
+ EXPECT_DOUBLE_EQ(volume, particle.volume());
+ EXPECT_EQ(0., particle.bottomZ(RotationZ()));
+ EXPECT_EQ(height, particle.topZ(RotationZ()));
- // test_ff( &ripple2 ); WAITING: restore once getRadius returns the umkreis radius
+ // test_ff( &particle ); WAITING: restore once getRadius returns the umkreis radius
}
diff --git a/auto/Wrap/doxygen_core.i b/auto/Wrap/doxygen_core.i
index a88839728280a0506ffb375e5fae725f6a775171..849be6a4216f4e301d2f276cd0f91e684aac1ea9 100644
--- a/auto/Wrap/doxygen_core.i
+++ b/auto/Wrap/doxygen_core.i
@@ -118,16 +118,6 @@ Sets angular resolution values via RangedDistribution and values of standard de
";
-// File: classAnisoPyramid.xml
-%feature("docstring") AnisoPyramid "";
-
-%feature("docstring") AnisoPyramid::AnisoPyramid "AnisoPyramid::AnisoPyramid(double length, double width, double height, double alpha)
-";
-
-%feature("docstring") AnisoPyramid::~AnisoPyramid "AnisoPyramid::~AnisoPyramid()
-";
-
-
// File: classAsymRippleBuilder.xml
%feature("docstring") AsymRippleBuilder "";
@@ -631,16 +621,6 @@ creation on Bin1DKVector from alpha and phi bins
";
-// File: classBiPyramid.xml
-%feature("docstring") BiPyramid "";
-
-%feature("docstring") BiPyramid::BiPyramid "BiPyramid::BiPyramid(double length, double height, double height_ratio, double alpha)
-";
-
-%feature("docstring") BiPyramid::~BiPyramid "BiPyramid::~BiPyramid()
-";
-
-
// File: classBox.xml
%feature("docstring") Box "";
@@ -2137,16 +2117,6 @@ Calls the INodeVisitor's visit method.
";
-// File: classDodecahedron.xml
-%feature("docstring") Dodecahedron "";
-
-%feature("docstring") Dodecahedron::Dodecahedron "Dodecahedron::Dodecahedron(double edge)
-";
-
-%feature("docstring") Dodecahedron::~Dodecahedron "Dodecahedron::~Dodecahedron()
-";
-
-
// File: classExceptions_1_1DomainErrorException.xml
%feature("docstring") Exceptions::DomainErrorException "";
@@ -2154,16 +2124,6 @@ Calls the INodeVisitor's visit method.
";
-// File: classDot.xml
-%feature("docstring") Dot "";
-
-%feature("docstring") Dot::Dot "Dot::Dot()
-";
-
-%feature("docstring") Dot::~Dot "Dot::~Dot()
-";
-
-
// File: classDoubleEllipse.xml
%feature("docstring") DoubleEllipse "";
@@ -4291,6 +4251,16 @@ C++ includes: FormFactorPolyhedron.h
%feature("docstring") FormFactorPolygonalPrism::FormFactorPolygonalPrism "FormFactorPolygonalPrism::FormFactorPolygonalPrism(double height)
";
+%feature("docstring") FormFactorPolygonalPrism::bottomZ "double FormFactorPolygonalPrism::bottomZ(const IRotation &rotation) const override final
+
+Returns the z-coordinate of the lowest point in this shape after a given rotation.
+";
+
+%feature("docstring") FormFactorPolygonalPrism::topZ "double FormFactorPolygonalPrism::topZ(const IRotation &rotation) const override final
+
+Returns the z-coordinate of the lowest point in this shape after a given rotation.
+";
+
%feature("docstring") FormFactorPolygonalPrism::evaluate_for_q "complex_t FormFactorPolygonalPrism::evaluate_for_q(cvector_t q) const override final
Returns the form factor F(q) of this polyhedron, respecting the offset height/2.
@@ -4348,9 +4318,19 @@ C++ includes: FormFactorPolyhedron.h
%feature("docstring") FormFactorPolyhedron::FormFactorPolyhedron "FormFactorPolyhedron::FormFactorPolyhedron()
";
+%feature("docstring") FormFactorPolyhedron::bottomZ "double FormFactorPolyhedron::bottomZ(const IRotation &rotation) const override final
+
+Returns the z-coordinate of the lowest point in this shape after a given rotation.
+";
+
+%feature("docstring") FormFactorPolyhedron::topZ "double FormFactorPolyhedron::topZ(const IRotation &rotation) const override final
+
+Returns the z-coordinate of the lowest point in this shape after a given rotation.
+";
+
%feature("docstring") FormFactorPolyhedron::evaluate_for_q "complex_t FormFactorPolyhedron::evaluate_for_q(cvector_t q) const override final
-Returns the form factor F(q) of this polyhedron, respecting the offset z_origin.
+Returns the form factor F(q) of this polyhedron, respecting the offset z_bottom.
";
%feature("docstring") FormFactorPolyhedron::evaluate_centered "complex_t FormFactorPolyhedron::evaluate_centered(cvector_t q) const
@@ -5381,7 +5361,7 @@ Returns the negative of the second order derivative in q space around q=0.
// File: classFTDistribution1DTriangle.xml
%feature("docstring") FTDistribution1DTriangle "
-Triangle IFTDistribution1D [1-|x|/omega if |x|<omega, and 0 otherwise]; its Fourier transform evaluate(q) is a squared sinc function starting at evaluate(0)=1.
+Triangle IFTDistribution1D [1-|x|/omega if |x|<omega, and 0 otherwise]; its Fourier transform evaluate(q) is a squared sinc function starting at evaluate(0)=1.
C++ includes: FTDistributions1D.h
";
@@ -6372,16 +6352,6 @@ C++ includes: IComputation.h
";
-// File: classIcosahedron.xml
-%feature("docstring") Icosahedron "";
-
-%feature("docstring") Icosahedron::Icosahedron "Icosahedron::Icosahedron(double edge)
-";
-
-%feature("docstring") Icosahedron::~Icosahedron "Icosahedron::~Icosahedron()
-";
-
-
// File: classIdentityRotation.xml
%feature("docstring") IdentityRotation "";
@@ -6894,7 +6864,7 @@ In contrast to the generic IFormFactor, a Born form factor does not depend on t
C++ includes: IFormFactorBorn.h
";
-%feature("docstring") IFormFactorBorn::IFormFactorBorn "IFormFactorBorn::IFormFactorBorn()
+%feature("docstring") IFormFactorBorn::IFormFactorBorn "IFormFactorBorn::IFormFactorBorn()=default
";
%feature("docstring") IFormFactorBorn::~IFormFactorBorn "IFormFactorBorn::~IFormFactorBorn() override
@@ -13049,9 +13019,6 @@ true if face has a perpedicular two-fold symmetry axis
%feature("docstring") PolyhedralFace::area "double PolyhedralFace::area() const
";
-%feature("docstring") PolyhedralFace::center "kvector_t PolyhedralFace::center() const
-";
-
%feature("docstring") PolyhedralFace::pyramidalVolume "double PolyhedralFace::pyramidalVolume() const
";
@@ -13462,26 +13429,6 @@ C++ includes: PyFittingCallbacks.h
";
-// File: classPyramid3.xml
-%feature("docstring") Pyramid3 "";
-
-%feature("docstring") Pyramid3::Pyramid3 "Pyramid3::Pyramid3(double length, double height, double alpha)
-";
-
-%feature("docstring") Pyramid3::~Pyramid3 "Pyramid3::~Pyramid3()
-";
-
-
-// File: classPyramid6.xml
-%feature("docstring") Pyramid6 "";
-
-%feature("docstring") Pyramid6::Pyramid6 "Pyramid6::Pyramid6(double length, double height, double alpha)
-";
-
-%feature("docstring") Pyramid6::~Pyramid6 "Pyramid6::~Pyramid6()
-";
-
-
// File: classQSpecScan.xml
%feature("docstring") QSpecScan "
@@ -16587,16 +16534,6 @@ C++ includes: TransformationsBuilder.h
";
-// File: classTriangle.xml
-%feature("docstring") Triangle "";
-
-%feature("docstring") Triangle::Triangle "Triangle::Triangle(double length, double z)
-";
-
-%feature("docstring") Triangle::~Triangle "Triangle::~Triangle()
-";
-
-
// File: classTriangularRippleBuilder.xml
%feature("docstring") TriangularRippleBuilder "
@@ -16612,16 +16549,6 @@ C++ includes: RipplesBuilder.h
";
-// File: classTruncatedCube.xml
-%feature("docstring") TruncatedCube "";
-
-%feature("docstring") TruncatedCube::TruncatedCube "TruncatedCube::TruncatedCube(double length, double removed_length)
-";
-
-%feature("docstring") TruncatedCube::~TruncatedCube "TruncatedCube::~TruncatedCube()
-";
-
-
// File: classTruncatedEllipsoid.xml
%feature("docstring") TruncatedEllipsoid "";
@@ -17085,10 +17012,10 @@ C++ includes: WavevectorInfo.h
";
-// File: classConvolve_1_1Workspace.xml
+// File: classFourierTransform_1_1Workspace.xml
-// File: classFourierTransform_1_1Workspace.xml
+// File: classConvolve_1_1Workspace.xml
// File: classZLimits.xml
@@ -17118,172 +17045,184 @@ C++ includes: ZLimits.h
";
-// File: namespace_0d103.xml
+// File: namespace_0d104.xml
-// File: namespace_0d105.xml
+// File: namespace_0d106.xml
-// File: namespace_0d107.xml
+// File: namespace_0d108.xml
-// File: namespace_0d111.xml
+// File: namespace_0d112.xml
// File: namespace_0d12.xml
-// File: namespace_0d126.xml
+// File: namespace_0d127.xml
-// File: namespace_0d135.xml
+// File: namespace_0d136.xml
-// File: namespace_0d140.xml
+// File: namespace_0d141.xml
-// File: namespace_0d149.xml
+// File: namespace_0d150.xml
-// File: namespace_0d151.xml
+// File: namespace_0d152.xml
-// File: namespace_0d155.xml
+// File: namespace_0d156.xml
// File: namespace_0d18.xml
-// File: namespace_0d191.xml
+// File: namespace_0d192.xml
// File: namespace_0d20.xml
-// File: namespace_0d226.xml
+// File: namespace_0d227.xml
-// File: namespace_0d234.xml
+// File: namespace_0d235.xml
-// File: namespace_0d240.xml
+// File: namespace_0d241.xml
-// File: namespace_0d244.xml
+// File: namespace_0d245.xml
-// File: namespace_0d294.xml
+// File: namespace_0d295.xml
-// File: namespace_0d303.xml
+// File: namespace_0d304.xml
-// File: namespace_0d311.xml
+// File: namespace_0d312.xml
-// File: namespace_0d315.xml
+// File: namespace_0d316.xml
-// File: namespace_0d317.xml
+// File: namespace_0d318.xml
// File: namespace_0d32.xml
-// File: namespace_0d329.xml
+// File: namespace_0d330.xml
-// File: namespace_0d335.xml
+// File: namespace_0d336.xml
-// File: namespace_0d356.xml
+// File: namespace_0d357.xml
-// File: namespace_0d360.xml
+// File: namespace_0d361.xml
-// File: namespace_0d362.xml
+// File: namespace_0d363.xml
-// File: namespace_0d364.xml
+// File: namespace_0d365.xml
-// File: namespace_0d374.xml
+// File: namespace_0d375.xml
-// File: namespace_0d386.xml
+// File: namespace_0d387.xml
-// File: namespace_0d390.xml
+// File: namespace_0d391.xml
// File: namespace_0d40.xml
-// File: namespace_0d402.xml
+// File: namespace_0d403.xml
-// File: namespace_0d408.xml
+// File: namespace_0d409.xml
-// File: namespace_0d413.xml
+// File: namespace_0d414.xml
-// File: namespace_0d415.xml
+// File: namespace_0d416.xml
-// File: namespace_0d419.xml
+// File: namespace_0d42.xml
-// File: namespace_0d42.xml
+// File: namespace_0d420.xml
-// File: namespace_0d421.xml
+// File: namespace_0d422.xml
-// File: namespace_0d431.xml
+// File: namespace_0d432.xml
-// File: namespace_0d444.xml
+// File: namespace_0d445.xml
-// File: namespace_0d453.xml
+// File: namespace_0d454.xml
-// File: namespace_0d455.xml
+// File: namespace_0d456.xml
-// File: namespace_0d489.xml
+// File: namespace_0d490.xml
-// File: namespace_0d496.xml
+// File: namespace_0d497.xml
-// File: namespace_0d534.xml
+// File: namespace_0d517.xml
-// File: namespace_0d542.xml
+// File: namespace_0d525.xml
-// File: namespace_0d544.xml
+// File: namespace_0d527.xml
-// File: namespace_0d546.xml
+// File: namespace_0d529.xml
// File: namespace_0d6.xml
-// File: namespace_0d630.xml
+// File: namespace_0d613.xml
+
+
+// File: namespace_0d617.xml
+
+
+// File: namespace_0d641.xml
-// File: namespace_0d634.xml
+// File: namespace_0d98.xml
-// File: namespace_0d658.xml
+// File: namespacealgo.xml
+%feature("docstring") algo::min_value "double algo::min_value(const Iterator &begin, const Iterator &end, const Evaluator &evaluate)
+Returns the minimum value of function evaluate as applied to the elements of an iterator range.
+";
+
+%feature("docstring") algo::max_value "double algo::max_value(const Iterator &begin, const Iterator &end, const Evaluator &evaluate)
-// File: namespace_0d97.xml
+Returns the maximum value of function evaluate as applied to the elements of an iterator range.
+";
// File: namespaceArrayUtils.xml
@@ -18488,6 +18427,9 @@ Helper factory function to use in GISASSimulation. Depending on the type of det
// File: ParticleLayout_8h.xml
+// File: Algorithms_8h.xml
+
+
// File: BornAgainNamespace_8h.xml
@@ -20045,48 +19987,18 @@ Returns concatenated rotation (first right, then left).
";
-// File: AnisoPyramid_8cpp.xml
-
-
-// File: AnisoPyramid_8h.xml
-
-
-// File: BiPyramid_8cpp.xml
-
-
-// File: BiPyramid_8h.xml
-
-
// File: Box_8cpp.xml
// File: Box_8h.xml
-// File: Dodecahedron_8cpp.xml
-
-
-// File: Dodecahedron_8h.xml
-
-
-// File: Dot_8cpp.xml
-
-
-// File: Dot_8h.xml
-
-
// File: DoubleEllipse_8cpp.xml
// File: DoubleEllipse_8h.xml
-// File: Icosahedron_8cpp.xml
-
-
-// File: Icosahedron_8h.xml
-
-
// File: IShape_8cpp.xml
%feature("docstring") RectangleVertices "std::vector<kvector_t> RectangleVertices(double length, double width, double z)
@@ -20095,16 +20007,6 @@ Helper functions to construct lists of vertices
Generate vertices of centered rectangle at height z
";
-%feature("docstring") TriangleVertices "std::vector<kvector_t> TriangleVertices(double length, double z)
-
-Generate vertices of centered regular triangle with vertex on x-axis at height z.
-";
-
-%feature("docstring") HexagonVertices "std::vector<kvector_t> HexagonVertices(double length, double z)
-
-Generate vertices of centered regular hexagon with vertex on x-axis at height z.
-";
-
%feature("docstring") EllipseVertices "std::vector<kvector_t> EllipseVertices(double r_x, double r_y, double z)
Generate vertices of centered ellipse with given semi-axes at height z.
@@ -20119,34 +20021,12 @@ Helper functions to construct lists of vertices
Generate vertices of centered rectangle at height z
";
-%feature("docstring") TriangleVertices "std::vector<kvector_t> TriangleVertices(double length, double z)
-
-Generate vertices of centered regular triangle with vertex on x-axis at height z.
-";
-
-%feature("docstring") HexagonVertices "std::vector<kvector_t> HexagonVertices(double length, double z)
-
-Generate vertices of centered regular hexagon with vertex on x-axis at height z.
-";
-
%feature("docstring") EllipseVertices "std::vector<kvector_t> EllipseVertices(double r_x, double r_y, double z)
Generate vertices of centered ellipse with given semi-axes at height z.
";
-// File: Pyramid3_8cpp.xml
-
-
-// File: Pyramid3_8h.xml
-
-
-// File: Pyramid6_8cpp.xml
-
-
-// File: Pyramid6_8h.xml
-
-
// File: RippleCosine_8cpp.xml
@@ -20159,18 +20039,6 @@ Generate vertices of centered ellipse with given semi-axes at height z.
// File: RippleSawtooth_8h.xml
-// File: Triangle_8cpp.xml
-
-
-// File: Triangle_8h.xml
-
-
-// File: TruncatedCube_8cpp.xml
-
-
-// File: TruncatedCube_8h.xml
-
-
// File: TruncatedEllipsoid_8cpp.xml
@@ -20623,27 +20491,9 @@ Creates a vector<double> as a wavevector with given wavelength and angles. Speci
// File: Transform3D_8cpp.xml
-%feature("docstring") BottomZ "double BottomZ(const std::vector< kvector_t > &vertices, const Transform3D &rotation)
-
-Calculates the z-coordinate of the lowest vertex after rotation.
-";
-
-%feature("docstring") TopZ "double TopZ(const std::vector< kvector_t > &vertices, const Transform3D &rotation)
-
-Calculates the z-coordinate of the highest vertex after rotation.
-";
// File: Transform3D_8h.xml
-%feature("docstring") BottomZ "double BottomZ(const std::vector< kvector_t > &vertices, const Transform3D &rotation)
-
-Calculates the z-coordinate of the lowest vertex after rotation.
-";
-
-%feature("docstring") TopZ "double TopZ(const std::vector< kvector_t > &vertices, const Transform3D &rotation)
-
-Calculates the z-coordinate of the highest vertex after rotation.
-";
// File: Vectors3D_8h.xml
diff --git a/auto/Wrap/libBornAgainCore.py b/auto/Wrap/libBornAgainCore.py
index dfc4e8df16c5e4bb0df0ffd05e7eaf0f0b704ea6..27463c3dbd81cd40fc0a646beeddffe7b419be72 100644
--- a/auto/Wrap/libBornAgainCore.py
+++ b/auto/Wrap/libBornAgainCore.py
@@ -7851,7 +7851,7 @@ class FTDistribution1DTriangle(IFTDistribution1D):
r"""
- Triangle IFTDistribution1D [1-|x|/omega if |x|<omega, and 0 otherwise]; its Fourier transform evaluate(q) is a squared sinc function starting at evaluate(0)=1.
+ Triangle IFTDistribution1D [1-|x|/omega if |x|<omega, and 0 otherwise]; its Fourier transform evaluate(q) is a squared sinc function starting at evaluate(0)=1.
C++ includes: FTDistributions1D.h
@@ -8887,7 +8887,7 @@ class IFormFactorBorn(IFormFactor):
def __init__(self):
r"""
__init__(IFormFactorBorn self) -> IFormFactorBorn
- IFormFactorBorn::IFormFactorBorn()
+ IFormFactorBorn::IFormFactorBorn()=default
"""
if self.__class__ == IFormFactorBorn:
@@ -9278,14 +9278,6 @@ class PolyhedralFace(object):
"""
return _libBornAgainCore.PolyhedralFace_area(self)
- def center(self):
- r"""
- center(PolyhedralFace self) -> kvector_t
- kvector_t PolyhedralFace::center() const
-
- """
- return _libBornAgainCore.PolyhedralFace_center(self)
-
def pyramidalVolume(self):
r"""
pyramidalVolume(PolyhedralFace self) -> double
@@ -9376,12 +9368,32 @@ class FormFactorPolyhedron(IFormFactorBorn):
raise AttributeError("No constructor defined - class is abstract")
__repr__ = _swig_repr
+ def bottomZ(self, rotation):
+ r"""
+ bottomZ(FormFactorPolyhedron self, IRotation rotation) -> double
+ double FormFactorPolyhedron::bottomZ(const IRotation &rotation) const override final
+
+ Returns the z-coordinate of the lowest point in this shape after a given rotation.
+
+ """
+ return _libBornAgainCore.FormFactorPolyhedron_bottomZ(self, rotation)
+
+ def topZ(self, rotation):
+ r"""
+ topZ(FormFactorPolyhedron self, IRotation rotation) -> double
+ double FormFactorPolyhedron::topZ(const IRotation &rotation) const override final
+
+ Returns the z-coordinate of the lowest point in this shape after a given rotation.
+
+ """
+ return _libBornAgainCore.FormFactorPolyhedron_topZ(self, rotation)
+
def evaluate_for_q(self, q):
r"""
evaluate_for_q(FormFactorPolyhedron self, cvector_t q) -> complex_t
complex_t FormFactorPolyhedron::evaluate_for_q(cvector_t q) const override final
- Returns the form factor F(q) of this polyhedron, respecting the offset z_origin.
+ Returns the form factor F(q) of this polyhedron, respecting the offset z_bottom.
"""
return _libBornAgainCore.FormFactorPolyhedron_evaluate_for_q(self, q)
@@ -9446,6 +9458,26 @@ class FormFactorPolygonalPrism(IFormFactorBorn):
raise AttributeError("No constructor defined - class is abstract")
__repr__ = _swig_repr
+ def bottomZ(self, rotation):
+ r"""
+ bottomZ(FormFactorPolygonalPrism self, IRotation rotation) -> double
+ double FormFactorPolygonalPrism::bottomZ(const IRotation &rotation) const override final
+
+ Returns the z-coordinate of the lowest point in this shape after a given rotation.
+
+ """
+ return _libBornAgainCore.FormFactorPolygonalPrism_bottomZ(self, rotation)
+
+ def topZ(self, rotation):
+ r"""
+ topZ(FormFactorPolygonalPrism self, IRotation rotation) -> double
+ double FormFactorPolygonalPrism::topZ(const IRotation &rotation) const override final
+
+ Returns the z-coordinate of the lowest point in this shape after a given rotation.
+
+ """
+ return _libBornAgainCore.FormFactorPolygonalPrism_topZ(self, rotation)
+
def evaluate_for_q(self, q):
r"""
evaluate_for_q(FormFactorPolygonalPrism self, cvector_t q) -> complex_t
diff --git a/auto/Wrap/libBornAgainCore_wrap.cpp b/auto/Wrap/libBornAgainCore_wrap.cpp
index d4e6afc7c20a0f842f4e3d0e85f52751cf1628cb..fb7e4ed8af832fed6cc7bb1e70f3e019de5366d9 100644
--- a/auto/Wrap/libBornAgainCore_wrap.cpp
+++ b/auto/Wrap/libBornAgainCore_wrap.cpp
@@ -68197,29 +68197,6 @@ fail:
}
-SWIGINTERN PyObject *_wrap_PolyhedralFace_center(PyObject *SWIGUNUSEDPARM(self), PyObject *args) {
- PyObject *resultobj = 0;
- PolyhedralFace *arg1 = (PolyhedralFace *) 0 ;
- void *argp1 = 0 ;
- int res1 = 0 ;
- PyObject *swig_obj[1] ;
- kvector_t result;
-
- if (!args) SWIG_fail;
- swig_obj[0] = args;
- res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_PolyhedralFace, 0 | 0 );
- if (!SWIG_IsOK(res1)) {
- SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "PolyhedralFace_center" "', argument " "1"" of type '" "PolyhedralFace const *""'");
- }
- arg1 = reinterpret_cast< PolyhedralFace * >(argp1);
- result = ((PolyhedralFace const *)arg1)->center();
- resultobj = SWIG_NewPointerObj((new kvector_t(static_cast< const kvector_t& >(result))), SWIGTYPE_p_BasicVector3DT_double_t, SWIG_POINTER_OWN | 0 );
- return resultobj;
-fail:
- return NULL;
-}
-
-
SWIGINTERN PyObject *_wrap_PolyhedralFace_pyramidalVolume(PyObject *SWIGUNUSEDPARM(self), PyObject *args) {
PyObject *resultobj = 0;
PolyhedralFace *arg1 = (PolyhedralFace *) 0 ;
@@ -68499,6 +68476,72 @@ SWIGINTERN PyObject *PolyhedralFace_swiginit(PyObject *SWIGUNUSEDPARM(self), PyO
return SWIG_Python_InitShadowInstance(args);
}
+SWIGINTERN PyObject *_wrap_FormFactorPolyhedron_bottomZ(PyObject *SWIGUNUSEDPARM(self), PyObject *args) {
+ PyObject *resultobj = 0;
+ FormFactorPolyhedron *arg1 = (FormFactorPolyhedron *) 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, "FormFactorPolyhedron_bottomZ", 2, 2, swig_obj)) SWIG_fail;
+ res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_FormFactorPolyhedron, 0 | 0 );
+ if (!SWIG_IsOK(res1)) {
+ SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "FormFactorPolyhedron_bottomZ" "', argument " "1"" of type '" "FormFactorPolyhedron const *""'");
+ }
+ arg1 = reinterpret_cast< FormFactorPolyhedron * >(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 '" "FormFactorPolyhedron_bottomZ" "', argument " "2"" of type '" "IRotation const &""'");
+ }
+ if (!argp2) {
+ SWIG_exception_fail(SWIG_ValueError, "invalid null reference " "in method '" "FormFactorPolyhedron_bottomZ" "', argument " "2"" of type '" "IRotation const &""'");
+ }
+ arg2 = reinterpret_cast< IRotation * >(argp2);
+ result = (double)((FormFactorPolyhedron const *)arg1)->bottomZ((IRotation const &)*arg2);
+ resultobj = SWIG_From_double(static_cast< double >(result));
+ return resultobj;
+fail:
+ return NULL;
+}
+
+
+SWIGINTERN PyObject *_wrap_FormFactorPolyhedron_topZ(PyObject *SWIGUNUSEDPARM(self), PyObject *args) {
+ PyObject *resultobj = 0;
+ FormFactorPolyhedron *arg1 = (FormFactorPolyhedron *) 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, "FormFactorPolyhedron_topZ", 2, 2, swig_obj)) SWIG_fail;
+ res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_FormFactorPolyhedron, 0 | 0 );
+ if (!SWIG_IsOK(res1)) {
+ SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "FormFactorPolyhedron_topZ" "', argument " "1"" of type '" "FormFactorPolyhedron const *""'");
+ }
+ arg1 = reinterpret_cast< FormFactorPolyhedron * >(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 '" "FormFactorPolyhedron_topZ" "', argument " "2"" of type '" "IRotation const &""'");
+ }
+ if (!argp2) {
+ SWIG_exception_fail(SWIG_ValueError, "invalid null reference " "in method '" "FormFactorPolyhedron_topZ" "', argument " "2"" of type '" "IRotation const &""'");
+ }
+ arg2 = reinterpret_cast< IRotation * >(argp2);
+ result = (double)((FormFactorPolyhedron const *)arg1)->topZ((IRotation const &)*arg2);
+ resultobj = SWIG_From_double(static_cast< double >(result));
+ return resultobj;
+fail:
+ return NULL;
+}
+
+
SWIGINTERN PyObject *_wrap_FormFactorPolyhedron_evaluate_for_q(PyObject *SWIGUNUSEDPARM(self), PyObject *args) {
PyObject *resultobj = 0;
FormFactorPolyhedron *arg1 = (FormFactorPolyhedron *) 0 ;
@@ -68672,6 +68715,72 @@ SWIGINTERN PyObject *FormFactorPolyhedron_swigregister(PyObject *SWIGUNUSEDPARM(
return SWIG_Py_Void();
}
+SWIGINTERN PyObject *_wrap_FormFactorPolygonalPrism_bottomZ(PyObject *SWIGUNUSEDPARM(self), PyObject *args) {
+ PyObject *resultobj = 0;
+ FormFactorPolygonalPrism *arg1 = (FormFactorPolygonalPrism *) 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, "FormFactorPolygonalPrism_bottomZ", 2, 2, swig_obj)) SWIG_fail;
+ res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_FormFactorPolygonalPrism, 0 | 0 );
+ if (!SWIG_IsOK(res1)) {
+ SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "FormFactorPolygonalPrism_bottomZ" "', argument " "1"" of type '" "FormFactorPolygonalPrism const *""'");
+ }
+ arg1 = reinterpret_cast< FormFactorPolygonalPrism * >(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 '" "FormFactorPolygonalPrism_bottomZ" "', argument " "2"" of type '" "IRotation const &""'");
+ }
+ if (!argp2) {
+ SWIG_exception_fail(SWIG_ValueError, "invalid null reference " "in method '" "FormFactorPolygonalPrism_bottomZ" "', argument " "2"" of type '" "IRotation const &""'");
+ }
+ arg2 = reinterpret_cast< IRotation * >(argp2);
+ result = (double)((FormFactorPolygonalPrism const *)arg1)->bottomZ((IRotation const &)*arg2);
+ resultobj = SWIG_From_double(static_cast< double >(result));
+ return resultobj;
+fail:
+ return NULL;
+}
+
+
+SWIGINTERN PyObject *_wrap_FormFactorPolygonalPrism_topZ(PyObject *SWIGUNUSEDPARM(self), PyObject *args) {
+ PyObject *resultobj = 0;
+ FormFactorPolygonalPrism *arg1 = (FormFactorPolygonalPrism *) 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, "FormFactorPolygonalPrism_topZ", 2, 2, swig_obj)) SWIG_fail;
+ res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_FormFactorPolygonalPrism, 0 | 0 );
+ if (!SWIG_IsOK(res1)) {
+ SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "FormFactorPolygonalPrism_topZ" "', argument " "1"" of type '" "FormFactorPolygonalPrism const *""'");
+ }
+ arg1 = reinterpret_cast< FormFactorPolygonalPrism * >(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 '" "FormFactorPolygonalPrism_topZ" "', argument " "2"" of type '" "IRotation const &""'");
+ }
+ if (!argp2) {
+ SWIG_exception_fail(SWIG_ValueError, "invalid null reference " "in method '" "FormFactorPolygonalPrism_topZ" "', argument " "2"" of type '" "IRotation const &""'");
+ }
+ arg2 = reinterpret_cast< IRotation * >(argp2);
+ result = (double)((FormFactorPolygonalPrism const *)arg1)->topZ((IRotation const &)*arg2);
+ resultobj = SWIG_From_double(static_cast< double >(result));
+ return resultobj;
+fail:
+ return NULL;
+}
+
+
SWIGINTERN PyObject *_wrap_FormFactorPolygonalPrism_evaluate_for_q(PyObject *SWIGUNUSEDPARM(self), PyObject *args) {
PyObject *resultobj = 0;
FormFactorPolygonalPrism *arg1 = (FormFactorPolygonalPrism *) 0 ;
@@ -126456,7 +126565,7 @@ static PyMethodDef SwigMethods[] = {
{ "vector_IFormFactorPtr_t_swiginit", vector_IFormFactorPtr_t_swiginit, METH_VARARGS, NULL},
{ "new_IFormFactorBorn", _wrap_new_IFormFactorBorn, METH_O, "\n"
"new_IFormFactorBorn(PyObject * _self) -> IFormFactorBorn\n"
- "IFormFactorBorn::IFormFactorBorn()\n"
+ "IFormFactorBorn::IFormFactorBorn()=default\n"
"\n"
""},
{ "delete_IFormFactorBorn", _wrap_delete_IFormFactorBorn, METH_O, "\n"
@@ -126678,11 +126787,6 @@ static PyMethodDef SwigMethods[] = {
"double PolyhedralFace::area() const\n"
"\n"
""},
- { "PolyhedralFace_center", _wrap_PolyhedralFace_center, METH_O, "\n"
- "PolyhedralFace_center(PolyhedralFace self) -> kvector_t\n"
- "kvector_t PolyhedralFace::center() const\n"
- "\n"
- ""},
{ "PolyhedralFace_pyramidalVolume", _wrap_PolyhedralFace_pyramidalVolume, METH_O, "\n"
"PolyhedralFace_pyramidalVolume(PolyhedralFace self) -> double\n"
"double PolyhedralFace::pyramidalVolume() const\n"
@@ -126731,11 +126835,25 @@ static PyMethodDef SwigMethods[] = {
{ "delete_PolyhedralFace", _wrap_delete_PolyhedralFace, METH_O, "delete_PolyhedralFace(PolyhedralFace self)"},
{ "PolyhedralFace_swigregister", PolyhedralFace_swigregister, METH_O, NULL},
{ "PolyhedralFace_swiginit", PolyhedralFace_swiginit, METH_VARARGS, NULL},
+ { "FormFactorPolyhedron_bottomZ", _wrap_FormFactorPolyhedron_bottomZ, METH_VARARGS, "\n"
+ "FormFactorPolyhedron_bottomZ(FormFactorPolyhedron self, IRotation rotation) -> double\n"
+ "double FormFactorPolyhedron::bottomZ(const IRotation &rotation) const override final\n"
+ "\n"
+ "Returns the z-coordinate of the lowest point in this shape after a given rotation. \n"
+ "\n"
+ ""},
+ { "FormFactorPolyhedron_topZ", _wrap_FormFactorPolyhedron_topZ, METH_VARARGS, "\n"
+ "FormFactorPolyhedron_topZ(FormFactorPolyhedron self, IRotation rotation) -> double\n"
+ "double FormFactorPolyhedron::topZ(const IRotation &rotation) const override final\n"
+ "\n"
+ "Returns the z-coordinate of the lowest point in this shape after a given rotation. \n"
+ "\n"
+ ""},
{ "FormFactorPolyhedron_evaluate_for_q", _wrap_FormFactorPolyhedron_evaluate_for_q, METH_VARARGS, "\n"
"FormFactorPolyhedron_evaluate_for_q(FormFactorPolyhedron self, cvector_t q) -> complex_t\n"
"complex_t FormFactorPolyhedron::evaluate_for_q(cvector_t q) const override final\n"
"\n"
- "Returns the form factor F(q) of this polyhedron, respecting the offset z_origin. \n"
+ "Returns the form factor F(q) of this polyhedron, respecting the offset z_bottom. \n"
"\n"
""},
{ "FormFactorPolyhedron_evaluate_centered", _wrap_FormFactorPolyhedron_evaluate_centered, METH_VARARGS, "\n"
@@ -126768,6 +126886,20 @@ static PyMethodDef SwigMethods[] = {
""},
{ "delete_FormFactorPolyhedron", _wrap_delete_FormFactorPolyhedron, METH_O, "delete_FormFactorPolyhedron(FormFactorPolyhedron self)"},
{ "FormFactorPolyhedron_swigregister", FormFactorPolyhedron_swigregister, METH_O, NULL},
+ { "FormFactorPolygonalPrism_bottomZ", _wrap_FormFactorPolygonalPrism_bottomZ, METH_VARARGS, "\n"
+ "FormFactorPolygonalPrism_bottomZ(FormFactorPolygonalPrism self, IRotation rotation) -> double\n"
+ "double FormFactorPolygonalPrism::bottomZ(const IRotation &rotation) const override final\n"
+ "\n"
+ "Returns the z-coordinate of the lowest point in this shape after a given rotation. \n"
+ "\n"
+ ""},
+ { "FormFactorPolygonalPrism_topZ", _wrap_FormFactorPolygonalPrism_topZ, METH_VARARGS, "\n"
+ "FormFactorPolygonalPrism_topZ(FormFactorPolygonalPrism self, IRotation rotation) -> double\n"
+ "double FormFactorPolygonalPrism::topZ(const IRotation &rotation) const override final\n"
+ "\n"
+ "Returns the z-coordinate of the lowest point in this shape after a given rotation. \n"
+ "\n"
+ ""},
{ "FormFactorPolygonalPrism_evaluate_for_q", _wrap_FormFactorPolygonalPrism_evaluate_for_q, METH_VARARGS, "\n"
"FormFactorPolygonalPrism_evaluate_for_q(FormFactorPolygonalPrism self, cvector_t q) -> complex_t\n"
"complex_t FormFactorPolygonalPrism::evaluate_for_q(cvector_t q) const override final\n"