From 29cca6fc73b70a1d623b6ff84cca0c6a57bebb00 Mon Sep 17 00:00:00 2001
From: "Joachim Wuttke (h)" <j.wuttke@fz-juelich.de>
Date: Thu, 10 Dec 2020 12:57:29 +0100
Subject: [PATCH] ongoing corrections
---
Device/Data/DataUtils.cpp | 6 +-
Device/Data/DataUtils.h | 6 +-
Device/Histo/HistoUtils.cpp | 2 +-
.../Core/CoreSpecial/BatchSimulation.cpp | 2 +-
.../Core/CoreSpecial/CoreIOPathTest.cpp | 2 +-
.../CoreSpecial/FourierTransformationTest.cpp | 2 +-
.../Python/PyPersistence/CMakeLists.txt | 85 +++++++++----------
.../Python/PyPersistence/PyPersistence.py.in | 2 +-
Tests/UnitTests/GUI/Utils.cpp | 2 +-
auto/Wrap/doxygenDevice.i | 10 +--
auto/Wrap/libBornAgainDevice.py | 10 +++
auto/Wrap/libBornAgainDevice_wrap.cpp | 43 ++++++++++
12 files changed, 109 insertions(+), 63 deletions(-)
diff --git a/Device/Data/DataUtils.cpp b/Device/Data/DataUtils.cpp
index 9bcd7511e55..9b67b58d4b0 100644
--- a/Device/Data/DataUtils.cpp
+++ b/Device/Data/DataUtils.cpp
@@ -30,8 +30,8 @@ std::vector<std::vector<double>> FT2DArray(const std::vector<std::vector<double>
} // namespace
//! Returns relative difference between two data sets sum(dat[i] - ref[i])/ref[i]).
-double DataUtils::getRelativeDifference(const OutputData<double>& dat,
- const OutputData<double>& ref) {
+double DataUtils::relativeDataDifference(const OutputData<double>& dat,
+ const OutputData<double>& ref) {
if (!dat.hasSameDimensions(ref))
throw std::runtime_error("OutputData dimension differs from reference");
@@ -47,7 +47,7 @@ double DataUtils::getRelativeDifference(const OutputData<double>& dat,
//! Returns true is relative difference is below threshold; prints informative output
bool DataUtils::checkRelativeDifference(const OutputData<double>& dat,
const OutputData<double>& ref, const double threshold) {
- const double diff = getRelativeDifference(dat, ref);
+ const double diff = relativeDataDifference(dat, ref);
if (diff > threshold) {
std::cerr << "FAILED: relative deviation of dat from ref is " << diff
<< ", above given threshold " << threshold << "\n";
diff --git a/Device/Data/DataUtils.h b/Device/Data/DataUtils.h
index 3b05ea509d4..efdd2c008fd 100644
--- a/Device/Data/DataUtils.h
+++ b/Device/Data/DataUtils.h
@@ -20,6 +20,9 @@
namespace DataUtils {
+//! Returns relative difference between two data sets sum(dat[i] - ref[i])/ref[i]).
+double relativeDataDifference(const OutputData<double>& dat, const OutputData<double>& ref);
+
//! Returns true is relative difference is below threshold; prints informative output
bool checkRelativeDifference(const OutputData<double>& dat, const OutputData<double>& ref,
const double threshold);
@@ -41,9 +44,6 @@ std::vector<std::vector<double>> create2DArrayfromOutputData(const OutputData<do
#ifndef SWIG
-//! Returns relative difference between two data sets sum(dat[i] - ref[i])/ref[i]).
-double getRelativeDifference(const OutputData<double>& dat, const OutputData<double>& ref);
-
std::unique_ptr<OutputData<double>>
createRelativeDifferenceData(const OutputData<double>& data, const OutputData<double>& reference);
diff --git a/Device/Histo/HistoUtils.cpp b/Device/Histo/HistoUtils.cpp
index 30a4428f684..e2ed7f7e71d 100644
--- a/Device/Histo/HistoUtils.cpp
+++ b/Device/Histo/HistoUtils.cpp
@@ -67,7 +67,7 @@ double HistoUtils::RelativeDifference(const SimulationResult& dat, const Simulat
}
double HistoUtils::getRelativeDifference(const IHistogram& dat, const IHistogram& ref) {
- return DataUtils::getRelativeDifference(
+ return DataUtils::relativeDataDifference(
*std::unique_ptr<OutputData<double>>(dat.getData().meanValues()),
*std::unique_ptr<OutputData<double>>(ref.getData().meanValues()));
}
diff --git a/Tests/Functional/Core/CoreSpecial/BatchSimulation.cpp b/Tests/Functional/Core/CoreSpecial/BatchSimulation.cpp
index 1b21254f9f7..46940579d4d 100644
--- a/Tests/Functional/Core/CoreSpecial/BatchSimulation.cpp
+++ b/Tests/Functional/Core/CoreSpecial/BatchSimulation.cpp
@@ -49,7 +49,7 @@ TEST_F(BatchSimulation, BatchSimulation) {
*result += *batchResult;
}
- double diff = DataUtils::getRelativeDifference(*result, *reference);
+ double diff = DataUtils::relativeDataDifference(*result, *reference);
EXPECT_LE(diff, threshold);
}
diff --git a/Tests/Functional/Core/CoreSpecial/CoreIOPathTest.cpp b/Tests/Functional/Core/CoreSpecial/CoreIOPathTest.cpp
index ba89ef97adb..580f3f30a3e 100644
--- a/Tests/Functional/Core/CoreSpecial/CoreIOPathTest.cpp
+++ b/Tests/Functional/Core/CoreSpecial/CoreIOPathTest.cpp
@@ -33,7 +33,7 @@ std::unique_ptr<OutputData<double>> createTestData() {
bool test_io(const OutputData<double>* data, const std::string& file_name) {
IntensityDataIOFactory::writeOutputData(*data, file_name);
std::unique_ptr<OutputData<double>> loaded(IntensityDataIOFactory::readOutputData(file_name));
- return DataUtils::getRelativeDifference(*data, *loaded) <= 1e-06;
+ return DataUtils::relativeDataDifference(*data, *loaded) <= 1e-06;
}
} // namespace
diff --git a/Tests/Functional/Core/CoreSpecial/FourierTransformationTest.cpp b/Tests/Functional/Core/CoreSpecial/FourierTransformationTest.cpp
index e99b636fd63..33a1175367c 100644
--- a/Tests/Functional/Core/CoreSpecial/FourierTransformationTest.cpp
+++ b/Tests/Functional/Core/CoreSpecial/FourierTransformationTest.cpp
@@ -62,7 +62,7 @@ bool test_fft(const std::string& input_image_name, const std::string& reference_
std::cout << "comparing" << std::endl;
bool success(false);
if (reference_fft)
- success = DataUtils::getRelativeDifference(*fft, *reference_fft) <= threshold;
+ success = DataUtils::relativeDataDifference(*fft, *reference_fft) <= threshold;
if (!success) {
FileSystemUtils::createDirectory(BATesting::TestOutDir_Core());
diff --git a/Tests/Functional/Python/PyPersistence/CMakeLists.txt b/Tests/Functional/Python/PyPersistence/CMakeLists.txt
index 00a6defb321..4df473168a4 100644
--- a/Tests/Functional/Python/PyPersistence/CMakeLists.txt
+++ b/Tests/Functional/Python/PyPersistence/CMakeLists.txt
@@ -22,50 +22,43 @@ function(test_example example tolerance)
add_test(${test_name} ${Python3_EXECUTABLE} -B ${example_mod})
endfunction()
-test_example(sim01_Particles/CylindersAndPrisms 2e-10)
-test_example(sim01_Particles/CylindersInBA 2e-10)
-test_example(sim01_Particles/CylindersInDWBA 2e-10)
-test_example(sim01_Particles/CylindersWithSizeDistribution 2e-10)
-test_example(sim01_Particles/RotatedPyramids 2e-10)
-test_example(sim01_Particles/TwoTypesOfCylindersWithSizeDistribution 2e-10)
+test_example(scatter2d/ApproximationDA 2e-10)
+test_example(scatter2d/ApproximationLMA 2e-10)
+test_example(scatter2d/ApproximationSSCA 2e-10)
+test_example(scatter2d/BeamDivergence 2e-10)
+test_example(scatter2d/BuriedParticles 2e-10)
+test_example(scatter2d/ConstantBackground 2e-10)
+test_example(scatter2d/CoreShellNanoparticles 2e-10)
+test_example(scatter2d/CorrelatedRoughness 2e-10)
+test_example(scatter2d/CosineRipplesAtRectLattice 2e-10)
+test_example(scatter2d/CylindersAndPrisms 2e-10)
+test_example(scatter2d/CylindersInAverageLayer 2e-10)
+test_example(scatter2d/CylindersInBA 2e-10)
+test_example(scatter2d/CylindersInDWBA 2e-10)
+test_example(scatter2d/CylindersWithSizeDistribution 2e-10)
+test_example(scatter2d/DetectorResolutionFunction 2e-10)
+test_example(scatter2d/HalfSpheresInAverageTopLayer 2e-10)
+test_example(scatter2d/HexagonalLatticesWithBasis 2e-10)
+test_example(scatter2d/Interference1DRadialParaCrystal 2e-10)
+test_example(scatter2d/Interference2DCenteredSquareLattice 2e-10)
+test_example(scatter2d/Interference2DLatticeSumOfRotated 2e-10)
+test_example(scatter2d/Interference2DParaCrystal 2e-10)
+test_example(scatter2d/Interference2DRotatedSquareLattice 2e-10)
+test_example(scatter2d/Interference2DSquareLattice 2e-10)
+test_example(scatter2d/MagneticSpheres 2e-10)
+test_example(scatter2d/RectangularGrating 0.5)
+test_example(scatter2d/RotatedPyramids 2e-10)
+test_example(scatter2d/SpheresAtHexLattice 2e-10)
+test_example(scatter2d/TriangularRipple 2e-10)
+test_example(scatter2d/TwoTypesOfCylindersWithSizeDistribution 2e-10)
-test_example(sim02_Complexes/CoreShellNanoparticles 2e-10)
-test_example(sim02_Complexes/CustomFormFactor 2e-10)
-test_example(sim02_Complexes/HexagonalLatticesWithBasis 2e-10)
-
-test_example(sim03_Structures/ApproximationDA 2e-10)
-test_example(sim03_Structures/ApproximationLMA 2e-10)
-test_example(sim03_Structures/ApproximationSSCA 2e-10)
-test_example(sim03_Structures/CosineRipplesAtRectLattice 2e-10)
-test_example(sim03_Structures/Interference1DLattice 1.5)
-test_example(sim03_Structures/Interference1DRadialParaCrystal 2e-10)
-test_example(sim03_Structures/Interference2DCenteredSquareLattice 2e-10)
-test_example(sim03_Structures/Interference2DParaCrystal 2e-10)
-test_example(sim03_Structures/Interference2DRotatedSquareLattice 2e-10)
-test_example(sim03_Structures/Interference2DSquareLattice 2e-10)
-test_example(sim03_Structures/Interference2DLatticeSumOfRotated 2e-10)
-test_example(sim03_Structures/RectangularGrating 0.5)
-test_example(sim03_Structures/SpheresAtHexLattice 2e-10)
-test_example(sim03_Structures/TriangularRipple 2e-10)
-
-test_example(sim04_Multilayers/BuriedParticles 2e-10)
-test_example(sim04_Multilayers/CorrelatedRoughness 2e-10)
-test_example(sim04_Multilayers/CylindersInAverageLayer 2e-10)
-test_example(sim04_Multilayers/HalfSpheresInAverageTopLayer 2e-10)
-
-test_example(sim05_Magnetism/MagneticSpheres 2e-10)
-
-test_example(sim11_Device/BeamDivergence 2e-10)
-test_example(sim11_Device/DetectorResolutionFunction 2e-10)
-test_example(sim11_Device/OffSpecularSimulation 2e-10)
-test_example(sim11_Device/ConstantBackground 2e-10)
-
-test_example(sim21_Reflectometry/BasicSpecularSimulation 2e-10)
-test_example(sim21_Reflectometry/BeamAngularDivergence 2e-10)
-test_example(sim21_Reflectometry/BeamFullDivergence 2e-10)
-test_example(sim21_Reflectometry/TimeOfFlightReflectometry 2e-10)
-test_example(sim21_Reflectometry/TOFRWithResolution 2e-10)
-
-test_example(special40_DepthProbe/DepthProbe 2e-10)
-
-test_example(sim31_Parameterization/SimulationParameters 2e-10)
+test_example(varia/BasicSpecularSimulation 2e-10)
+test_example(varia/BeamAngularDivergence 2e-10)
+test_example(varia/BeamFullDivergence 2e-10)
+test_example(varia/CustomFormFactor 2e-10)
+test_example(varia/DepthProbe 2e-10)
+test_example(varia/Interference1DLattice 1.5)
+test_example(varia/OffSpecularSimulation 2e-10)
+test_example(varia/SimulationParameters 2e-10)
+test_example(varia/TOFRWithResolution 2e-10)
+test_example(varia/TimeOfFlightReflectometry 2e-10)
diff --git a/Tests/Functional/Python/PyPersistence/PyPersistence.py.in b/Tests/Functional/Python/PyPersistence/PyPersistence.py.in
index 51a877e2002..a2b1d365be5 100644
--- a/Tests/Functional/Python/PyPersistence/PyPersistence.py.in
+++ b/Tests/Functional/Python/PyPersistence/PyPersistence.py.in
@@ -149,7 +149,7 @@ def check_result(result, example_name):
print("Loading reference file '{}'".format(reffile))
reference = ba.IntensityDataIOFactory.readOutputData(reffile)
- diff = ba.getRelativeDifference(ba.importArrayToOutputData(result.array()), reference)
+ diff = ba.relativeDataDifference(ba.importArrayToOutputData(result.array()), reference)
if diff > TOLERANCE:
print("Failure - Difference {0} is above tolerance level {1}".format(diff, TOLERANCE))
diff --git a/Tests/UnitTests/GUI/Utils.cpp b/Tests/UnitTests/GUI/Utils.cpp
index b61db960f8d..9b53cef3ec4 100644
--- a/Tests/UnitTests/GUI/Utils.cpp
+++ b/Tests/UnitTests/GUI/Utils.cpp
@@ -54,7 +54,7 @@ RealDataItem* GuiUnittestUtils::createRealData(const QString& name, SessionModel
}
bool GuiUnittestUtils::isTheSame(const OutputData<double>& data1, const OutputData<double>& data2) {
- double diff = DataUtils::getRelativeDifference(data1, data2);
+ double diff = DataUtils::relativeDataDifference(data1, data2);
return diff < 1e-10;
}
diff --git a/auto/Wrap/doxygenDevice.i b/auto/Wrap/doxygenDevice.i
index c5ed4c48cb0..00765ed9352 100644
--- a/auto/Wrap/doxygenDevice.i
+++ b/auto/Wrap/doxygenDevice.i
@@ -3093,6 +3093,11 @@ Parse double values from string to vector of double.
// File: namespaceDataUtils.xml
+%feature("docstring") DataUtils::relativeDataDifference "double DataUtils::relativeDataDifference(const OutputData< double > &dat, const OutputData< double > &ref)
+
+Returns relative difference between two data sets sum(dat[i] - ref[i])/ref[i]).
+";
+
%feature("docstring") DataUtils::checkRelativeDifference "bool DataUtils::checkRelativeDifference(const OutputData< double > &dat, const OutputData< double > &ref, const double threshold)
Returns true is relative difference is below threshold; prints informative output.
@@ -3123,11 +3128,6 @@ Transforms x,y coordinate from bin-fraction-coordinates to OutputData's axes co
Creates a vector of vectors of double (2D Array) from OutputData.
";
-%feature("docstring") DataUtils::getRelativeDifference "double DataUtils::getRelativeDifference(const OutputData< double > &dat, const OutputData< double > &ref)
-
-Returns relative difference between two data sets sum(dat[i] - ref[i])/ref[i]).
-";
-
%feature("docstring") DataUtils::createRelativeDifferenceData "std::unique_ptr< OutputData< double > > DataUtils::createRelativeDifferenceData(const OutputData< double > &data, const OutputData< double > &reference)
";
diff --git a/auto/Wrap/libBornAgainDevice.py b/auto/Wrap/libBornAgainDevice.py
index 3ffa4ce078f..2f65ed26775 100644
--- a/auto/Wrap/libBornAgainDevice.py
+++ b/auto/Wrap/libBornAgainDevice.py
@@ -2616,6 +2616,16 @@ class IntensityData(object):
_libBornAgainDevice.IntensityData_swigregister(IntensityData)
+def relativeDataDifference(dat, ref):
+ r"""
+ relativeDataDifference(IntensityData dat, IntensityData ref) -> double
+ double DataUtils::relativeDataDifference(const OutputData< double > &dat, const OutputData< double > &ref)
+
+ Returns relative difference between two data sets sum(dat[i] - ref[i])/ref[i]).
+
+ """
+ return _libBornAgainDevice.relativeDataDifference(dat, ref)
+
def checkRelativeDifference(dat, ref, threshold):
r"""
checkRelativeDifference(IntensityData dat, IntensityData ref, double const threshold) -> bool
diff --git a/auto/Wrap/libBornAgainDevice_wrap.cpp b/auto/Wrap/libBornAgainDevice_wrap.cpp
index 6ecaa195c40..39d3b01cb6d 100644
--- a/auto/Wrap/libBornAgainDevice_wrap.cpp
+++ b/auto/Wrap/libBornAgainDevice_wrap.cpp
@@ -30489,6 +30489,42 @@ SWIGINTERN PyObject *IntensityData_swiginit(PyObject *SWIGUNUSEDPARM(self), PyOb
return SWIG_Python_InitShadowInstance(args);
}
+SWIGINTERN PyObject *_wrap_relativeDataDifference(PyObject *SWIGUNUSEDPARM(self), PyObject *args) {
+ PyObject *resultobj = 0;
+ OutputData< double > *arg1 = 0 ;
+ OutputData< double > *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, "relativeDataDifference", 2, 2, swig_obj)) SWIG_fail;
+ res1 = SWIG_ConvertPtr(swig_obj[0], &argp1, SWIGTYPE_p_OutputDataT_double_t, 0 | 0);
+ if (!SWIG_IsOK(res1)) {
+ SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "relativeDataDifference" "', argument " "1"" of type '" "OutputData< double > const &""'");
+ }
+ if (!argp1) {
+ SWIG_exception_fail(SWIG_ValueError, "invalid null reference " "in method '" "relativeDataDifference" "', argument " "1"" of type '" "OutputData< double > const &""'");
+ }
+ arg1 = reinterpret_cast< OutputData< double > * >(argp1);
+ res2 = SWIG_ConvertPtr(swig_obj[1], &argp2, SWIGTYPE_p_OutputDataT_double_t, 0 | 0);
+ if (!SWIG_IsOK(res2)) {
+ SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "relativeDataDifference" "', argument " "2"" of type '" "OutputData< double > const &""'");
+ }
+ if (!argp2) {
+ SWIG_exception_fail(SWIG_ValueError, "invalid null reference " "in method '" "relativeDataDifference" "', argument " "2"" of type '" "OutputData< double > const &""'");
+ }
+ arg2 = reinterpret_cast< OutputData< double > * >(argp2);
+ result = (double)DataUtils::relativeDataDifference((OutputData< double > const &)*arg1,(OutputData< double > const &)*arg2);
+ resultobj = SWIG_From_double(static_cast< double >(result));
+ return resultobj;
+fail:
+ return NULL;
+}
+
+
SWIGINTERN PyObject *_wrap_checkRelativeDifference(PyObject *SWIGUNUSEDPARM(self), PyObject *args) {
PyObject *resultobj = 0;
OutputData< double > *arg1 = 0 ;
@@ -45683,6 +45719,13 @@ static PyMethodDef SwigMethods[] = {
{ "IntensityData___setitem__", _wrap_IntensityData___setitem__, METH_VARARGS, "IntensityData___setitem__(IntensityData self, unsigned int i, double value) -> double"},
{ "IntensityData_swigregister", IntensityData_swigregister, METH_O, NULL},
{ "IntensityData_swiginit", IntensityData_swiginit, METH_VARARGS, NULL},
+ { "relativeDataDifference", _wrap_relativeDataDifference, METH_VARARGS, "\n"
+ "relativeDataDifference(IntensityData dat, IntensityData ref) -> double\n"
+ "double DataUtils::relativeDataDifference(const OutputData< double > &dat, const OutputData< double > &ref)\n"
+ "\n"
+ "Returns relative difference between two data sets sum(dat[i] - ref[i])/ref[i]). \n"
+ "\n"
+ ""},
{ "checkRelativeDifference", _wrap_checkRelativeDifference, METH_VARARGS, "\n"
"checkRelativeDifference(IntensityData dat, IntensityData ref, double const threshold) -> bool\n"
"bool DataUtils::checkRelativeDifference(const OutputData< double > &dat, const OutputData< double > &ref, const double threshold)\n"
--
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