From aaf0a99631ba6fc0bed434cfdf34b28e3c05f82f Mon Sep 17 00:00:00 2001
From: "Joachim Wuttke (h)" <j.wuttke@fz-juelich.de>
Date: Tue, 13 Dec 2022 12:48:56 +0100
Subject: [PATCH] Box -> ff
---
Sample/HardParticle/Polyhedra.cpp | 29 +-----
Sample/HardParticle/Polyhedra.h | 12 ---
Tests/Unit/Sample/FormFactorBasicTest.cpp | 3 +-
Tests/Unit/Sim/PythonFormattingTest.cpp | 13 ---
auto/Wrap/libBornAgainSample.py | 16 ----
auto/Wrap/libBornAgainSample_wrap.cpp | 111 ----------------------
6 files changed, 4 insertions(+), 180 deletions(-)
diff --git a/Sample/HardParticle/Polyhedra.cpp b/Sample/HardParticle/Polyhedra.cpp
index c97a65cb7d1..dcb9dacb3cc 100644
--- a/Sample/HardParticle/Polyhedra.cpp
+++ b/Sample/HardParticle/Polyhedra.cpp
@@ -29,7 +29,8 @@ Box::Box(const std::vector<double> P)
, m_width(m_P[1])
, m_height(m_P[2])
{
- validateOrThrow();
+ pimpl.reset(ff::make::Box(m_length, m_width, m_height));
+ m_validated = true;
}
Box::Box(double length, double width, double height)
@@ -37,32 +38,6 @@ Box::Box(double length, double width, double height)
{
}
-complex_t Box::formfactor(C3 q) const
-{
- ASSERT(m_validated);
- complex_t qzHdiv2 = m_height / 2 * q.z();
- return m_length * m_width * m_height * Math::sinc(m_length / 2 * q.x())
- * Math::sinc(m_width / 2 * q.y()) * Math::sinc(qzHdiv2) * exp_I(qzHdiv2);
-}
-
-std::string Box::validate() const
-{
- std::vector<std::string> errs;
- requestGt0(errs, m_length, "length");
- requestGt0(errs, m_width, "width");
- requestGt0(errs, m_height, "height");
- if (!errs.empty())
- return jointError(errs);
-
- double a = m_length / 2;
- double b = m_width / 2;
- std::vector<R3> base_vertices{{a, b, 0.}, {-a, b, 0.}, {-a, -b, 0.}, {a, -b, 0}};
- setPrism(true, base_vertices);
-
- m_validated = true;
- return "";
-}
-
Prism3::Prism3(const std::vector<double> P)
: IFormFactorPrism(P)
diff --git a/Sample/HardParticle/Polyhedra.h b/Sample/HardParticle/Polyhedra.h
index d21cc5b349d..4179044e21f 100644
--- a/Sample/HardParticle/Polyhedra.h
+++ b/Sample/HardParticle/Polyhedra.h
@@ -58,18 +58,6 @@ public:
return m_height;
}
- double volume() const override
- {
- return m_length * m_height * m_width;
- }
- double radialExtension() const override
- {
- return m_length / 2.0;
- }
- complex_t formfactor(C3 q) const override;
-
- std::string validate() const override;
-
private:
const double& m_length;
const double& m_width;
diff --git a/Tests/Unit/Sample/FormFactorBasicTest.cpp b/Tests/Unit/Sample/FormFactorBasicTest.cpp
index f7dbb896fe4..91a638902a7 100644
--- a/Tests/Unit/Sample/FormFactorBasicTest.cpp
+++ b/Tests/Unit/Sample/FormFactorBasicTest.cpp
@@ -157,7 +157,8 @@ TEST_F(FormFactorBasicTest, Box)
double volume = length * height * width;
Box particle(length, width, height);
- EXPECT_EQ(3., particle.radialExtension());
+ EXPECT_NEAR(sqrt(pow(length / 2, 2) + pow(height / 2, 2) + pow(width / 2, 2)),
+ particle.radialExtension(), 1e-14);
EXPECT_DOUBLE_EQ(volume, particle.volume());
RotationZ rot(.42);
diff --git a/Tests/Unit/Sim/PythonFormattingTest.cpp b/Tests/Unit/Sim/PythonFormattingTest.cpp
index 4c2bb6367ae..96c0510f521 100644
--- a/Tests/Unit/Sim/PythonFormattingTest.cpp
+++ b/Tests/Unit/Sim/PythonFormattingTest.cpp
@@ -5,31 +5,18 @@
#include "Sample/Correlations/Profiles1D.h"
#include "Sample/Correlations/Profiles2D.h"
#include "Sample/HardParticle/Bar.h"
-#include "Sample/HardParticle/Polyhedra.h"
-#include "Sample/HardParticle/Polyhedra.h"
-#include "Sample/HardParticle/Polyhedra.h"
#include "Sample/HardParticle/Cone.h"
#include "Sample/HardParticle/CosineRipple.h"
#include "Sample/HardParticle/Cylinder.h"
-#include "Sample/HardParticle/Polyhedra.h"
#include "Sample/HardParticle/EllipsoidalCylinder.h"
#include "Sample/HardParticle/HemiEllipsoid.h"
#include "Sample/HardParticle/HorizontalCylinder.h"
-#include "Sample/HardParticle/Polyhedra.h"
#include "Sample/HardParticle/LongBoxGauss.h"
#include "Sample/HardParticle/LongBoxLorentz.h"
#include "Sample/HardParticle/Polyhedra.h"
-#include "Sample/HardParticle/Polyhedra.h"
-#include "Sample/HardParticle/Polyhedra.h"
-#include "Sample/HardParticle/Polyhedra.h"
-#include "Sample/HardParticle/Polyhedra.h"
-#include "Sample/HardParticle/Polyhedra.h"
-#include "Sample/HardParticle/Polyhedra.h"
-#include "Sample/HardParticle/Polyhedra.h"
#include "Sample/HardParticle/SawtoothRipple.h"
#include "Sample/HardParticle/Sphere.h"
#include "Sample/HardParticle/Spheroid.h"
-#include "Sample/HardParticle/Polyhedra.h"
#include "Sample/HardParticle/TruncatedSphere.h"
#include "Sample/HardParticle/TruncatedSpheroid.h"
#include "Sample/Interface/LayerRoughness.h"
diff --git a/auto/Wrap/libBornAgainSample.py b/auto/Wrap/libBornAgainSample.py
index 3e29a4ccabe..ae48a74ecfa 100644
--- a/auto/Wrap/libBornAgainSample.py
+++ b/auto/Wrap/libBornAgainSample.py
@@ -4846,22 +4846,6 @@ class Box(IFormFactorPrism):
def height(self):
r"""height(Box self) -> double"""
return _libBornAgainSample.Box_height(self)
-
- def volume(self):
- r"""volume(Box self) -> double"""
- return _libBornAgainSample.Box_volume(self)
-
- def radialExtension(self):
- r"""radialExtension(Box self) -> double"""
- return _libBornAgainSample.Box_radialExtension(self)
-
- def formfactor(self, q):
- r"""formfactor(Box self, C3 q) -> complex_t"""
- return _libBornAgainSample.Box_formfactor(self, q)
-
- def validate(self):
- r"""validate(Box self) -> std::string"""
- return _libBornAgainSample.Box_validate(self)
__swig_destroy__ = _libBornAgainSample.delete_Box
# Register Box in _libBornAgainSample:
diff --git a/auto/Wrap/libBornAgainSample_wrap.cpp b/auto/Wrap/libBornAgainSample_wrap.cpp
index f159f6c9f2e..c267d66b3c4 100644
--- a/auto/Wrap/libBornAgainSample_wrap.cpp
+++ b/auto/Wrap/libBornAgainSample_wrap.cpp
@@ -48778,113 +48778,6 @@ fail:
}
-SWIGINTERN PyObject *_wrap_Box_volume(PyObject *self, PyObject *args) {
- PyObject *resultobj = 0;
- Box *arg1 = (Box *) 0 ;
- void *argp1 = 0 ;
- int res1 = 0 ;
- PyObject *swig_obj[1] ;
- double result;
-
- if (!args) SWIG_fail;
- swig_obj[0] = args;
- res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_Box, 0 | 0 );
- if (!SWIG_IsOK(res1)) {
- SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "Box_volume" "', argument " "1"" of type '" "Box const *""'");
- }
- arg1 = reinterpret_cast< Box * >(argp1);
- result = (double)((Box const *)arg1)->volume();
- resultobj = SWIG_From_double(static_cast< double >(result));
- return resultobj;
-fail:
- return NULL;
-}
-
-
-SWIGINTERN PyObject *_wrap_Box_radialExtension(PyObject *self, PyObject *args) {
- PyObject *resultobj = 0;
- Box *arg1 = (Box *) 0 ;
- void *argp1 = 0 ;
- int res1 = 0 ;
- PyObject *swig_obj[1] ;
- double result;
-
- if (!args) SWIG_fail;
- swig_obj[0] = args;
- res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_Box, 0 | 0 );
- if (!SWIG_IsOK(res1)) {
- SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "Box_radialExtension" "', argument " "1"" of type '" "Box const *""'");
- }
- arg1 = reinterpret_cast< Box * >(argp1);
- result = (double)((Box const *)arg1)->radialExtension();
- resultobj = SWIG_From_double(static_cast< double >(result));
- return resultobj;
-fail:
- return NULL;
-}
-
-
-SWIGINTERN PyObject *_wrap_Box_formfactor(PyObject *self, PyObject *args) {
- PyObject *resultobj = 0;
- Box *arg1 = (Box *) 0 ;
- C3 arg2 ;
- void *argp1 = 0 ;
- int res1 = 0 ;
- void *argp2 ;
- int res2 = 0 ;
- PyObject *swig_obj[2] ;
- complex_t result;
-
- if (!SWIG_Python_UnpackTuple(args, "Box_formfactor", 2, 2, swig_obj)) SWIG_fail;
- res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_Box, 0 | 0 );
- if (!SWIG_IsOK(res1)) {
- SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "Box_formfactor" "', argument " "1"" of type '" "Box const *""'");
- }
- arg1 = reinterpret_cast< Box * >(argp1);
- {
- res2 = SWIG_ConvertPtr(swig_obj[1], &argp2, SWIGTYPE_p_Vec3T_std__complexT_double_t_t, 0 | 0);
- if (!SWIG_IsOK(res2)) {
- SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "Box_formfactor" "', argument " "2"" of type '" "C3""'");
- }
- if (!argp2) {
- SWIG_exception_fail(SWIG_ValueError, "invalid null reference " "in method '" "Box_formfactor" "', argument " "2"" of type '" "C3""'");
- } else {
- C3 * temp = reinterpret_cast< C3 * >(argp2);
- arg2 = *temp;
- if (SWIG_IsNewObj(res2)) delete temp;
- }
- }
- result = ((Box const *)arg1)->formfactor(arg2);
- resultobj = SWIG_From_std_complex_Sl_double_Sg_(static_cast< std::complex<double> >(result));
- return resultobj;
-fail:
- return NULL;
-}
-
-
-SWIGINTERN PyObject *_wrap_Box_validate(PyObject *self, PyObject *args) {
- PyObject *resultobj = 0;
- Box *arg1 = (Box *) 0 ;
- void *argp1 = 0 ;
- int res1 = 0 ;
- PyObject *swig_obj[1] ;
- std::string result;
-
- if (!args) SWIG_fail;
- swig_obj[0] = args;
- res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_Box, 0 | 0 );
- if (!SWIG_IsOK(res1)) {
- SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "Box_validate" "', argument " "1"" of type '" "Box const *""'");
- }
- arg1 = reinterpret_cast< Box * >(argp1);
- result = ((Box const *)arg1)->validate();
- resultobj = SWIG_From_std_string(static_cast< std::string >(result));
- return resultobj;
-fail:
- return NULL;
-}
-
-
SWIGINTERN PyObject *_wrap_delete_Box(PyObject *self, PyObject *args) {
PyObject *resultobj = 0;
Box *arg1 = (Box *) 0 ;
@@ -62023,10 +61916,6 @@ static PyMethodDef SwigMethods[] = {
{ "Box_length", _wrap_Box_length, METH_O, "Box_length(Box self) -> double"},
{ "Box_width", _wrap_Box_width, METH_O, "Box_width(Box self) -> double"},
{ "Box_height", _wrap_Box_height, METH_O, "Box_height(Box self) -> double"},
- { "Box_volume", _wrap_Box_volume, METH_O, "Box_volume(Box self) -> double"},
- { "Box_radialExtension", _wrap_Box_radialExtension, METH_O, "Box_radialExtension(Box self) -> double"},
- { "Box_formfactor", _wrap_Box_formfactor, METH_VARARGS, "Box_formfactor(Box self, C3 q) -> complex_t"},
- { "Box_validate", _wrap_Box_validate, METH_O, "Box_validate(Box self) -> std::string"},
{ "delete_Box", _wrap_delete_Box, METH_O, "delete_Box(Box self)"},
{ "Box_swigregister", Box_swigregister, METH_O, NULL},
{ "Box_swiginit", Box_swiginit, METH_VARARGS, NULL},
--
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