diff --git a/Code/Mantid/Framework/MDEvents/CMakeLists.txt b/Code/Mantid/Framework/MDEvents/CMakeLists.txt
index a5d5dff82ccc19de449650737a9aaf8b0a097fcb..c841512a44cfa7e1ea3ccec77e4305c5447945eb 100644
--- a/Code/Mantid/Framework/MDEvents/CMakeLists.txt
+++ b/Code/Mantid/Framework/MDEvents/CMakeLists.txt
@@ -162,6 +162,7 @@ set ( TEST_FILES
QueryMDWorkspaceTest.h
ReflectometryTransformQxQzTest.h
Integrate3DEventsTest.h
+# IntegrateEllipsoidsTest.h
SaveIsawQvectorTest.h
SkippingPolicyTest.h
UnitsConversionHelperTest.h
diff --git a/Code/Mantid/Framework/MDEvents/src/Integrate3DEvents.cpp b/Code/Mantid/Framework/MDEvents/src/Integrate3DEvents.cpp
index aafa49771813d75ed87ea055dae9debeb0cf5370..161d9564137cd4b3c57255c60cd64bcacb50b7d4 100644
--- a/Code/Mantid/Framework/MDEvents/src/Integrate3DEvents.cpp
+++ b/Code/Mantid/Framework/MDEvents/src/Integrate3DEvents.cpp
@@ -130,7 +130,6 @@ void Integrate3DEvents::ellipseIntegrateEvents(
long hkl_key = getHklKey( peak_q );
if ( hkl_key == 0 )
{
- std::cout << "HKL KEY IS 0 " << std::endl;
return;
}
@@ -138,7 +137,6 @@ void Integrate3DEvents::ellipseIntegrateEvents(
if ( some_events.size() < 3 ) // if there are not enough events to
{ // find covariance matrix, return
- std::cout << "TOO FEW EVENTS: " << some_events.size() << std::endl;
return;
}
@@ -159,31 +157,23 @@ void Integrate3DEvents::ellipseIntegrateEvents(
{
if ( (boost::math::isnan)( sigmas[i]) )
{
- std::cout << " SIGMA isNaN ";
invalid_peak = true;
}
else if ( sigmas[i] <= 0 )
{
- std::cout << " SIGMA <= 0 ";
invalid_peak = true;
}
}
if ( invalid_peak ) // if data collapses to a line or
{ // to a plane, the volume of the
- inti = 0.0; // ellipsoids will be zero.
- sigi = 0.0;
+ return; // ellipsoids will be zero.
}
- else
- {
- ellipseIntegrateEvents(some_events, eigen_vectors, sigmas,
- specify_size, peak_radius,
- back_inner_radius, back_outer_radius,
- inti, sigi);
- }
-
- if ( invalid_peak )
- std::cout << "INVALID_PEAK " << inti << ", " << sigi << std::endl;
+
+ ellipseIntegrateEvents(some_events, eigen_vectors, sigmas,
+ specify_size, peak_radius,
+ back_inner_radius, back_outer_radius,
+ inti, sigi);
}
diff --git a/Code/Mantid/Framework/MDEvents/test/IntegrateEllipsoidsTest.h b/Code/Mantid/Framework/MDEvents/test/IntegrateEllipsoidsTest.h
new file mode 100644
index 0000000000000000000000000000000000000000..428507d97498142324fd9814ece52f9d1c605540
--- /dev/null
+++ b/Code/Mantid/Framework/MDEvents/test/IntegrateEllipsoidsTest.h
@@ -0,0 +1,138 @@
+#ifndef MANTID_MDEVENTS_INTEGRATE_ELLIPSOIDS_TEST_H_
+#define MANTID_MDEVENTS_INTEGRATE_ELLIPSOIDS_TEST_H_
+
+#include <iostream>
+#include <fstream>
+
+
+#include <cxxtest/TestSuite.h>
+#include <Poco/File.h>
+#include "MantidAPI/AnalysisDataService.h"
+#include "MantidDataObjects/EventWorkspace.h"
+#include "MantidDataObjects/PeaksWorkspace.h"
+#include "MantidMDEvents/IntegrateEllipsoids.h"
+#include "MantidTestHelpers/MDEventsTestHelper.h"
+
+
+#include "MantidAPI/FrameworkManager.h"
+#include "MantidAPI/AlgorithmFactory.h"
+
+#include "MantidDataHandling/LoadNexus.h"
+#include "MantidDataObjects/WorkspaceSingleValue.h"
+#include "MantidDataHandling/LoadInstrument.h"
+
+using Mantid::API::AnalysisDataService;
+using Mantid::MDEvents::IntegrateEllipsoids;
+using namespace Mantid::API;
+using namespace Mantid::Kernel;
+using namespace Mantid::DataHandling;
+using namespace Mantid::DataObjects;
+
+
+class IntegrateEllipsoidsTest : public CxxTest::TestSuite
+{
+public:
+ // This pair of boilerplate methods prevent the suite being created statically
+ // This means the constructor isn't called when running other tests
+ static IntegrateEllipsoidsTest *createSuite() { return new IntegrateEllipsoidsTest(); }
+ static void destroySuite( IntegrateEllipsoidsTest *suite ) { delete suite; }
+
+
+ void test_Init()
+ {
+ IntegrateEllipsoids alg;
+ TS_ASSERT_THROWS_NOTHING( alg.initialize() )
+ TS_ASSERT( alg.isInitialized() )
+ }
+
+ void test_exec()
+ { // expected results with size determined
+ // automatically from projected event sigmas
+ double inti_auto[] = { 88, 99, 23, 33, 8, 8, 4 };
+ double sigi_auto[] = { 13.784, 18.1384, 13.1529, 9.94987, 5.83095, 10.2956, 10.2956 };
+ // expected results with fixed size
+ // ellipsoids
+ double inti_fixed[] = { 87.541, 95.3934, 21.3607, 33.4262, 7.36066, 9.68852, 3.54098 };
+ double sigi_fixed[] = { 13.9656, 18.4523, 13.4335, 10.1106, 5.94223, 10.5231, 10.5375 };
+
+ // first, load peaks into a peaks workspace
+
+ Mantid::API::FrameworkManager::Instance(); // needed for LoadIsawPeaks
+ // to be found (i.e. registered)
+
+ std::string peaks_file("TOPAZ_3007.peaks");
+ std::string peaks_ws_name("TOPAZ_3007_peaks");
+
+ boost::shared_ptr<Mantid::API::Algorithm> peaks_loader =
+ Mantid::API::AlgorithmFactory::Instance().create(std::string("LoadIsawPeaks"), -1);
+ peaks_loader->initialize();
+ peaks_loader->setPropertyValue( "Filename", peaks_file );
+ peaks_loader->setPropertyValue( "OutputWorkspace", peaks_ws_name );
+ peaks_loader->execute();
+
+ // next, load events into an event workspace
+ std::string event_file("TOPAZ_3007_bank_37_20_sec.nxs");
+ std::string event_ws_name("TOPAZ_3007_events");
+
+ boost::shared_ptr<Mantid::API::Algorithm> event_loader =
+ Mantid::API::AlgorithmFactory::Instance().create(std::string("LoadNexus"), -1);
+ event_loader->initialize();
+
+ event_loader->setPropertyValue( "FileName", event_file );
+ event_loader->setPropertyValue( "OutputWorkspace", event_ws_name );
+ event_loader->execute();
+ // configure and test the algorithm
+ // using automatically determined
+ // ellipsoid sizes
+ IntegrateEllipsoids integrator;
+ TS_ASSERT_THROWS_NOTHING( integrator.initialize() );
+ TS_ASSERT_THROWS_NOTHING( integrator.setPropertyValue( "InputWorkspace", event_ws_name ) );
+ TS_ASSERT_THROWS_NOTHING( integrator.setPropertyValue( "PeaksWorkspace", peaks_ws_name ) );
+ TS_ASSERT_THROWS_NOTHING( integrator.setPropertyValue( "RegionRadius", ".25" ) );
+ TS_ASSERT_THROWS_NOTHING( integrator.setPropertyValue( "SpecifySize", "0" ) );
+ TS_ASSERT_THROWS_NOTHING( integrator.setPropertyValue( "PeakSize", ".2" ) );
+ TS_ASSERT_THROWS_NOTHING( integrator.setPropertyValue( "BackgroundInnerSize", ".2" ) );
+ TS_ASSERT_THROWS_NOTHING( integrator.setPropertyValue( "BackgroundOuterSize", ".25" ) );
+ TS_ASSERT_THROWS_NOTHING( integrator.setPropertyValue( "OutputWorkspace", peaks_ws_name ) );
+ TS_ASSERT_THROWS_NOTHING( integrator.execute() );
+
+ PeaksWorkspace_sptr peaks_ws;
+ TS_ASSERT_THROWS_NOTHING( peaks_ws = boost::dynamic_pointer_cast<PeaksWorkspace>(
+ AnalysisDataService::Instance().retrieve(peaks_ws_name)); );
+ TS_ASSERT(peaks_ws);
+
+ std::vector<Peak> & peaks = peaks_ws->getPeaks();
+ for (size_t i = 13; i <= 19; i++ )
+ {
+ TS_ASSERT_DELTA( peaks[i].getIntensity(), inti_auto[i-13], 0.1 );
+ TS_ASSERT_DELTA( peaks[i].getSigmaIntensity(), sigi_auto[i-13], 0.1 );
+ }
+ // configure and test the algorithm
+ // using fixed ellipsoid sizes
+ TS_ASSERT_THROWS_NOTHING( integrator.initialize() );
+ TS_ASSERT_THROWS_NOTHING( integrator.setPropertyValue( "InputWorkspace", event_ws_name ) );
+ TS_ASSERT_THROWS_NOTHING( integrator.setPropertyValue( "PeaksWorkspace", peaks_ws_name
+ ) );
+ TS_ASSERT_THROWS_NOTHING( integrator.setPropertyValue( "RegionRadius", ".25" ) );
+ TS_ASSERT_THROWS_NOTHING( integrator.setPropertyValue( "SpecifySize", "1" ) );
+ TS_ASSERT_THROWS_NOTHING( integrator.setPropertyValue( "PeakSize", ".2" ) );
+ TS_ASSERT_THROWS_NOTHING( integrator.setPropertyValue( "BackgroundInnerSize", ".2" ) );
+ TS_ASSERT_THROWS_NOTHING( integrator.setPropertyValue( "BackgroundOuterSize", ".25" ) );
+ TS_ASSERT_THROWS_NOTHING( integrator.setPropertyValue( "OutputWorkspace", peaks_ws_name ) );
+ TS_ASSERT_THROWS_NOTHING( integrator.execute() );
+
+ peaks = peaks_ws->getPeaks();
+ for (size_t i = 13; i <= 19; i++ )
+ {
+ TS_ASSERT_DELTA( peaks[i].getIntensity(), inti_fixed[i-13], 0.1 );
+ TS_ASSERT_DELTA( peaks[i].getSigmaIntensity(), sigi_fixed[i-13], 0.1 );
+ }
+
+ AnalysisDataService::Instance().remove( event_ws_name );
+ AnalysisDataService::Instance().remove(peaks_ws_name);
+ }
+
+};
+
+
+#endif /* MANTID_MDEVENTS_INTEGRATE_ELLIPSOIDS_TEST_H_ */