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LoadNexusProcessedTest.h
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LoadNexusProcessedTest.h
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#ifndef LOADNEXUSPROCESSEDTEST_H_
#define LOADNEXUSPROCESSEDTEST_H_
#include "MantidAPI/AlgorithmManager.h"
#include "MantidAPI/FileFinder.h"
#include "MantidAPI/AnalysisDataService.h"
#include "MantidAPI/MatrixWorkspace.h"
#include "MantidAPI/WorkspaceGroup.h"
#include "MantidDataObjects/EventWorkspace.h"
#include "MantidDataObjects/PeakShapeSpherical.h"
#include "MantidDataObjects/Peak.h"
#include "MantidDataObjects/PeaksWorkspace.h"
#include "MantidGeometry/IDTypes.h"
#include "MantidGeometry/Instrument.h"
#include "MantidGeometry/Instrument/InstrumentDefinitionParser.h"
#include "MantidDataHandling/LoadNexusProcessed.h"
#include "MantidDataHandling/SaveNexusProcessed.h"
#include "MantidDataHandling/Load.h"
#include "MantidDataHandling/LoadInstrument.h"
#include "MantidTestHelpers/WorkspaceCreationHelper.h"
#include "SaveNexusProcessedTest.h"
#include <boost/assign/list_of.hpp>
#include <boost/lexical_cast.hpp>
#include <cxxtest/TestSuite.h>
#include <hdf5.h>
#include <Poco/File.h>
using namespace Mantid::Geometry;
using namespace Mantid::Kernel;
using namespace Mantid::DataObjects;
using namespace Mantid::API;
using Mantid::detid_t;
// Note that this suite tests an old version of Nexus processed files that we continue to support.
// LoadRawSaveNxsLoadNxs tests the current version of Nexus processed by loading
// a newly created Nexus processed file.
//
// LoadRawSaveNxsLoadNxs should be run when making any changes to LoadNexusProcessed
// in addition to this test.
class LoadNexusProcessedTest: public CxxTest::TestSuite
{
public:
static LoadNexusProcessedTest *createSuite()
{
return new LoadNexusProcessedTest();
}
static void destroySuite(LoadNexusProcessedTest *suite)
{
delete suite;
}
LoadNexusProcessedTest():
testFile("GEM38370_Focussed_Legacy.nxs"), output_ws("nxstest"),
m_savedTmpEventFile("")
{
}
~LoadNexusProcessedTest()
{
AnalysisDataService::Instance().clear();
clearTmpEventNexus();
}
void testFastMultiPeriodDefault()
{
LoadNexusProcessed alg;
alg.initialize();
TS_ASSERT(alg.isInitialized());
const bool bFastMultiPeriod = alg.getProperty("FastMultiPeriod");
TSM_ASSERT("Should defalt to offering fast multiperiod loading", bFastMultiPeriod);
}
void testProcessedFile()
{
LoadNexusProcessed alg;
TS_ASSERT_THROWS_NOTHING(alg.initialize());
TS_ASSERT( alg.isInitialized());
alg.setPropertyValue("Filename", testFile);
alg.setPropertyValue("OutputWorkspace", output_ws);
TS_ASSERT_THROWS_NOTHING(alg.execute());
//Test some aspects of the file
Workspace_sptr workspace;
TS_ASSERT_THROWS_NOTHING( workspace = AnalysisDataService::Instance().retrieve(output_ws));
TS_ASSERT( workspace.get());
MatrixWorkspace_sptr matrix_ws = boost::dynamic_pointer_cast<MatrixWorkspace>(workspace);
TS_ASSERT( matrix_ws.get());
// Test proton charge from the sample block
TS_ASSERT_DELTA(matrix_ws->run().getProtonCharge(), 30.14816, 1e-5);
doHistoryTest(matrix_ws);
boost::shared_ptr<const Mantid::Geometry::Instrument> inst = matrix_ws->getInstrument();
TS_ASSERT_EQUALS(inst->getName(), "GEM");
TS_ASSERT_EQUALS(inst->getSource()->getPos().Z(), -17);
}
void testNexusProcessed_Min_Max()
{
LoadNexusProcessed alg;
TS_ASSERT_THROWS_NOTHING(alg.initialize());
TS_ASSERT( alg.isInitialized());
testFile = "focussed.nxs";
alg.setPropertyValue("Filename", testFile);
alg.setPropertyValue("OutputWorkspace", output_ws);
alg.setPropertyValue("SpectrumMin", "2");
alg.setPropertyValue("SpectrumMax", "4");
TS_ASSERT_THROWS_NOTHING(alg.execute());
TS_ASSERT( alg.isExecuted());
//Test some aspects of the file
Workspace_sptr workspace;
TS_ASSERT_THROWS_NOTHING( workspace = AnalysisDataService::Instance().retrieve(output_ws));
TS_ASSERT( workspace.get());
MatrixWorkspace_sptr matrix_ws = boost::dynamic_pointer_cast<MatrixWorkspace>(workspace);
TS_ASSERT( matrix_ws.get());
//Testing the number of histograms
TS_ASSERT_EQUALS(matrix_ws->getNumberHistograms(), 3);
doHistoryTest(matrix_ws);
boost::shared_ptr<const Mantid::Geometry::Instrument> inst = matrix_ws->getInstrument();
TS_ASSERT_EQUALS(inst->getName(), "GEM");
TS_ASSERT_EQUALS(inst->getSource()->getPos().Z(), -17);
}
void testNexusProcessed_List()
{
LoadNexusProcessed alg;
TS_ASSERT_THROWS_NOTHING(alg.initialize());
TS_ASSERT( alg.isInitialized());
testFile = "focussed.nxs";
alg.setPropertyValue("Filename", testFile);
alg.setPropertyValue("OutputWorkspace", output_ws);
alg.setPropertyValue("SpectrumList", "1,2,3,4");
TS_ASSERT_THROWS_NOTHING(alg.execute());
TS_ASSERT( alg.isExecuted());
//Test some aspects of the file
Workspace_sptr workspace;
TS_ASSERT_THROWS_NOTHING( workspace = AnalysisDataService::Instance().retrieve(output_ws));
TS_ASSERT( workspace.get());
MatrixWorkspace_sptr matrix_ws = boost::dynamic_pointer_cast<MatrixWorkspace>(workspace);
TS_ASSERT( matrix_ws.get());
//Testing the number of histograms
TS_ASSERT_EQUALS(matrix_ws->getNumberHistograms(), 4);
//Test history
doHistoryTest(matrix_ws);
boost::shared_ptr<const Mantid::Geometry::Instrument> inst = matrix_ws->getInstrument();
TS_ASSERT_EQUALS(inst->getName(), "GEM");
TS_ASSERT_EQUALS(inst->getSource()->getPos().Z(), -17);
}
void testNexusProcessed_Min_Max_List()
{
LoadNexusProcessed alg;
TS_ASSERT_THROWS_NOTHING(alg.initialize());
TS_ASSERT( alg.isInitialized());
testFile = "focussed.nxs";
alg.setPropertyValue("Filename", testFile);
alg.setPropertyValue("OutputWorkspace", output_ws);
alg.setPropertyValue("SpectrumMin", "1");
alg.setPropertyValue("SpectrumMax", "3");
alg.setPropertyValue("SpectrumList", "4,5");
TS_ASSERT_THROWS_NOTHING(alg.execute());
//Test some aspects of the file
Workspace_sptr workspace;
TS_ASSERT_THROWS_NOTHING( workspace = AnalysisDataService::Instance().retrieve(output_ws));
TS_ASSERT( workspace.get());
MatrixWorkspace_sptr matrix_ws = boost::dynamic_pointer_cast<MatrixWorkspace>(workspace);
TS_ASSERT( matrix_ws.get());
//Testing the number of histograms
TS_ASSERT_EQUALS(matrix_ws->getNumberHistograms(), 5);
//Test history
doHistoryTest(matrix_ws);
boost::shared_ptr<const Mantid::Geometry::Instrument> inst = matrix_ws->getInstrument();
TS_ASSERT_EQUALS(inst->getName(), "GEM");
TS_ASSERT_EQUALS(inst->getSource()->getPos().Z(), -17);
}
void testNexusProcessed_Min()
{
LoadNexusProcessed alg;
TS_ASSERT_THROWS_NOTHING(alg.initialize());
TS_ASSERT( alg.isInitialized());
testFile = "focussed.nxs";
alg.setPropertyValue("Filename", testFile);
alg.setPropertyValue("OutputWorkspace", output_ws);
alg.setPropertyValue("SpectrumMin", "4");
TS_ASSERT_THROWS_NOTHING(alg.execute());
//Test some aspects of the file
Workspace_sptr workspace;
TS_ASSERT_THROWS_NOTHING( workspace = AnalysisDataService::Instance().retrieve(output_ws));
TS_ASSERT( workspace.get());
MatrixWorkspace_sptr matrix_ws = boost::dynamic_pointer_cast<MatrixWorkspace>(workspace);
TS_ASSERT( matrix_ws.get());
//Testing the number of histograms
TS_ASSERT_EQUALS(matrix_ws->getNumberHistograms(), 3);
//Test history
doHistoryTest(matrix_ws);
boost::shared_ptr<const Mantid::Geometry::Instrument> inst = matrix_ws->getInstrument();
TS_ASSERT_EQUALS(inst->getName(), "GEM");
TS_ASSERT_EQUALS(inst->getSource()->getPos().Z(), -17);
}
void testNexusProcessed_Max()
{
LoadNexusProcessed alg;
TS_ASSERT_THROWS_NOTHING(alg.initialize());
TS_ASSERT( alg.isInitialized());
testFile = "focussed.nxs";
alg.setPropertyValue("Filename", testFile);
alg.setPropertyValue("OutputWorkspace", output_ws);
alg.setPropertyValue("SpectrumMax", "3");
TS_ASSERT_THROWS_NOTHING(alg.execute());
//Test some aspects of the file
Workspace_sptr workspace;
TS_ASSERT_THROWS_NOTHING( workspace = AnalysisDataService::Instance().retrieve(output_ws));
TS_ASSERT( workspace.get());
MatrixWorkspace_sptr matrix_ws = boost::dynamic_pointer_cast<MatrixWorkspace>(workspace);
TS_ASSERT( matrix_ws.get());
//Testing the number of histograms
TS_ASSERT_EQUALS(matrix_ws->getNumberHistograms(), 3);
//Test history
doHistoryTest(matrix_ws);
boost::shared_ptr<const Mantid::Geometry::Instrument> inst = matrix_ws->getInstrument();
TS_ASSERT_EQUALS(inst->getName(), "GEM");
TS_ASSERT_EQUALS(inst->getSource()->getPos().Z(), -17);
}
// Saving and reading masking correctly
void testMasked()
{
LoadNexusProcessed alg;
TS_ASSERT_THROWS_NOTHING(alg.initialize());
TS_ASSERT( alg.isInitialized());
testFile = "focussed.nxs";
alg.setPropertyValue("Filename", testFile);
testFile = alg.getPropertyValue("Filename");
alg.setPropertyValue("OutputWorkspace", output_ws);
TS_ASSERT_THROWS_NOTHING(alg.execute());
//Test some aspects of the file
MatrixWorkspace_sptr workspace;
workspace = boost::dynamic_pointer_cast<MatrixWorkspace>(
AnalysisDataService::Instance().retrieve(output_ws));
TS_ASSERT( workspace.get());
for (size_t si = 0; si < workspace->getNumberHistograms(); ++si)
{
workspace->maskBin(si, 0, 1.0);
workspace->maskBin(si, 1, 1.0);
workspace->maskBin(si, 2, 1.0);
}
SaveNexusProcessed save;
save.initialize();
save.setPropertyValue("InputWorkspace", output_ws);
std::string filename = "LoadNexusProcessed_tmp.nxs";
save.setPropertyValue("Filename", filename);
filename = save.getPropertyValue("Filename");
save.execute();
LoadNexusProcessed load;
load.initialize();
load.setPropertyValue("Filename", filename);
load.setPropertyValue("OutputWorkspace", output_ws);
load.execute();
workspace = boost::dynamic_pointer_cast<MatrixWorkspace>(
AnalysisDataService::Instance().retrieve(output_ws));
TS_ASSERT( workspace.get());
TS_ASSERT_EQUALS(workspace->getNumberHistograms(), 6);
TS_ASSERT(workspace->hasMaskedBins(0));
TS_ASSERT(workspace->hasMaskedBins(1));
TS_ASSERT(workspace->hasMaskedBins(2));
TS_ASSERT(workspace->hasMaskedBins(3));
TS_ASSERT(workspace->hasMaskedBins(4));
TS_ASSERT(workspace->hasMaskedBins(5));
if (Poco::File(filename).exists())
Poco::File(filename).remove();
}
void dotest_LoadAnEventFile(EventType type)
{
std::string filename_root = "LoadNexusProcessed_ExecEvent_";
// Call a function that writes out the file
std::string outputFile;
EventWorkspace_sptr origWS = SaveNexusProcessedTest::do_testExec_EventWorkspaces(filename_root, type,
outputFile, false, false);
LoadNexusProcessed alg;
TS_ASSERT_THROWS_NOTHING(alg.initialize());
TS_ASSERT( alg.isInitialized());
alg.setPropertyValue("Filename", outputFile);
alg.setPropertyValue("OutputWorkspace", output_ws);
TS_ASSERT_THROWS_NOTHING(alg.execute());
//Test some aspects of the file
Workspace_sptr workspace;
TS_ASSERT_THROWS_NOTHING( workspace = AnalysisDataService::Instance().retrieve(output_ws));
TS_ASSERT( workspace.get());
EventWorkspace_sptr ws = boost::dynamic_pointer_cast<EventWorkspace>(workspace);
TS_ASSERT( ws);
if (!ws)
return;
//Testing the number of histograms
TS_ASSERT_EQUALS(ws->getNumberHistograms(), 5);
for (size_t wi = 0; wi < 5; wi++)
{
const EventList & el = ws->getEventList(wi);
TS_ASSERT_EQUALS( el.getEventType(), type);
TS_ASSERT( el.hasDetectorID(detid_t(wi+1)*10));
}
TS_ASSERT_EQUALS( ws->getEventList(0).getNumberEvents(), 300);
TS_ASSERT_EQUALS( ws->getEventList(1).getNumberEvents(), 100);
TS_ASSERT_EQUALS( ws->getEventList(2).getNumberEvents(), 200);
TS_ASSERT_EQUALS( ws->getEventList(3).getNumberEvents(), 0);
TS_ASSERT_EQUALS( ws->getEventList(4).getNumberEvents(), 100);
// Do the comparison algo to check that they really are the same
origWS->sortAll(TOF_SORT, NULL);
ws->sortAll(TOF_SORT, NULL);
IAlgorithm_sptr alg2 = AlgorithmManager::Instance().createUnmanaged("CheckWorkspacesMatch");
alg2->initialize();
alg2->setProperty<MatrixWorkspace_sptr>("Workspace1", origWS);
alg2->setProperty<MatrixWorkspace_sptr>("Workspace2", ws);
alg2->setProperty<double>("Tolerance", 1e-5);
alg2->setProperty<bool>("CheckAxes", false);
alg2->execute();
if (alg2->isExecuted())
{
TS_ASSERT(alg2->getPropertyValue("Result") == "Success!");
}
else
{
TS_ASSERT( false);
}
//Clear old file
if (Poco::File(outputFile).exists())
Poco::File(outputFile).remove();
}
void test_LoadEventNexus_TOF()
{
dotest_LoadAnEventFile(TOF);
}
void test_LoadEventNexus_WEIGHTED()
{
dotest_LoadAnEventFile(WEIGHTED);
}
void test_LoadEventNexus_WEIGHTED_NOTIME()
{
dotest_LoadAnEventFile(WEIGHTED_NOTIME);
}
void test_loadEventNexus_Min()
{
writeTmpEventNexus();
LoadNexusProcessed alg;
TS_ASSERT_THROWS_NOTHING(alg.initialize());
TS_ASSERT( alg.isInitialized());
alg.setPropertyValue("Filename", m_savedTmpEventFile);
alg.setPropertyValue("OutputWorkspace", output_ws);
alg.setPropertyValue("SpectrumMin", "3");
// this should imply 4==ws->getNumberHistograms()
// expected number of spectra and length of the alg history
doCommonEventLoadChecks(alg, 4, 2);
}
void test_loadEventNexus_Max()
{
writeTmpEventNexus();
LoadNexusProcessed alg;
TS_ASSERT_THROWS_NOTHING(alg.initialize());
TS_ASSERT( alg.isInitialized());
alg.setPropertyValue("Filename", m_savedTmpEventFile);
alg.setPropertyValue("OutputWorkspace", output_ws);
alg.setPropertyValue("SpectrumMax", "2");
// this should imply 3==ws->getNumberHistograms()
// expected number of spectra and length of the alg history
doCommonEventLoadChecks(alg, 2, 2);
}
void test_loadEventNexus_Min_Max()
{
writeTmpEventNexus();
LoadNexusProcessed alg;
TS_ASSERT_THROWS_NOTHING(alg.initialize());
TS_ASSERT( alg.isInitialized());
alg.setPropertyValue("Filename", m_savedTmpEventFile);
alg.setPropertyValue("OutputWorkspace", output_ws);
alg.setPropertyValue("SpectrumMin", "2");
alg.setPropertyValue("SpectrumMax", "4");
// this should imply 3==ws->getNumberHistograms()
// expected number of spectra and length of the alg history
// in history, expect: load + LoadInst (child)
doCommonEventLoadChecks(alg, 3, 2);
}
void test_loadEventNexus_Fail()
{
writeTmpEventNexus();
LoadNexusProcessed alg;
TS_ASSERT_THROWS_NOTHING(alg.initialize());
TS_ASSERT( alg.isInitialized());
alg.setPropertyValue("Filename", m_savedTmpEventFile);
alg.setPropertyValue("OutputWorkspace", output_ws);
alg.setPropertyValue("SpectrumList", "1,3,5,89");
// the 89 should cause trouble, but gracefully...
TS_ASSERT_THROWS_NOTHING(alg.execute());
TS_ASSERT(!alg.isExecuted());
}
void test_loadEventNexus_List()
{
writeTmpEventNexus();
LoadNexusProcessed alg;
TS_ASSERT_THROWS_NOTHING(alg.initialize());
TS_ASSERT( alg.isInitialized());
alg.setPropertyValue("Filename", m_savedTmpEventFile);
alg.setPropertyValue("OutputWorkspace", output_ws);
alg.setPropertyValue("SpectrumList", "1,3,5");
// this should imply 3==ws->getNumberHistograms()
// expected number of spectra and length of the alg history
doCommonEventLoadChecks(alg, 3, 2);
}
void test_loadEventNexus_Min_List()
{
writeTmpEventNexus();
LoadNexusProcessed alg;
TS_ASSERT_THROWS_NOTHING(alg.initialize());
TS_ASSERT( alg.isInitialized());
alg.setPropertyValue("Filename", m_savedTmpEventFile);
alg.setPropertyValue("OutputWorkspace", output_ws);
alg.setPropertyValue("SpectrumList", "5");
alg.setPropertyValue("SpectrumMin", "4");
// this should imply 2==ws->getNumberHistograms()
// expected number of spectra and length of the alg history
doCommonEventLoadChecks(alg, 3, 2);
}
void test_loadEventNexus_Max_List()
{
writeTmpEventNexus();
LoadNexusProcessed alg;
TS_ASSERT_THROWS_NOTHING(alg.initialize());
TS_ASSERT( alg.isInitialized());
alg.setPropertyValue("Filename", m_savedTmpEventFile);
alg.setPropertyValue("OutputWorkspace", output_ws);
alg.setPropertyValue("SpectrumMax", "2");
alg.setPropertyValue("SpectrumList", "3,5");
// this should imply 4==ws->getNumberHistograms()
// expected number of spectra and length of the alg history
doCommonEventLoadChecks(alg, 4, 2);
}
void test_loadEventNexus_Min_Max_List()
{
writeTmpEventNexus();
LoadNexusProcessed alg;
TS_ASSERT_THROWS_NOTHING(alg.initialize());
TS_ASSERT( alg.isInitialized());
alg.setPropertyValue("Filename", m_savedTmpEventFile);
alg.setPropertyValue("OutputWorkspace", output_ws);
alg.setPropertyValue("SpectrumMin", "3");
alg.setPropertyValue("SpectrumMax", "5");
alg.setPropertyValue("SpectrumList", "1,2,3,5");
// this should imply 5(all)==ws->getNumberHistograms()
// expected number of spectra and length of the alg history
doCommonEventLoadChecks(alg, 5, 2);
}
void test_load_saved_workspace_group()
{
LoadNexusProcessed alg;
TS_ASSERT_THROWS_NOTHING(alg.initialize());
TS_ASSERT( alg.isInitialized());
alg.setPropertyValue("Filename", "WorkspaceGroup.nxs");
alg.setPropertyValue("OutputWorkspace", "group");
TS_ASSERT_THROWS_NOTHING(alg.execute());
Workspace_sptr workspace;
TS_ASSERT_THROWS_NOTHING( workspace = AnalysisDataService::Instance().retrieve("group"));
WorkspaceGroup_sptr group = boost::dynamic_pointer_cast<WorkspaceGroup>(workspace);
TS_ASSERT( group);
int groupSize = group->getNumberOfEntries();
TS_ASSERT_EQUALS( groupSize, 12);
for (int i = 0; i < groupSize; ++i)
{
MatrixWorkspace_sptr ws = boost::dynamic_pointer_cast<MatrixWorkspace>(group->getItem(i));
TS_ASSERT( ws);
TS_ASSERT_EQUALS( ws->getNumberHistograms(), 1);
TS_ASSERT_EQUALS( ws->blocksize(), 10);
TS_ASSERT_EQUALS( ws->name(), "group_" + boost::lexical_cast<std::string>( i + 1 ));
}
}
void test_load_workspace_group_unique_names()
{
LoadNexusProcessed alg;
TS_ASSERT_THROWS_NOTHING(alg.initialize());
TS_ASSERT( alg.isInitialized());
//Group two uses unique names for each workspace
alg.setPropertyValue("Filename", "WorkspaceGroup2.nxs");
alg.setPropertyValue("OutputWorkspace", "group");
const char* suffix[] =
{ "eq2", "eq1", "elf" };
TS_ASSERT_THROWS_NOTHING(alg.execute());
Workspace_sptr workspace;
TS_ASSERT_THROWS_NOTHING( workspace = AnalysisDataService::Instance().retrieve("group"));
WorkspaceGroup_sptr group = boost::dynamic_pointer_cast<WorkspaceGroup>(workspace);
TS_ASSERT( group);
int groupSize = group->getNumberOfEntries();
TS_ASSERT_EQUALS( groupSize, 3);
for (int i = 0; i < groupSize; ++i)
{
MatrixWorkspace_sptr ws = boost::dynamic_pointer_cast<MatrixWorkspace>(group->getItem(i));
TS_ASSERT( ws);
TS_ASSERT_EQUALS( ws->getNumberHistograms(), 1);
TS_ASSERT_EQUALS( ws->blocksize(), 2);
TS_ASSERT_EQUALS( ws->name(), "irs55125_graphite002_to_55131_" + std::string(suffix[i]));
}
}
void test_load_workspace_group_unique_names_two_workspaces()
{
LoadNexusProcessed alg;
TS_ASSERT_THROWS_NOTHING(alg.initialize());
TS_ASSERT( alg.isInitialized());
//Group two uses unique names for each workspace
alg.setPropertyValue("Filename", "WorkspaceGroup2.nxs");
alg.setPropertyValue("OutputWorkspace", "group");
const char* suffix[] =
{ "eq2", "eq1", "elf" };
TS_ASSERT_THROWS_NOTHING(alg.execute());
Workspace_sptr workspace;
TS_ASSERT_THROWS_NOTHING( workspace = AnalysisDataService::Instance().retrieve("group"));
WorkspaceGroup_sptr group = boost::dynamic_pointer_cast<WorkspaceGroup>(workspace);
TS_ASSERT( group);
int groupSize = group->getNumberOfEntries();
TS_ASSERT_EQUALS( groupSize, 3);
for (int i = 0; i < groupSize; ++i)
{
MatrixWorkspace_sptr ws = boost::dynamic_pointer_cast<MatrixWorkspace>(group->getItem(i));
TS_ASSERT( ws);
TS_ASSERT_EQUALS( ws->getNumberHistograms(), 1);
TS_ASSERT_EQUALS( ws->blocksize(), 2);
TS_ASSERT_EQUALS( ws->name(), "irs55125_graphite002_to_55131_" + std::string(suffix[i]));
}
//load same file again, but to a different group
//this checks that the names will be unique
LoadNexusProcessed alg2;
TS_ASSERT_THROWS_NOTHING(alg2.initialize());
TS_ASSERT( alg2.isInitialized());
//Group two uses unique names for each workspace
alg2.setPropertyValue("Filename", "WorkspaceGroup2.nxs");
alg2.setPropertyValue("OutputWorkspace", "group2");
TS_ASSERT_THROWS_NOTHING(alg2.execute());
TS_ASSERT_THROWS_NOTHING( workspace = AnalysisDataService::Instance().retrieve("group2"));
group = boost::dynamic_pointer_cast<WorkspaceGroup>(workspace);
TS_ASSERT( group);
groupSize = group->getNumberOfEntries();
TS_ASSERT_EQUALS( groupSize, 3);
for (int i = 0; i < groupSize; ++i)
{
MatrixWorkspace_sptr ws = boost::dynamic_pointer_cast<MatrixWorkspace>(group->getItem(i));
TS_ASSERT( ws);
TS_ASSERT_EQUALS( ws->getNumberHistograms(), 1);
TS_ASSERT_EQUALS( ws->blocksize(), 2);
TS_ASSERT_EQUALS( ws->name(), "irs55125_graphite002_to_55131_" + std::string(suffix[i]) + "_1");
}
}
void test_load_fit_parameters()
{
LoadNexusProcessed alg;
TS_ASSERT_THROWS_NOTHING(alg.initialize());
TS_ASSERT( alg.isInitialized());
alg.setPropertyValue("Filename", "HRP38692a.nxs");
alg.setPropertyValue("OutputWorkspace", "HRPDparameters");
TS_ASSERT_THROWS_NOTHING(alg.execute());
MatrixWorkspace_sptr ws;
ws = AnalysisDataService::Instance().retrieveWS<MatrixWorkspace>("HRPDparameters");
// test to see if parameters are loaded
std::vector<boost::shared_ptr<const Mantid::Geometry::IComponent> > bankComp =
ws->getInstrument()->getAllComponentsWithName("bank_bsk");
TS_ASSERT( bankComp[0]->getParameterNames().size() == 3);
}
void testTableWorkspace()
{
Load alg;
alg.initialize();
alg.setPropertyValue("Filename", "SavedTableWorkspace.nxs");
const std::string wsName("SavedTableWorkspace");
alg.setPropertyValue("OutputWorkspace", wsName);
TS_ASSERT( alg.execute());
TableWorkspace_const_sptr ws = AnalysisDataService::Instance().retrieveWS<TableWorkspace>(wsName);
TS_ASSERT_EQUALS( ws->columnCount(), 10);
TS_ASSERT_EQUALS( ws->rowCount(), 4);
try
{
{
ConstColumnVector<std::string> column = ws->getVector("Name");
TS_ASSERT_EQUALS( column[0], "Height");
TS_ASSERT_EQUALS( column[1], "PeakCentre");
TS_ASSERT_EQUALS( column[2], "Sigma");
TS_ASSERT_EQUALS( column[3], "Cost function value");
}
{
ConstColumnVector<double> column = ws->getVector("Value");
TS_ASSERT_DELTA( column[0], 79.2315, 0.0001);
TS_ASSERT_DELTA( column[1], 2.3979, 0.0001);
TS_ASSERT_DELTA( column[2], 0.3495, 0.0001);
TS_ASSERT_DELTA( column[3], 35.6841, 0.0001);
}
{
ConstColumnVector<double> column = ws->getVector("Error");
TS_ASSERT_DELTA( column[0], 0.814478, 0.0001);
TS_ASSERT_DELTA( column[1], 0.00348291, 0.000001);
TS_ASSERT_DELTA( column[2], 0.00342847, 0.000001);
TS_ASSERT_EQUALS( column[3], 0);
}
{
TS_ASSERT_THROWS( ConstColumnVector<int64_t> column = ws->getVector("Integer"), std::runtime_error );
ConstColumnVector<int> column = ws->getVector("Integer");
TS_ASSERT_EQUALS( column[0], 5);
TS_ASSERT_EQUALS( column[1], 3);
TS_ASSERT_EQUALS( column[2], 2);
TS_ASSERT_EQUALS( column[3], 4);
}
{
ConstColumnVector<uint32_t> column = ws->getVector("UInteger");
TS_ASSERT_EQUALS( column[0], 35);
TS_ASSERT_EQUALS( column[1], 33);
TS_ASSERT_EQUALS( column[2], 32);
TS_ASSERT_EQUALS( column[3], 34);
}
{
ConstColumnVector<int64_t> column = ws->getVector("Integer64");
TS_ASSERT_EQUALS( column[0], 15);
TS_ASSERT_EQUALS( column[1], 13);
TS_ASSERT_EQUALS( column[2], 12);
TS_ASSERT_EQUALS( column[3], 14);
}
{
ConstColumnVector<float> column = ws->getVector("Float");
TS_ASSERT_DELTA( column[0], 0.5, 0.000001 );
TS_ASSERT_DELTA( column[1], 0.3, 0.000001 );
TS_ASSERT_DELTA( column[2], 0.2, 0.000001 );
TS_ASSERT_DELTA( column[3], 0.4, 0.000001 );
}
{
ConstColumnVector<size_t> column = ws->getVector("Size");
TS_ASSERT_EQUALS( column[0], 25);
TS_ASSERT_EQUALS( column[1], 23);
TS_ASSERT_EQUALS( column[2], 22);
TS_ASSERT_EQUALS( column[3], 24);
}
{
ConstColumnVector<Boolean> column = ws->getVector("Bool");
TS_ASSERT( column[0] );
TS_ASSERT( column[1] );
TS_ASSERT( !column[2] );
TS_ASSERT( column[3] );
}
{
ConstColumnVector<Mantid::Kernel::V3D> column = ws->getVector("3DVector");
TS_ASSERT_EQUALS( column[0], Mantid::Kernel::V3D(1,2,3));
TS_ASSERT_EQUALS( column[1], Mantid::Kernel::V3D(4,5,6));
TS_ASSERT_EQUALS( column[2], Mantid::Kernel::V3D(7,8,9));
TS_ASSERT_EQUALS( column[3], Mantid::Kernel::V3D(11,12,13));
}
}
catch(std::exception& e)
{
TS_FAIL( e.what() );
}
AnalysisDataService::Instance().remove(wsName);
}
void test_peaks_workspace_with_shape_format()
{
LoadNexusProcessed loadAlg;
loadAlg.setChild(true);
loadAlg.initialize();
loadAlg.setPropertyValue("Filename", "SingleCrystalPeakTable.nxs");
loadAlg.setPropertyValue("OutputWorkspace", "dummy");
loadAlg.execute();
Workspace_sptr ws = loadAlg.getProperty("OutputWorkspace");
auto peakWS = boost::dynamic_pointer_cast<Mantid::DataObjects::PeaksWorkspace>(ws);
TS_ASSERT(peakWS);
TS_ASSERT_EQUALS(3, peakWS->getNumberPeaks());
// In this peaks workspace one of the peaks has been marked as spherically integrated.
TS_ASSERT_EQUALS("spherical", peakWS->getPeak(0).getPeakShape().shapeName());
TS_ASSERT_EQUALS("none", peakWS->getPeak(1).getPeakShape().shapeName());
TS_ASSERT_EQUALS("none", peakWS->getPeak(2).getPeakShape().shapeName());
}
/* The nexus format for this type of workspace has a legacy format with no shape information
* We should still be able to load that */
void test_peaks_workspace_no_shape_format()
{
LoadNexusProcessed loadAlg;
loadAlg.setChild(true);
loadAlg.initialize();
loadAlg.setPropertyValue("Filename", "SingleCrystalPeakTableLegacy.nxs");
loadAlg.setPropertyValue("OutputWorkspace", "dummy");
loadAlg.execute();
Workspace_sptr ws = loadAlg.getProperty("OutputWorkspace");
auto peakWS = boost::dynamic_pointer_cast<Mantid::DataObjects::PeaksWorkspace>(ws);
TS_ASSERT(peakWS);
}
void test_coordinates_saved_and_loaded_on_peaks_workspace()
{
auto peaksTestWS = WorkspaceCreationHelper::createPeaksWorkspace();
// Loading a peaks workspace without a instrument from an IDF doesn't work ...
const std::string filename = FileFinder::Instance().getFullPath(
"IDFs_for_UNIT_TESTING/MINITOPAZ_Definition.xml");
InstrumentDefinitionParser parser;
parser.initialize(filename, "MINITOPAZ", Strings::loadFile(filename));
auto instrument = parser.parseXML(NULL);
peaksTestWS->populateInstrumentParameters();
peaksTestWS->setInstrument(instrument);
const SpecialCoordinateSystem appliedCoordinateSystem = QSample;
peaksTestWS->setCoordinateSystem(appliedCoordinateSystem);
SaveNexusProcessed saveAlg;
saveAlg.setChild(true);
saveAlg.initialize();
saveAlg.setProperty("InputWorkspace", peaksTestWS);
saveAlg.setPropertyValue("Filename", "LoadAndSaveNexusProcessedCoordinateSystem.nxs");
saveAlg.execute();
std::string filePath = saveAlg.getPropertyValue("Filename");
LoadNexusProcessed loadAlg;
loadAlg.setChild(true);
loadAlg.initialize();
loadAlg.setPropertyValue("Filename", filePath);
loadAlg.setPropertyValue("OutputWorkspace", "__unused");
loadAlg.execute();
Mantid::API::Workspace_sptr loadedWS = loadAlg.getProperty("OutputWorkspace");
auto loadedPeaksWS =
boost::dynamic_pointer_cast<Mantid::API::IPeaksWorkspace>(loadedWS);
Poco::File testFile(filePath);
if(testFile.exists())
{
testFile.remove();
}
TS_ASSERT_EQUALS(appliedCoordinateSystem, loadedPeaksWS->getSpecialCoordinateSystem());
}
// backwards compatability check
void test_coordinates_saved_and_loaded_on_peaks_workspace_from_expt_info()
{
auto peaksTestWS = WorkspaceCreationHelper::createPeaksWorkspace();
// Loading a peaks workspace without a instrument from an IDF doesn't work ...
const std::string filename = FileFinder::Instance().getFullPath(
"IDFs_for_UNIT_TESTING/MINITOPAZ_Definition.xml");
InstrumentDefinitionParser parser;
parser.initialize(filename, "MINITOPAZ", Strings::loadFile(filename));
auto instrument = parser.parseXML(NULL);
peaksTestWS->populateInstrumentParameters();
peaksTestWS->setInstrument(instrument);
// simulate old-style file with "CoordinateSystem" log
const SpecialCoordinateSystem appliedCoordinateSystem = QSample;
peaksTestWS->logs()->addProperty("CoordinateSystem",
static_cast<int>(appliedCoordinateSystem));
SaveNexusProcessed saveAlg;
saveAlg.setChild(true);
saveAlg.initialize();
saveAlg.setProperty("InputWorkspace", peaksTestWS);
saveAlg.setPropertyValue("Filename", "LoadAndSaveNexusProcessedCoordinateSystemOldFormat.nxs");
saveAlg.execute();
std::string filePath = saveAlg.getPropertyValue("Filename");
// Remove the coordinate_system entry so it falls back on the log. NeXus
// can't do this so use the HDF5 API directly
auto fid = H5Fopen(filePath.c_str(), H5F_ACC_RDWR, H5P_DEFAULT);
auto mantid_id = H5Gopen(fid, "mantid_workspace_1", H5P_DEFAULT);
auto peaks_id = H5Gopen(mantid_id, "peaks_workspace", H5P_DEFAULT);
if (peaks_id > 0) {
H5Ldelete(peaks_id, "coordinate_system", H5P_DEFAULT);
H5Gclose(peaks_id);
H5Gclose(mantid_id);
} else {
TS_FAIL("Cannot unlink coordinate_system group. Test file has unexpected "
"structure.");
}
H5Fclose(fid);
LoadNexusProcessed loadAlg;
loadAlg.setChild(true);
loadAlg.initialize();
loadAlg.setPropertyValue("Filename", filePath);
loadAlg.setPropertyValue("OutputWorkspace", "__unused");
loadAlg.execute();
Mantid::API::Workspace_sptr loadedWS = loadAlg.getProperty("OutputWorkspace");
auto loadedPeaksWS =
boost::dynamic_pointer_cast<Mantid::API::IPeaksWorkspace>(loadedWS);
Poco::File testFile(filePath);
if(testFile.exists())
{
testFile.remove();
}
TS_ASSERT_EQUALS(appliedCoordinateSystem, loadedPeaksWS->getSpecialCoordinateSystem());
}
void testTableWorkspace_vectorColumn()
{
// Create a table we will save
ITableWorkspace_sptr table = WorkspaceFactory::Instance().createTable();
table->addColumn("vector_int", "IntVectorColumn");
table->addColumn("vector_double", "DoubleVectorColumn");
std::vector<double> d1, d2, d3;
d1.push_back(0.5);
d2.push_back(1.0);
d2.push_back(2.5);
d3.push_back(4.0);
std::vector<int> i1(Strings::parseRange("1"));
std::vector<int> i2(Strings::parseRange("2,3,"));
std::vector<int> i3(Strings::parseRange("4,5,6,7"));
// Add some rows of different sizes
TableRow row1 = table->appendRow();
row1 << i1 << d1;
TableRow row2 = table->appendRow();
row2 << i2 << d2;
TableRow row3 = table->appendRow();
row3 << i3 << d3;
ScopedWorkspace inTableEntry(table);
std::string savedFileName("LoadNexusProcessedTest_testTableWorkspace_vectorColumn.nxs");
SaveNexusProcessed saveAlg;
saveAlg.initialize();
saveAlg.setPropertyValue("InputWorkspace", inTableEntry.name());
saveAlg.setPropertyValue("Filename", savedFileName);
TS_ASSERT_THROWS_NOTHING(saveAlg.execute());
TS_ASSERT(saveAlg.isExecuted());
if (!saveAlg.isExecuted())
return; // Nothing to check
// Get absolute path to the saved file
savedFileName = saveAlg.getPropertyValue("Filename");
ScopedWorkspace outTableEntry;
LoadNexusProcessed loadAlg;
loadAlg.initialize();
loadAlg.setPropertyValue("Filename", savedFileName);
loadAlg.setPropertyValue("OutputWorkspace", outTableEntry.name());
TS_ASSERT_THROWS_NOTHING( loadAlg.execute());
TS_ASSERT( loadAlg.isExecuted());
// The file is not needed anymore
Poco::File(savedFileName).remove();
if (!loadAlg.isExecuted())
return; // Nothing to check
auto outTable = boost::dynamic_pointer_cast<const TableWorkspace>(outTableEntry.retrieve());
TS_ASSERT( outTable);
if (!outTable)
return; // Nothing to check
TS_ASSERT_EQUALS( outTable->columnCount(), 2);
TS_ASSERT_EQUALS( outTable->rowCount(), 3);
Column_const_sptr column; // Column we are currently checking
TS_ASSERT_THROWS_NOTHING( column = outTable->getColumn("IntVectorColumn"));
TS_ASSERT( column->isType< std::vector<int> >());