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Steve Williams authoredSteve Williams authored
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Q1D2Test.h 13.84 KiB
#ifndef Q1D2Test_H_
#define Q1D2Test_H_
#include <cxxtest/TestSuite.h>
#include "MantidAlgorithms/Q1D2.h"
#include "MantidAlgorithms/Rebin.h"
#include "MantidAlgorithms/ConvertUnits.h"
#include "MantidAlgorithms/CropWorkspace.h"
#include "MantidDataHandling/LoadRaw3.h"
#include "MantidDataHandling/LoadRKH.h"
#include <boost/math/special_functions/fpclassify.hpp>
#include "MantidTestHelpers/WorkspaceCreationHelper.h"
using namespace Mantid::API;
using namespace Mantid::Kernel;
using namespace Mantid::DataHandling;
/// data for the pixel (flood file) correction
static double flat_cell061Ys [] = {1.002863E+00, 1.032594E+00, 1.017332E+00, 1.062325E+00, 1.004316E+00, 1.041249E+00, 1.023080E+00,1.011716E+00, 1.012046E+00, 1.066157E+00, 9.934810E-01,1.087497E+00, 9.593894E-01, 1.060872E+00, 1.022618E+00, 1.054595E+00, 1.042901E+00, 1.064241E+00, 1.035699E+00, 1.048186E+00, 1.020834E+00, 1.063712E+00, 1.034774E+00, 1.025458E+00, 9.860153E-01, 1.044222E+00, 9.872045E-01, 1.046006E+00, 9.772280E-01, 1.011782E+00};
static double flat_cell061Es [] = {8.140295E-03, 8.260089E-03, 8.198814E-03, 8.378171E-03, 8.146192E-03, 8.294637E-03, 8.221945E-03,8.176151E-03, 8.177485E-03, 8.393270E-03, 8.102125E-03,8.476863E-03, 7.961886E-03, 8.372437E-03, 8.220086E-03, 8.347631E-03, 8.301214E-03, 8.385724E-03, 8.272501E-03, 8.322226E-03, 8.212913E-03, 8.383642E-03, 8.268805E-03, 8.231497E-03, 8.071622E-03, 8.306473E-03, 8.076489E-03, 8.313566E-03, 8.035571E-03, 8.176417E-03};
/// defined below this creates some input data
void createInputWorkspaces(int start, int end, Mantid::API::MatrixWorkspace_sptr & input, Mantid::API::MatrixWorkspace_sptr & wave, Mantid::API::MatrixWorkspace_sptr & pixels);
class Q1D2Test : public CxxTest::TestSuite
{
public:
void testStatics()
{
Mantid::Algorithms::Q1D2 Q1D2;
TS_ASSERT_EQUALS( Q1D2.name(), "Q1D" )
TS_ASSERT_EQUALS( Q1D2.version(), 2 )
TS_ASSERT_EQUALS( Q1D2.category(), "SANS" )
}
///Test that we can run without the an optional workspace
void testNoPixelAdj()
{
Mantid::Algorithms::Q1D2 Q1D2;
Q1D2.initialize();
const std::string outputWS("Q1D2Test_result");
TS_ASSERT_THROWS_NOTHING(
Q1D2.setProperty("DetBankWorkspace", m_inputWS);
Q1D2.setProperty("WavelengthAdj", m_wavNorm);
Q1D2.setPropertyValue("OutputWorkspace",outputWS);
Q1D2.setPropertyValue("OutputBinning","0,0.02,0.5");
// The property PixelAdj is undefined but that shouldn't cause this to throw
Q1D2.execute()
)
TS_ASSERT( Q1D2.isExecuted() )
Mantid::API::MatrixWorkspace_sptr result;
TS_ASSERT_THROWS_NOTHING( result = boost::dynamic_pointer_cast<Mantid::API::MatrixWorkspace>
(Mantid::API::AnalysisDataService::Instance().retrieve(outputWS)) )
TS_ASSERT_EQUALS( result->isDistribution(), true )
TS_ASSERT_EQUALS( result->getAxis(0)->unit()->unitID(), "MomentumTransfer" )
TS_ASSERT_EQUALS( result->getNumberHistograms(), 1 )
TS_ASSERT_EQUALS( result->readX(0).size(), 26 )
TS_ASSERT_DELTA( result->readX(0).front(), 0, 1e-5 )
TS_ASSERT_DELTA( result->readX(0)[6], 0.12, 1e-5)
TS_ASSERT_DELTA( result->readX(0).back(), 0.5, 1e-5 )
//values below taken from running the algorithm in the state it was excepted by the ISIS SANS in
//empty bins are 0/0
TS_ASSERT_DELTA( result->readY(0).front(), 2226533, 1 )
TS_ASSERT_DELTA( result->readY(0)[4], 946570.8, 0.1 ) TS_ASSERT( boost::math::isnan(result->readY(0)[18]) )
TS_ASSERT( boost::math::isnan(result->readY(0).back()) )
TS_ASSERT_DELTA( result->readE(0)[1], 57964.04, 0.01 )
TS_ASSERT_DELTA( result->readE(0)[5], 166712.6, 0.1 )
TS_ASSERT( boost::math::isnan(result->readE(0).back()) )
Mantid::API::AnalysisDataService::Instance().remove(outputWS);
}
void testPixelAdj()
{
Mantid::Algorithms::Q1D2 Q1D;
Q1D.initialize();
TS_ASSERT_THROWS_NOTHING(
Q1D.setProperty("DetBankWorkspace", m_inputWS);
Q1D.setProperty("WavelengthAdj", m_wavNorm);
Q1D.setProperty("PixelAdj", m_pixel);
Q1D.setPropertyValue("OutputWorkspace", m_noGrav);
Q1D.setPropertyValue("OutputBinning", "0.1,-0.02,0.5");
)
//#default is don't correct for gravity
TS_ASSERT_THROWS_NOTHING( Q1D.execute() )
TS_ASSERT( Q1D.isExecuted() )
Mantid::API::MatrixWorkspace_sptr result;
TS_ASSERT_THROWS_NOTHING( result = boost::dynamic_pointer_cast<Mantid::API::MatrixWorkspace>
(Mantid::API::AnalysisDataService::Instance().retrieve(m_noGrav)) )
TS_ASSERT(result)
TS_ASSERT_EQUALS( result->getNumberHistograms(), 1 )
TS_ASSERT_EQUALS( result->readX(0).size(), 83 )
TS_ASSERT_EQUALS( result->readX(0).front(), 0.1 )
TS_ASSERT_DELTA( result->readX(0)[3], 0.1061208, 1e-6 )
TS_ASSERT_DELTA( result->readX(0)[56], 0.3031165, 1e-5 )
TS_ASSERT_EQUALS( result->readX(0).back(), 0.5 )
TS_ASSERT_DELTA( result->readY(0).front(), 944237.8, 0.1 )
TS_ASSERT_DELTA( result->readY(0)[3], 1009296, 1 )
TS_ASSERT_DELTA( result->readY(0)[12], 620952.6, 0.1)
TS_ASSERT( boost::math::isnan(result->readY(0).back()) )
//empty bins are 0/0
TS_ASSERT_DELTA( result->readE(0)[2], 404981, 10 )
TS_ASSERT_DELTA( result->readE(0)[10], 489710.39, 100 )
TS_ASSERT( boost::math::isnan(result->readE(0)[7]) )
}
void testGravity()
{
Mantid::Algorithms::Q1D2 Q1D;
TS_ASSERT_THROWS_NOTHING( Q1D.initialize() );
TS_ASSERT( Q1D.isInitialized() )
const std::string outputWS("Q1D2Test_result");
TS_ASSERT_THROWS_NOTHING(
Q1D.setProperty("DetBankWorkspace", m_inputWS);
Q1D.setProperty("WavelengthAdj", m_wavNorm);
Q1D.setProperty("PixelAdj", m_pixel);
Q1D.setPropertyValue("OutputWorkspace", outputWS);
Q1D.setPropertyValue("OutputBinning", "0.1,-0.02,0.5");
Q1D.setPropertyValue("AccountForGravity", "1");
Q1D.execute()
)
TS_ASSERT( Q1D.isExecuted() )
Mantid::API::MatrixWorkspace_sptr gravity, refNoGrav = boost::dynamic_pointer_cast<Mantid::API::MatrixWorkspace>
(Mantid::API::AnalysisDataService::Instance().retrieve(m_noGrav));
TS_ASSERT_THROWS_NOTHING(
gravity = boost::dynamic_pointer_cast<Mantid::API::MatrixWorkspace>
(Mantid::API::AnalysisDataService::Instance().retrieve(outputWS)) )
TS_ASSERT(refNoGrav)
//TODO: Re-enable this line. Disabled by Janik Zikovsky Jul 1, 2011 because I didn't know what the test was.
//TS_ASSERT_EQUALS( (*(gravity->getAxis(1)))(0), (*(refNoGrav->getAxis(1)))(0) )
TS_ASSERT_EQUALS( gravity->readX(0).size(), refNoGrav->readX(0).size() )
TS_ASSERT_EQUALS( gravity->readX(0)[55], refNoGrav->readX(0)[55] )
TS_ASSERT_DELTA( gravity->readY(0)[3], 1009296.4, 0.8 )
TS_ASSERT_DELTA( gravity->readY(0)[10], 891346.9, 0.1 )
TS_ASSERT( boost::math::isnan(gravity->readY(0)[78]) )
TS_ASSERT_DELTA( gravity->readE(0).front(), 329383, 1 )
TS_ASSERT_DELTA( gravity->readE(0)[10], 489710, 1 )
TS_ASSERT( boost::math::isnan(gravity->readE(0)[77]) )
Mantid::API::AnalysisDataService::Instance().remove(outputWS);
}
void testCuts()
{
Mantid::Algorithms::Q1D2 Q1D;
Q1D.initialize();
const std::string outputWS("Q1D2Test_result");
TS_ASSERT_THROWS_NOTHING(
Q1D.setProperty("DetBankWorkspace", m_inputWS);
Q1D.setProperty("WavelengthAdj", m_wavNorm);
Q1D.setProperty("PixelAdj", m_pixel);
Q1D.setPropertyValue("OutputWorkspace", outputWS);
Q1D.setPropertyValue("OutputBinning", "0.1,-0.02,0.5");
Q1D.setProperty("RadiusCut", 0.22);
Q1D.setProperty("WaveCut", 8.0);
)
//#default is don't correct for gravity
TS_ASSERT_THROWS_NOTHING( Q1D.execute() )
TS_ASSERT( Q1D.isExecuted() )
Mantid::API::MatrixWorkspace_sptr result;
TS_ASSERT_THROWS_NOTHING( result = boost::dynamic_pointer_cast<Mantid::API::MatrixWorkspace>
(Mantid::API::AnalysisDataService::Instance().retrieve(outputWS)) )
TS_ASSERT(result)
TS_ASSERT_EQUALS( result->getNumberHistograms(), 1 )
TS_ASSERT_EQUALS( result->readX(0).size(), 83 )
TS_ASSERT_EQUALS( result->readX(0).front(), 0.1 )
TS_ASSERT_DELTA( result->readX(0)[3], 0.1061208, 1e-6 )
TS_ASSERT_DELTA( result->readX(0)[56], 0.3031165, 1e-5 )
TS_ASSERT_EQUALS( result->readX(0).back(), 0.5 )
TS_ASSERT_DELTA( result->readY(0).front(), 1192471.95, 0.1 )
TS_ASSERT( boost::math::isnan(result->readY(0)[3]))
TS_ASSERT_DELTA( result->readY(0)[12], 503242.79, 0.1)
TS_ASSERT( boost::math::isnan(result->readY(0).back()) )
TS_ASSERT_DELTA( result->readE(0)[2], 404981, 1 )
TS_ASSERT_DELTA( result->readE(0)[10], 489710, 100 )
TS_ASSERT( boost::math::isnan(result->readE(0)[7]) )
}
// here the cut parameters are set but should only affect detectors with lower R
void testNoCuts()
{
Mantid::Algorithms::Q1D2 Q1D; Q1D.initialize();
const std::string outputWS("Q1D2Test_result");
TS_ASSERT_THROWS_NOTHING(
Q1D.setProperty("DetBankWorkspace", m_inputWS);
Q1D.setProperty("WavelengthAdj", m_wavNorm);
Q1D.setProperty("PixelAdj", m_pixel);
Q1D.setPropertyValue("OutputWorkspace", outputWS);
Q1D.setPropertyValue("OutputBinning", "0.1,-0.02,0.5");
//this raduis is too small to exclude anything
Q1D.setProperty("RadiusCut", 0.05);
//this is the entire wavelength range
Q1D.setProperty("WaveCut", 30.0);
)
TS_ASSERT_THROWS_NOTHING( Q1D.execute() )
TS_ASSERT( Q1D.isExecuted() )
Mantid::API::MatrixWorkspace_sptr nocuts, noGrav =
boost::dynamic_pointer_cast<Mantid::API::MatrixWorkspace>
(Mantid::API::AnalysisDataService::Instance().retrieve(m_noGrav));
TS_ASSERT_THROWS_NOTHING(
nocuts = boost::dynamic_pointer_cast<Mantid::API::MatrixWorkspace>
(Mantid::API::AnalysisDataService::Instance().retrieve(outputWS)) )
TS_ASSERT(nocuts)
TS_ASSERT_EQUALS( nocuts->getNumberHistograms(), 1 )
for ( size_t i = 0; i < nocuts->readY(0).size(); ++i )
{
TS_ASSERT_EQUALS( nocuts->readX(0)[i], noGrav->readX(0)[i] )
if ( ! boost::math::isnan(nocuts->readY(0)[i]) )
{
TS_ASSERT_EQUALS( nocuts->readY(0)[i], noGrav->readY(0)[i] )
TS_ASSERT_EQUALS( nocuts->readE(0)[i], noGrav->readE(0)[i] )
}
}
Mantid::API::AnalysisDataService::Instance().remove(m_noGrav);
}
void testInvalidInput()
{
Mantid::Algorithms::Q1D2 Q1D;
Q1D.initialize();
//this is a small change to the normalization workspace that should be enough to stop progress
Mantid::MantidVec & xData = m_wavNorm->dataX(0);
xData[15] += 0.001;
const std::string outputWS("Q1D2Test_invalid_result");
TS_ASSERT_THROWS_NOTHING(
Q1D.setProperty("DetBankWorkspace", m_inputWS);
Q1D.setProperty("WavelengthAdj", m_wavNorm);
Q1D.setPropertyValue("OutputWorkspace", outputWS);
Q1D.setPropertyValue("OutputBinning", "0.1,-0.02,0.5");
Q1D.setPropertyValue("AccountForGravity", "1");
)
TS_ASSERT( ! Q1D.isExecuted() )
}
///stop the constructor from being run every time algorithms test suit is initialised
static Q1D2Test *createSuite() { return new Q1D2Test(); }
static void destroySuite(Q1D2Test *suite) { delete suite; }
Q1D2Test() : m_noGrav("Q1D2Test_no_gravity_result")
{
// create the input workspaces with a few spectra
createInputWorkspaces(8603, 8632, m_inputWS, m_wavNorm, m_pixel);
}
private:
Mantid::API::MatrixWorkspace_sptr m_inputWS, m_wavNorm, m_pixel;
std::string m_noGrav;
};
void createInputWorkspaces(int start, int end, Mantid::API::MatrixWorkspace_sptr & input, Mantid::API::MatrixWorkspace_sptr & wave, Mantid::API::MatrixWorkspace_sptr & pixels)
{
std::string wsName("Q1D2Test_inputworkspace"), wavNorm("Q1D2Test_wave");
LoadRaw3 loader;
loader.initialize();
loader.setPropertyValue("Filename","LOQ48097.raw");
loader.setPropertyValue("OutputWorkspace", wavNorm);
loader.setProperty("LoadLogFiles", false);
loader.setProperty("SpectrumMin", start);
loader.setProperty("SpectrumMax", end);
loader.execute();
Mantid::Algorithms::ConvertUnits convert;
convert.initialize();
convert.setPropertyValue("InputWorkspace",wavNorm);
convert.setPropertyValue("OutputWorkspace",wavNorm);
convert.setPropertyValue("Target","Wavelength");
convert.execute();
Mantid::Algorithms::Rebin rebin;
rebin.initialize();
rebin.setPropertyValue("InputWorkspace", wavNorm);
rebin.setPropertyValue("OutputWorkspace", wavNorm);
rebin.setPropertyValue("Params","0,0.5,30");
rebin.execute();
Mantid::Algorithms::CropWorkspace crop;
crop.initialize();
crop.setPropertyValue("InputWorkspace", wavNorm);
crop.setPropertyValue("OutputWorkspace",wsName);
crop.setPropertyValue("StartWorkspaceIndex","1");
crop.execute();
crop.setPropertyValue("InputWorkspace", wavNorm);
crop.setPropertyValue("OutputWorkspace", wavNorm);
crop.setPropertyValue("StartWorkspaceIndex","0");
crop.setPropertyValue("EndWorkspaceIndex","0");
crop.execute();
input = boost::dynamic_pointer_cast<Mantid::API::MatrixWorkspace>(
Mantid::API::AnalysisDataService::Instance().retrieve(wsName));
wave = boost::dynamic_pointer_cast<Mantid::API::MatrixWorkspace>(
Mantid::API::AnalysisDataService::Instance().retrieve(wavNorm));
pixels = WorkspaceCreationHelper::Create2DWorkspaceBinned(29, 1);
for ( int i = 0; i < 29; ++i)
{
pixels->dataY(i)[0] = flat_cell061Ys[i];
pixels->dataE(i)[0] = flat_cell061Es[i];
}
AnalysisDataService::Instance().add("Q1DTest_flat_file", pixels);
}
#endif /*Q1D2Test_H_*/