From 96ab73c5890ba44faba9b1e563e7a24b2a980234 Mon Sep 17 00:00:00 2001
From: Walter Van Herck <w.van.herck@fz-juelich.de>
Date: Wed, 10 Jul 2019 10:26:23 +0200
Subject: [PATCH] Move MaterialProfile function to separate file and expose it
to Python API
---
Core/Computation/MultiLayerUtils.cpp | 26 --------------
Core/Computation/MultiLayerUtils.h | 5 ---
Core/Multilayer/MultiLayerFuncs.cpp | 49 +++++++++++++++++++++++++
Core/Multilayer/MultiLayerFuncs.h | 31 ++++++++++++++++
Wrap/swig/libBornAgainCore.i | 2 ++
auto/Wrap/libBornAgainCore.py | 4 +++
auto/Wrap/libBornAgainCore_wrap.cpp | 54 ++++++++++++++++++++++++++++
7 files changed, 140 insertions(+), 31 deletions(-)
create mode 100644 Core/Multilayer/MultiLayerFuncs.cpp
create mode 100644 Core/Multilayer/MultiLayerFuncs.h
diff --git a/Core/Computation/MultiLayerUtils.cpp b/Core/Computation/MultiLayerUtils.cpp
index c6c09e6a676..5f3019b7a4f 100644
--- a/Core/Computation/MultiLayerUtils.cpp
+++ b/Core/Computation/MultiLayerUtils.cpp
@@ -19,14 +19,10 @@
#include "LayerInterface.h"
#include "MaterialUtils.h"
#include "MultiLayer.h"
-#include "ProcessedSample.h"
-#include "ProfileHelper.h"
-#include "SimulationOptions.h"
namespace
{
std::vector<double> BottomLayerCoordinates(const MultiLayer& multilayer);
-std::vector<double> GenerateZValues(int n_points, double z_min, double z_max);
} // namespace
double MultiLayerUtils::LayerThickness(const MultiLayer& multilayer, size_t i)
@@ -87,17 +83,6 @@ std::vector<ZLimits> MultiLayerUtils::ParticleRegions(const MultiLayer& multilay
return layer_fill_limits.layerZLimits();
}
-std::vector<complex_t> MultiLayerUtils::MaterialProfile(const MultiLayer& multilayer, int n_points,
- double z_min, double z_max)
-{
- SimulationOptions options;
- options.setUseAvgMaterials(true);
- ProcessedSample sample(multilayer, options);
- ProfileHelper helper(sample);
- std::vector<double> z_values = GenerateZValues(n_points, z_min, z_max);
- return helper.calculateProfile(z_values);
-}
-
namespace
{
std::vector<double> BottomLayerCoordinates(const MultiLayer& multilayer)
@@ -112,15 +97,4 @@ std::vector<double> BottomLayerCoordinates(const MultiLayer& multilayer)
}
return result;
}
-std::vector<double> GenerateZValues(int n_points, double z_min, double z_max)
-{
- std::vector<double> result;
- if (n_points < 1)
- return result;
- double step = n_points > 1 ? (z_max - z_min) / (n_points - 1) : 0.0;
- for (int i = 0; i < n_points; ++i) {
- result.push_back(z_min + i * step);
- }
- return result;
-}
} // unnamed namespace
diff --git a/Core/Computation/MultiLayerUtils.h b/Core/Computation/MultiLayerUtils.h
index d59eb159ad3..d4d41490aaa 100644
--- a/Core/Computation/MultiLayerUtils.h
+++ b/Core/Computation/MultiLayerUtils.h
@@ -15,7 +15,6 @@
#ifndef MULTILAYERUTILS_H
#define MULTILAYERUTILS_H
-#include "Complex.h"
#include "WinDllMacros.h"
#include <cstddef>
#include <vector>
@@ -48,10 +47,6 @@ BA_CORE_API_ bool ContainsCompatibleMaterials(const MultiLayer& multilayer);
//! Calculate z-regions occupied by particles
BA_CORE_API_ std::vector<ZLimits> ParticleRegions(const MultiLayer& multilayer, bool use_slicing);
-
-//! Calculate average material profile for given multilayer
-BA_CORE_API_ std::vector<complex_t> MaterialProfile(const MultiLayer& multilayer, int n_points,
- double z_min, double z_max);
} // namespace MultiLayerUtils
#endif // MULTILAYERUTILS_H
diff --git a/Core/Multilayer/MultiLayerFuncs.cpp b/Core/Multilayer/MultiLayerFuncs.cpp
new file mode 100644
index 00000000000..0a202d62631
--- /dev/null
+++ b/Core/Multilayer/MultiLayerFuncs.cpp
@@ -0,0 +1,49 @@
+// ************************************************************************** //
+//
+// BornAgain: simulate and fit scattering at grazing incidence
+//
+//! @file Core/Material/MultiLayerFuncs.cpp
+//! @brief Global functions related to MultiLayers.
+//!
+//! @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 "MultiLayerFuncs.h"
+#include "ProcessedSample.h"
+#include "ProfileHelper.h"
+#include "SimulationOptions.h"
+
+namespace
+{
+std::vector<double> GenerateZValues(int n_points, double z_min, double z_max);
+} // namespace
+
+std::vector<complex_t> MaterialProfile(const MultiLayer& multilayer, int n_points, double z_min,
+ double z_max)
+{
+ SimulationOptions options;
+ options.setUseAvgMaterials(true);
+ ProcessedSample sample(multilayer, options);
+ ProfileHelper helper(sample);
+ std::vector<double> z_values = GenerateZValues(n_points, z_min, z_max);
+ return helper.calculateProfile(z_values);
+}
+
+namespace
+{
+std::vector<double> GenerateZValues(int n_points, double z_min, double z_max)
+{
+ std::vector<double> result;
+ if (n_points < 1)
+ return result;
+ double step = n_points > 1 ? (z_max - z_min) / (n_points - 1) : 0.0;
+ for (int i = 0; i < n_points; ++i) {
+ result.push_back(z_min + i * step);
+ }
+ return result;
+}
+} // unnamed namespace
diff --git a/Core/Multilayer/MultiLayerFuncs.h b/Core/Multilayer/MultiLayerFuncs.h
new file mode 100644
index 00000000000..79ba2bb4ab1
--- /dev/null
+++ b/Core/Multilayer/MultiLayerFuncs.h
@@ -0,0 +1,31 @@
+// ************************************************************************** //
+//
+// BornAgain: simulate and fit scattering at grazing incidence
+//
+//! @file Core/Material/MultiLayerFuncs.h
+//! @brief Global functions related to MultiLayers.
+//!
+//! @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 MULTILAYERFUNCS_H_
+#define MULTILAYERFUNCS_H_
+
+#include "Complex.h"
+#include "WinDllMacros.h"
+#include <vector>
+
+class MultiLayer;
+
+//! @ingroup materials
+
+//! Calculate average material profile for given multilayer
+BA_CORE_API_ std::vector<complex_t> MaterialProfile(const MultiLayer& multilayer, int n_points,
+ double z_min, double z_max);
+
+
+#endif // MULTILAYERFUNCS_H_
diff --git a/Wrap/swig/libBornAgainCore.i b/Wrap/swig/libBornAgainCore.i
index 974d4b0520c..e2e53b55fad 100644
--- a/Wrap/swig/libBornAgainCore.i
+++ b/Wrap/swig/libBornAgainCore.i
@@ -194,6 +194,7 @@
#include "MathFunctions.h"
#include "MesoCrystal.h"
#include "MultiLayer.h"
+#include "MultiLayerFuncs.h"
#include "OffSpecSimulation.h"
#include "OutputData.h"
#include "ParameterDistribution.h"
@@ -447,6 +448,7 @@
%include "MaterialFactoryFuncs.h"
%include "MesoCrystal.h"
%include "MultiLayer.h"
+%include "MultiLayerFuncs.h"
%include "OffSpecSimulation.h"
%include "IIntensityFunction.h"
%include "OutputData.h"
diff --git a/auto/Wrap/libBornAgainCore.py b/auto/Wrap/libBornAgainCore.py
index beba795e4de..5d09ae2ca47 100644
--- a/auto/Wrap/libBornAgainCore.py
+++ b/auto/Wrap/libBornAgainCore.py
@@ -25365,6 +25365,10 @@ class MultiLayer(ISample):
MultiLayer_swigregister = _libBornAgainCore.MultiLayer_swigregister
MultiLayer_swigregister(MultiLayer)
+
+def MaterialProfile(multilayer, n_points, z_min, z_max):
+ """MaterialProfile(MultiLayer multilayer, int n_points, double z_min, double z_max) -> vector_complex_t"""
+ return _libBornAgainCore.MaterialProfile(multilayer, n_points, z_min, z_max)
class OffSpecSimulation(Simulation2D):
"""
diff --git a/auto/Wrap/libBornAgainCore_wrap.cpp b/auto/Wrap/libBornAgainCore_wrap.cpp
index 8547cf4218d..53f02443a2b 100644
--- a/auto/Wrap/libBornAgainCore_wrap.cpp
+++ b/auto/Wrap/libBornAgainCore_wrap.cpp
@@ -7328,6 +7328,7 @@ SWIGINTERN void std_vector_Sl_std_pair_Sl_double_Sc_double_Sg__Sg__insert__SWIG_
#include "MathFunctions.h"
#include "MesoCrystal.h"
#include "MultiLayer.h"
+#include "MultiLayerFuncs.h"
#include "OffSpecSimulation.h"
#include "OutputData.h"
#include "ParameterDistribution.h"
@@ -107113,6 +107114,58 @@ SWIGINTERN PyObject *MultiLayer_swigregister(PyObject *SWIGUNUSEDPARM(self), PyO
return SWIG_Py_Void();
}
+SWIGINTERN PyObject *_wrap_MaterialProfile(PyObject *SWIGUNUSEDPARM(self), PyObject *args) {
+ PyObject *resultobj = 0;
+ MultiLayer *arg1 = 0 ;
+ int arg2 ;
+ double arg3 ;
+ double arg4 ;
+ void *argp1 = 0 ;
+ int res1 = 0 ;
+ int val2 ;
+ int ecode2 = 0 ;
+ double val3 ;
+ int ecode3 = 0 ;
+ double val4 ;
+ int ecode4 = 0 ;
+ PyObject * obj0 = 0 ;
+ PyObject * obj1 = 0 ;
+ PyObject * obj2 = 0 ;
+ PyObject * obj3 = 0 ;
+ std::vector< complex_t,std::allocator< complex_t > > result;
+
+ if (!PyArg_ParseTuple(args,(char *)"OOOO:MaterialProfile",&obj0,&obj1,&obj2,&obj3)) SWIG_fail;
+ res1 = SWIG_ConvertPtr(obj0, &argp1, SWIGTYPE_p_MultiLayer, 0 | 0);
+ if (!SWIG_IsOK(res1)) {
+ SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "MaterialProfile" "', argument " "1"" of type '" "MultiLayer const &""'");
+ }
+ if (!argp1) {
+ SWIG_exception_fail(SWIG_ValueError, "invalid null reference " "in method '" "MaterialProfile" "', argument " "1"" of type '" "MultiLayer const &""'");
+ }
+ arg1 = reinterpret_cast< MultiLayer * >(argp1);
+ ecode2 = SWIG_AsVal_int(obj1, &val2);
+ if (!SWIG_IsOK(ecode2)) {
+ SWIG_exception_fail(SWIG_ArgError(ecode2), "in method '" "MaterialProfile" "', argument " "2"" of type '" "int""'");
+ }
+ arg2 = static_cast< int >(val2);
+ ecode3 = SWIG_AsVal_double(obj2, &val3);
+ if (!SWIG_IsOK(ecode3)) {
+ SWIG_exception_fail(SWIG_ArgError(ecode3), "in method '" "MaterialProfile" "', argument " "3"" of type '" "double""'");
+ }
+ arg3 = static_cast< double >(val3);
+ ecode4 = SWIG_AsVal_double(obj3, &val4);
+ if (!SWIG_IsOK(ecode4)) {
+ SWIG_exception_fail(SWIG_ArgError(ecode4), "in method '" "MaterialProfile" "', argument " "4"" of type '" "double""'");
+ }
+ arg4 = static_cast< double >(val4);
+ result = MaterialProfile((MultiLayer const &)*arg1,arg2,arg3,arg4);
+ resultobj = swig::from(static_cast< std::vector< std::complex< double >,std::allocator< std::complex< double > > > >(result));
+ return resultobj;
+fail:
+ return NULL;
+}
+
+
SWIGINTERN PyObject *_wrap_new_OffSpecSimulation__SWIG_0(PyObject *SWIGUNUSEDPARM(self), PyObject *args) {
PyObject *resultobj = 0;
OffSpecSimulation *result = 0 ;
@@ -137009,6 +137062,7 @@ static PyMethodDef SwigMethods[] = {
"\n"
""},
{ (char *)"MultiLayer_swigregister", MultiLayer_swigregister, METH_VARARGS, NULL},
+ { (char *)"MaterialProfile", _wrap_MaterialProfile, METH_VARARGS, (char *)"MaterialProfile(MultiLayer multilayer, int n_points, double z_min, double z_max) -> vector_complex_t"},
{ (char *)"new_OffSpecSimulation", _wrap_new_OffSpecSimulation, METH_VARARGS, (char *)"\n"
"OffSpecSimulation()\n"
"OffSpecSimulation(MultiLayer p_sample)\n"
--
GitLab