Newer
Older
#ifndef MANTID_ALGORITHMS_REFLECTOMETRYREDUCTIONONEAUTO2TEST_H_
#define MANTID_ALGORITHMS_REFLECTOMETRYREDUCTIONONEAUTO2TEST_H_
#include <cxxtest/TestSuite.h>
#include "MantidAPI/AlgorithmManager.h"
#include "MantidAPI/Axis.h"
#include "MantidAPI/FrameworkManager.h"
#include "MantidAPI/WorkspaceGroup.h"
#include "MantidAlgorithms/CreateWorkspace.h"
#include "MantidAlgorithms/GroupWorkspaces.h"
#include "MantidAlgorithms/ReflectometryReductionOneAuto2.h"
#include "MantidDataHandling/LoadInstrument.h"
#include "MantidDataHandling/LoadParameterFile.h"
#include "MantidDataHandling/Load.h"
#include "MantidGeometry/Instrument.h"
#include "MantidGeometry/Instrument/DetectorInfo.h"
#include "MantidHistogramData/BinEdges.h"
#include "MantidHistogramData/Counts.h"
#include "MantidHistogramData/LinearGenerator.h"
#include "MantidKernel/OptionalBool.h"
#include "MantidKernel/Unit.h"
#include "MantidTestHelpers/WorkspaceCreationHelper.h"
using namespace Mantid::Algorithms;
using namespace Mantid::API;
using namespace Mantid::DataHandling;
using namespace Mantid::DataObjects;
using namespace Mantid::HistogramData;
using namespace Mantid::Kernel;
class ReflectometryReductionOneAuto2Test : public CxxTest::TestSuite {
private:
MatrixWorkspace_sptr m_notTOF;
MatrixWorkspace_sptr m_TOF;
AnalysisDataServiceImpl &ADS = AnalysisDataService::Instance();
39
40
41
42
43
44
45
46
47
48
49
50
51
52
53
54
55
56
57
58
59
60
61
62
63
64
65
66
67
68
69
70
71
72
73
74
75
76
77
78
79
80
81
82
83
84
85
86
87
88
89
90
91
92
93
94
95
96
97
98
99
100
101
102
103
MatrixWorkspace_sptr loadRun(const std::string &run) {
IAlgorithm_sptr lAlg = AlgorithmManager::Instance().create("Load");
lAlg->setChild(true);
lAlg->initialize();
lAlg->setProperty("Filename", run);
lAlg->setPropertyValue("OutputWorkspace", "demo_ws");
lAlg->execute();
Workspace_sptr temp = lAlg->getProperty("OutputWorkspace");
MatrixWorkspace_sptr matrixWS =
boost::dynamic_pointer_cast<MatrixWorkspace>(temp);
if (matrixWS)
return matrixWS;
WorkspaceGroup_sptr group =
boost::dynamic_pointer_cast<WorkspaceGroup>(temp);
if (group) {
Workspace_sptr temp = group->getItem(0);
MatrixWorkspace_sptr matrixWS =
boost::dynamic_pointer_cast<MatrixWorkspace>(temp);
if (matrixWS)
return matrixWS;
}
return MatrixWorkspace_sptr();
};
public:
// This pair of boilerplate methods prevent the suite being created statically
// This means the constructor isn't called when running other tests
static ReflectometryReductionOneAuto2Test *createSuite() {
return new ReflectometryReductionOneAuto2Test();
}
static void destroySuite(ReflectometryReductionOneAuto2Test *suite) {
delete suite;
}
ReflectometryReductionOneAuto2Test() {
FrameworkManager::Instance();
m_notTOF =
WorkspaceCreationHelper::create2DWorkspaceWithRectangularInstrument(
1, 10, 10);
m_TOF = WorkspaceCreationHelper::
create2DWorkspaceWithReflectometryInstrumentMultiDetector();
}
~ReflectometryReductionOneAuto2Test() override {}
void test_init() {
ReflectometryReductionOneAuto2 alg;
TS_ASSERT_THROWS_NOTHING(alg.initialize());
TS_ASSERT(alg.isInitialized());
}
void test_bad_input_workspace_units() {
ReflectometryReductionOneAuto2 alg;
alg.setChild(true);
alg.initialize();
alg.setProperty("InputWorkspace", m_notTOF);
alg.setProperty("WavelengthMin", 1.0);
alg.setProperty("WavelengthMax", 15.0);
alg.setProperty("ProcessingInstructions", "0");
alg.setPropertyValue("OutputWorkspace", "IvsQ");
alg.setPropertyValue("OutputWorkspaceBinned", "IvsQ_binned");
alg.setPropertyValue("OutputWorkspaceWavelength", "IvsLam");
TS_ASSERT_THROWS_ANYTHING(alg.execute());
}
void test_bad_wavelength_range() {
ReflectometryReductionOneAuto2 alg;
alg.setChild(true);
alg.initialize();
alg.setProperty("InputWorkspace", m_TOF);
alg.setProperty("WavelengthMin", 15.0);
alg.setProperty("WavelengthMax", 1.0);
alg.setProperty("ProcessingInstructions", "0");
alg.setPropertyValue("OutputWorkspace", "IvsQ");
alg.setPropertyValue("OutputWorkspaceBinned", "IvsQ_binned");
alg.setPropertyValue("OutputWorkspaceWavelength", "IvsLam");
TS_ASSERT_THROWS_ANYTHING(alg.execute());
}
void test_bad_monitor_background_range() {
ReflectometryReductionOneAuto2 alg;
alg.setChild(true);
alg.initialize();
alg.setProperty("InputWorkspace", m_TOF);
alg.setProperty("WavelengthMin", 1.0);
alg.setProperty("WavelengthMax", 15.0);
alg.setProperty("ProcessingInstructions", "0");
alg.setProperty("MonitorBackgroundWavelengthMin", 3.0);
alg.setProperty("MonitorBackgroundWavelengthMax", 0.5);
alg.setPropertyValue("OutputWorkspace", "IvsQ");
alg.setPropertyValue("OutputWorkspaceBinned", "IvsQ_binned");
alg.setPropertyValue("OutputWorkspaceWavelength", "IvsLam");
TS_ASSERT_THROWS_ANYTHING(alg.execute());
}
void test_bad_monitor_integration_range() {
ReflectometryReductionOneAuto2 alg;
alg.setChild(true);
alg.initialize();
alg.setProperty("InputWorkspace", m_TOF);
alg.setProperty("WavelengthMin", 1.0);
alg.setProperty("WavelengthMax", 15.0);
alg.setProperty("ProcessingInstructions", "0");
alg.setProperty("MonitorIntegrationWavelengthMin", 15.0);
alg.setProperty("MonitorIntegrationWavelengthMax", 1.5);
alg.setPropertyValue("OutputWorkspace", "IvsQ");
alg.setPropertyValue("OutputWorkspaceBinned", "IvsQ_binned");
alg.setPropertyValue("OutputWorkspaceWavelength", "IvsLam");
TS_ASSERT_THROWS_ANYTHING(alg.execute());
}
void test_bad_first_transmission_run_units() {
ReflectometryReductionOneAuto2 alg;
alg.setChild(true);
alg.initialize();
alg.setProperty("InputWorkspace", m_TOF);
alg.setProperty("FirstTransmissionRun", m_notTOF);
alg.setProperty("WavelengthMin", 1.0);
alg.setProperty("WavelengthMax", 15.0);
alg.setProperty("ProcessingInstructions", "0");
alg.setProperty("MonitorIntegrationWavelengthMin", 1.0);
alg.setProperty("MonitorIntegrationWavelengthMax", 15.0);
alg.setPropertyValue("OutputWorkspace", "IvsQ");
alg.setPropertyValue("OutputWorkspaceBinned", "IvsQ_binned");
168
169
170
171
172
173
174
175
176
177
178
179
180
181
182
183
184
185
186
187
188
189
190
191
192
193
194
195
196
197
198
199
200
201
202
203
204
205
206
alg.setPropertyValue("OutputWorkspaceWavelength", "IvsLam");
TS_ASSERT_THROWS_ANYTHING(alg.execute());
}
void test_bad_second_transmission_run_units() {
ReflectometryReductionOneAuto2 alg;
alg.setChild(true);
alg.initialize();
alg.setProperty("InputWorkspace", m_TOF);
alg.setProperty("FirstTransmissionRun", m_TOF);
TS_ASSERT_THROWS_ANYTHING(
alg.setProperty("SecondTransmissionRun", m_notTOF));
}
void test_bad_first_transmission_group_size() {
MatrixWorkspace_sptr first = m_TOF->clone();
MatrixWorkspace_sptr second = m_TOF->clone();
MatrixWorkspace_sptr third = m_TOF->clone();
MatrixWorkspace_sptr fourth = m_TOF->clone();
WorkspaceGroup_sptr inputWSGroup = boost::make_shared<WorkspaceGroup>();
inputWSGroup->addWorkspace(first);
inputWSGroup->addWorkspace(second);
WorkspaceGroup_sptr transWSGroup = boost::make_shared<WorkspaceGroup>();
transWSGroup->addWorkspace(first);
transWSGroup->addWorkspace(second);
transWSGroup->addWorkspace(third);
transWSGroup->addWorkspace(fourth);
AnalysisDataService::Instance().addOrReplace("input", inputWSGroup);
AnalysisDataService::Instance().addOrReplace("trans", transWSGroup);
ReflectometryReductionOneAuto2 alg;
alg.initialize();
alg.setPropertyValue("InputWorkspace", "input");
alg.setPropertyValue("FirstTransmissionRun", "trans");
alg.setPropertyValue("PolarizationAnalysis", "None");
auto results = alg.validateInputs();
TS_ASSERT(results.count("FirstTransmissionRun"));
AnalysisDataService::Instance().remove("input");
AnalysisDataService::Instance().remove("input_1");
AnalysisDataService::Instance().remove("input_2");
AnalysisDataService::Instance().remove("trans");
AnalysisDataService::Instance().remove("trans_3");
AnalysisDataService::Instance().remove("trans_4");
}
void test_bad_second_transmission_group_size() {
MatrixWorkspace_sptr first = m_TOF->clone();
MatrixWorkspace_sptr second = m_TOF->clone();
MatrixWorkspace_sptr third = m_TOF->clone();
MatrixWorkspace_sptr fourth = m_TOF->clone();
WorkspaceGroup_sptr inputWSGroup = boost::make_shared<WorkspaceGroup>();
inputWSGroup->addWorkspace(first);
WorkspaceGroup_sptr firstWSGroup = boost::make_shared<WorkspaceGroup>();
firstWSGroup->addWorkspace(second);
WorkspaceGroup_sptr secondWSGroup = boost::make_shared<WorkspaceGroup>();
secondWSGroup->addWorkspace(third);
secondWSGroup->addWorkspace(fourth);
AnalysisDataService::Instance().addOrReplace("input", inputWSGroup);
AnalysisDataService::Instance().addOrReplace("first_trans", firstWSGroup);
AnalysisDataService::Instance().addOrReplace("second_trans", secondWSGroup);
ReflectometryReductionOneAuto2 alg;
alg.initialize();
alg.setPropertyValue("InputWorkspace", "input");
alg.setPropertyValue("FirstTransmissionRun", "first_trans");
alg.setPropertyValue("SecondTransmissionRun", "second_trans");
alg.setPropertyValue("PolarizationAnalysis", "None");
const auto results = alg.validateInputs();
TS_ASSERT(!results.count("FirstTransmissionRun"));
TS_ASSERT(results.count("SecondTransmissionRun"));
AnalysisDataService::Instance().remove("input");
AnalysisDataService::Instance().remove("input_1");
AnalysisDataService::Instance().remove("first_trans");
AnalysisDataService::Instance().remove("first_trans_1");
AnalysisDataService::Instance().remove("second_trans");
AnalysisDataService::Instance().remove("second_trans_1");
AnalysisDataService::Instance().remove("second_trans_2");
}
void test_correct_detector_position_INTER() {
auto inter = loadRun("INTER00013460.nxs");
// Use the default correction type, which is a vertical shift
ReflectometryReductionOneAuto2 alg;
alg.initialize();
alg.setChild(true);
alg.setProperty("InputWorkspace", inter);
alg.setProperty("CorrectionAlgorithm", "None");
alg.setProperty("OutputWorkspace", "IvsQ");
alg.setProperty("OutputWorkspaceBinned", "IvsQ_binned");
alg.setProperty("OutputWorkspaceWavelength", "IvsLam");
alg.setProperty("ProcessingInstructions", "3");
alg.execute();
MatrixWorkspace_sptr out = alg.getProperty("OutputWorkspace");
// Check default rebin params
const double qStep = alg.getProperty("MomentumTransferStep");
const double qMin = alg.getProperty("MomentumTransferMin");
const double qMax = alg.getProperty("MomentumTransferMax");
TS_ASSERT_DELTA(qStep, 0.034028, 1e-6);
TS_ASSERT_DELTA(qMin, out->x(0).front(), 1e-6);
TS_ASSERT_DELTA(qMax, out->x(0).back(), 1e-6);
// Compare instrument components before and after
auto instIn = inter->getInstrument();
auto instOut = out->getInstrument();
// The following components should not have been moved
TS_ASSERT_EQUALS(instIn->getComponentByName("monitor1")->getPos(),
instOut->getComponentByName("monitor1")->getPos());
TS_ASSERT_EQUALS(instIn->getComponentByName("monitor2")->getPos(),
instOut->getComponentByName("monitor2")->getPos());
TS_ASSERT_EQUALS(instIn->getComponentByName("monitor3")->getPos(),
instOut->getComponentByName("monitor3")->getPos());
TS_ASSERT_EQUALS(instIn->getComponentByName("linear-detector")->getPos(),
instOut->getComponentByName("linear-detector")->getPos());
// Only 'point-detector' should have been moved vertically (along Y)
auto point1In = instIn->getComponentByName("point-detector")->getPos();
auto point1Out = instOut->getComponentByName("point-detector")->getPos();
TS_ASSERT_EQUALS(point1In.X(), point1Out.X());
TS_ASSERT_EQUALS(point1In.Z(), point1Out.Z());
TS_ASSERT_DIFFERS(point1In.Y(), point1Out.Y());
TS_ASSERT_DELTA(point1Out.Y() /
(point1Out.Z() - instOut->getSample()->getPos().Z()),
std::tan(theta * 2 * M_PI / 180), 1e-4);
void test_correct_detector_position_rotation_POLREF() {
// Histograms in this run correspond to 'OSMOND' component
auto polref = loadRun("POLREF00014966.raw");
// Correct by rotating detectors around the sample
ReflectometryReductionOneAuto2 alg;
alg.initialize();
alg.setChild(true);
alg.setProperty("InputWorkspace", polref);
alg.setProperty("ThetaIn", 1.5);
alg.setProperty("DetectorCorrectionType", "RotateAroundSample");
alg.setProperty("AnalysisMode", "MultiDetectorAnalysis");
alg.setProperty("CorrectionAlgorithm", "None");
alg.setProperty("MomentumTransferStep", 0.01);
alg.setProperty("OutputWorkspace", "IvsQ");
alg.setProperty("OutputWorkspaceBinned", "IvsQ_binned");
alg.setProperty("OutputWorkspaceWavelength", "IvsLam");
alg.execute();
MatrixWorkspace_sptr out = alg.getProperty("OutputWorkspace");
// Compare instrument components before and after
auto instIn = polref->getInstrument();
auto instOut = out->getInstrument();
// The following components should not have been moved
TS_ASSERT_EQUALS(instIn->getComponentByName("monitor1")->getPos(),
instOut->getComponentByName("monitor1")->getPos());
TS_ASSERT_EQUALS(instIn->getComponentByName("monitor2")->getPos(),
instOut->getComponentByName("monitor2")->getPos());
TS_ASSERT_EQUALS(instIn->getComponentByName("monitor3")->getPos(),
instOut->getComponentByName("monitor3")->getPos());
TS_ASSERT_EQUALS(instIn->getComponentByName("point-detector")->getPos(),
instOut->getComponentByName("point-detector")->getPos());
TS_ASSERT_EQUALS(instIn->getComponentByName("lineardetector")->getPos(),
instOut->getComponentByName("lineardetector")->getPos());
// Only 'OSMOND' should have been moved both vertically and in the beam
// direction (along X and Z)
auto detectorIn = instIn->getComponentByName("OSMOND")->getPos();
auto detectorOut = instOut->getComponentByName("OSMOND")->getPos();
TS_ASSERT_DELTA(detectorOut.X(), 25.99589, 1e-5);
TS_ASSERT_EQUALS(detectorIn.Y(), detectorOut.Y());
TS_ASSERT_DELTA(detectorOut.Z(), 0.1570, 1e-5);
void test_correct_detector_position_vertical_CRISP() {
// Histogram in this run corresponds to 'point-detector' component
auto polref = loadRun("CSP79590.raw");
// Correct by shifting detectors vertically
// Also explicitly pass CorrectDetectors=1
ReflectometryReductionOneAuto2 alg;
alg.initialize();
alg.setChild(true);
alg.setProperty("InputWorkspace", polref);
alg.setProperty("ThetaIn", 0.25);
alg.setProperty("CorrectDetectors", "1");
alg.setProperty("DetectorCorrectionType", "VerticalShift");
alg.setProperty("CorrectionAlgorithm", "None");
alg.setProperty("MomentumTransferStep", 0.01);
alg.setProperty("OutputWorkspace", "IvsQ");
alg.setProperty("OutputWorkspaceBinned", "IvsQ_binned");
368
369
370
371
372
373
374
375
376
377
378
379
380
381
382
383
384
385
386
387
388
389
390
391
392
393
394
395
alg.setProperty("OutputWorkspaceWavelength", "IvsLam");
alg.execute();
MatrixWorkspace_sptr out = alg.getProperty("OutputWorkspace");
// Compare instrument components before and after
auto instIn = polref->getInstrument();
auto instOut = out->getInstrument();
// The following components should not have been moved
TS_ASSERT_EQUALS(instIn->getComponentByName("monitor1")->getPos(),
instOut->getComponentByName("monitor1")->getPos());
TS_ASSERT_EQUALS(instIn->getComponentByName("monitor2")->getPos(),
instOut->getComponentByName("monitor2")->getPos());
TS_ASSERT_EQUALS(instIn->getComponentByName("linear-detector")->getPos(),
instOut->getComponentByName("linear-detector")->getPos());
// Only 'point-detector' should have been moved vertically (along Y)
auto detectorIn = instIn->getComponentByName("point-detector")->getPos();
auto detectorOut = instOut->getComponentByName("point-detector")->getPos();
TS_ASSERT_EQUALS(detectorIn.X(), detectorOut.X());
TS_ASSERT_EQUALS(detectorIn.Z(), detectorOut.Z());
TS_ASSERT_DELTA(detectorOut.Y() /
(detectorOut.Z() - instOut->getSample()->getPos().Z()),
std::tan(0.25 * 2 * M_PI / 180), 1e-4);
}
void test_correct_detector_position_from_logs() {
auto inter = loadRun("INTER00013460.nxs");
double theta = 0.7;
// Use theta from the logs to correct detector positions
ReflectometryReductionOneAuto2 alg;
alg.initialize();
alg.setChild(true);
alg.setProperty("InputWorkspace", inter);
alg.setProperty("ThetaLogName", "theta");
alg.setProperty("CorrectionAlgorithm", "None");
alg.setProperty("OutputWorkspace", "IvsQ");
alg.setProperty("OutputWorkspaceBinned", "IvsQ_binned");
alg.setProperty("OutputWorkspaceWavelength", "IvsLam");
alg.setProperty("ProcessingInstructions", "3");
alg.execute();
MatrixWorkspace_sptr corrected = alg.getProperty("OutputWorkspace");
// Compare instrument components before and after
auto instIn = inter->getInstrument();
auto instOut = corrected->getInstrument();
// The following components should not have been moved
TS_ASSERT_EQUALS(instIn->getComponentByName("monitor1")->getPos(),
instOut->getComponentByName("monitor1")->getPos());
TS_ASSERT_EQUALS(instIn->getComponentByName("monitor2")->getPos(),
instOut->getComponentByName("monitor2")->getPos());
TS_ASSERT_EQUALS(instIn->getComponentByName("monitor3")->getPos(),
instOut->getComponentByName("monitor3")->getPos());
TS_ASSERT_EQUALS(instIn->getComponentByName("linear-detector")->getPos(),
instOut->getComponentByName("linear-detector")->getPos());
// Only 'point-detector' should have been moved
// vertically (along Y)
auto point1In = instIn->getComponentByName("point-detector")->getPos();
auto point1Out = instOut->getComponentByName("point-detector")->getPos();
TS_ASSERT_EQUALS(point1In.X(), point1Out.X());
TS_ASSERT_EQUALS(point1In.Z(), point1Out.Z());
TS_ASSERT_DIFFERS(point1In.Y(), point1Out.Y());
TS_ASSERT_DELTA(point1Out.Y() /
(point1Out.Z() - instOut->getSample()->getPos().Z()),
std::tan(theta * 2 * M_PI / 180), 1e-4);
}
void test_override_ThetaIn_without_correcting_detectors() {
auto inter = loadRun("INTER00013460.nxs");
ReflectometryReductionOneAuto2 alg;
alg.initialize();
alg.setChild(true);
alg.setProperty("InputWorkspace", inter);
alg.setProperty("ThetaIn", 10.0);
alg.setProperty("CorrectionAlgorithm", "None");
alg.setProperty("OutputWorkspace", "IvsQ");
alg.setProperty("OutputWorkspaceBinned", "IvsQ_binned");
alg.setProperty("OutputWorkspaceWavelength", "IvsLam");
alg.setProperty("ProcessingInstructions", "3");
alg.execute();
MatrixWorkspace_sptr corrected = alg.getProperty("OutputWorkspace");
// Compare instrument components before and after
auto instIn = inter->getInstrument();
auto instOut = corrected->getInstrument();
// the detectors should not have been moved
auto point1In = instIn->getComponentByName("point-detector")->getPos();
auto point1Out = instOut->getComponentByName("point-detector")->getPos();
TS_ASSERT_EQUALS(point1In, point1Out);
}
472
473
474
475
476
477
478
479
480
481
482
483
484
485
486
487
488
489
490
491
492
493
494
495
496
497
498
499
500
void test_sum_transmission_workspaces() {
MatrixWorkspace_sptr first = m_TOF->clone();
MatrixWorkspace_sptr second = m_TOF->clone();
MatrixWorkspace_sptr third = m_TOF->clone();
MatrixWorkspace_sptr fourth = m_TOF->clone();
WorkspaceGroup_sptr group = boost::make_shared<WorkspaceGroup>();
group->addWorkspace(first);
group->addWorkspace(second);
group->addWorkspace(third);
group->addWorkspace(fourth);
ReflectometryReductionOneAuto2 alg;
auto sum = alg.sumTransmissionWorkspaces(group);
// Input workspaces remain the same
TS_ASSERT_EQUALS(first->blocksize(), 20);
TS_ASSERT_EQUALS(second->blocksize(), 20);
TS_ASSERT_EQUALS(third->blocksize(), 20);
TS_ASSERT_EQUALS(fourth->blocksize(), 20);
TS_ASSERT_EQUALS(first->y(0)[0], 2);
TS_ASSERT_EQUALS(second->y(0)[0], 2);
TS_ASSERT_EQUALS(third->y(0)[0], 2);
TS_ASSERT_EQUALS(fourth->y(0)[0], 2);
// Output workspace
TS_ASSERT_EQUALS(sum->blocksize(), 20);
TS_ASSERT_DELTA(sum->y(0)[0], 4 * 2, 1e-6);
}
void test_IvsQ_linear_binning() {
ReflectometryReductionOneAuto2 alg;
alg.setChild(true);
alg.initialize();
alg.setProperty("InputWorkspace", m_TOF);
alg.setProperty("WavelengthMin", 1.5);
alg.setProperty("WavelengthMax", 15.0);
alg.setProperty("ProcessingInstructions", "1");
alg.setProperty("MomentumTransferMin", 1.0);
alg.setProperty("MomentumTransferMax", 10.0);
alg.setProperty("MomentumTransferStep", -0.04);
alg.setPropertyValue("OutputWorkspace", "IvsQ");
alg.setPropertyValue("OutputWorkspaceBinned", "IvsQ_binned");
alg.setPropertyValue("OutputWorkspaceWavelength", "IvsLam");
alg.execute();
MatrixWorkspace_sptr outQbinned = alg.getProperty("OutputWorkspaceBinned");
// Check the rebin params have not changed
const double qStep = alg.getProperty("MomentumTransferStep");
const double qMin = alg.getProperty("MomentumTransferMin");
const double qMax = alg.getProperty("MomentumTransferMax");
TS_ASSERT_EQUALS(qStep, -0.04);
TS_ASSERT_EQUALS(qMin, 1.0);
TS_ASSERT_EQUALS(qMax, 10.0);
528
529
530
531
532
533
534
535
536
537
538
539
540
541
542
543
544
545
546
547
548
549
550
551
552
553
554
555
556
557
558
559
560
561
562
563
564
565
566
567
568
569
570
571
572
573
574
575
576
TS_ASSERT_EQUALS(outQbinned->getNumberHistograms(), 1);
// blocksize = (10.0 - 1.0) / 0.04
TS_ASSERT_EQUALS(outQbinned->blocksize(), 225);
TS_ASSERT_DELTA(outQbinned->x(0)[1] - outQbinned->x(0)[0], 0.04, 1e-6);
TS_ASSERT_DELTA(outQbinned->x(0)[2] - outQbinned->x(0)[1], 0.04, 1e-6);
}
void test_IvsQ_logarithmic_binning() {
ReflectometryReductionOneAuto2 alg;
alg.setChild(true);
alg.initialize();
alg.setProperty("InputWorkspace", m_TOF);
alg.setProperty("WavelengthMin", 1.5);
alg.setProperty("WavelengthMax", 15.0);
alg.setProperty("ProcessingInstructions", "1");
alg.setProperty("MomentumTransferMin", 1.0);
alg.setProperty("MomentumTransferMax", 10.0);
alg.setProperty("MomentumTransferStep", 0.04);
alg.setPropertyValue("OutputWorkspace", "IvsQ");
alg.setPropertyValue("OutputWorkspaceBinned", "IvsQ_binned");
alg.setPropertyValue("OutputWorkspaceWavelength", "IvsLam");
alg.execute();
MatrixWorkspace_sptr outQbinned = alg.getProperty("OutputWorkspaceBinned");
TS_ASSERT_EQUALS(outQbinned->getNumberHistograms(), 1);
TS_ASSERT_DIFFERS(outQbinned->blocksize(), 8);
TS_ASSERT_DELTA(outQbinned->x(0)[1] - outQbinned->x(0)[0], 0.04, 1e-6);
TS_ASSERT(outQbinned->x(0)[7] - outQbinned->x(0)[6] > 0.05);
}
void test_IvsQ_q_range() {
ReflectometryReductionOneAuto2 alg;
alg.setChild(true);
alg.initialize();
alg.setProperty("InputWorkspace", m_TOF);
alg.setProperty("WavelengthMin", 1.5);
alg.setProperty("WavelengthMax", 15.0);
alg.setProperty("ProcessingInstructions", "2");
alg.setProperty("MomentumTransferStep", 0.04);
alg.setPropertyValue("OutputWorkspace", "IvsQ");
alg.setPropertyValue("OutputWorkspaceBinned", "IvsQ_binned");
alg.setPropertyValue("OutputWorkspaceWavelength", "IvsLam");
alg.execute();
MatrixWorkspace_sptr outQ = alg.getProperty("OutputWorkspace");
MatrixWorkspace_sptr outLam = alg.getProperty("OutputWorkspaceWavelength");
TS_ASSERT_EQUALS(outQ->getNumberHistograms(), 1);
// X range in outLam
TS_ASSERT_DELTA(outLam->x(0)[0], 1.7924, 0.0001);
TS_ASSERT_DELTA(outLam->x(0)[7], 8.0658, 0.0001);
// X range in outQ
TS_ASSERT_DELTA(outQ->x(0)[0], 0.3353, 0.0001);
TS_ASSERT_DELTA(outQ->x(0)[7], 0.5962, 0.0001);
}
void test_polarization_correction_PA() {
std::string const name = "input";
prepareInputGroup(name);
ReflectometryReductionOneAuto2 alg;
alg.initialize();
alg.setPropertyValue("InputWorkspace", name);
alg.setProperty("WavelengthMin", 1.0);
alg.setProperty("WavelengthMax", 15.0);
alg.setProperty("ThetaIn", 10.0);
alg.setProperty("ProcessingInstructions", "1");
alg.setProperty("MomentumTransferStep", 0.04);
alg.setProperty("PolarizationAnalysis", "PA");
alg.setProperty("Pp", "1,1,2");
alg.setProperty("Ap", "1,1,2");
alg.setProperty("Rho", "1,1");
alg.setProperty("Alpha", "1");
alg.setPropertyValue("OutputWorkspace", "IvsQ");
alg.setPropertyValue("OutputWorkspaceBinned", "IvsQ_binned");
alg.setPropertyValue("OutputWorkspaceWavelength", "IvsLam");
alg.execute();
auto outQGroup = retrieveOutWS("IvsQ");
auto outLamGroup = retrieveOutWS("IvsLam");
611
612
613
614
615
616
617
618
619
620
621
622
623
624
625
626
627
628
629
630
631
632
633
634
635
636
TS_ASSERT_EQUALS(outQGroup.size(), 4);
TS_ASSERT_EQUALS(outLamGroup.size(), 4);
TS_ASSERT_EQUALS(outLamGroup[0]->blocksize(), 9);
// X range in outLam
TS_ASSERT_DELTA(outLamGroup[0]->x(0).front(), 2.0729661466, 0.0001);
TS_ASSERT_DELTA(outLamGroup[0]->x(0).back(), 14.2963182408, 0.0001);
TS_ASSERT_DELTA(outLamGroup[0]->y(0)[0], 0.8127852881, 0.0001);
TS_ASSERT_DELTA(outLamGroup[1]->y(0)[0], 0.8074941448, 0.0001);
TS_ASSERT_DELTA(outLamGroup[2]->y(0)[0], 0.8083315026, 0.0001);
TS_ASSERT_DELTA(outLamGroup[3]->y(0)[0], 0.8030403573, 0.0001);
TS_ASSERT_EQUALS(outQGroup[0]->blocksize(), 9);
TS_ASSERT_DELTA(outQGroup[0]->y(0)[0], 0.8373565748, 0.0001);
TS_ASSERT_DELTA(outQGroup[1]->y(0)[0], 0.8370971542, 0.0001);
TS_ASSERT_DELTA(outQGroup[2]->y(0)[0], 0.8372901304, 0.0001);
TS_ASSERT_DELTA(outQGroup[3]->y(0)[0], 0.8370307108, 0.0001);
ADS.clear();
}
void test_polarization_correction_PNR_wrong_input() {
std::string const name = "input";
prepareInputGroup(name);
ReflectometryReductionOneAuto2 alg;
alg.initialize();
alg.setPropertyValue("InputWorkspace", name);
alg.setProperty("WavelengthMin", 1.0);
alg.setProperty("ThetaIn", 10.0);
alg.setProperty("ProcessingInstructions", "1");
alg.setProperty("MomentumTransferStep", 0.04);
alg.setProperty("PolarizationAnalysis", "PNR");
alg.setProperty("Pp", "1,1,2");
alg.setProperty("Ap", "1,1,2");
alg.setProperty("Rho", "1,1");
alg.setProperty("Alpha", "1");
alg.setPropertyValue("OutputWorkspace", "IvsQ");
alg.setPropertyValue("OutputWorkspaceBinned", "IvsQ_binned");
alg.setPropertyValue("OutputWorkspaceWavelength", "IvsLam");
TS_ASSERT_THROWS_EQUALS(
alg.execute(), std::invalid_argument & e, std::string(e.what()),
"For PNR analysis, input group must have 2 periods.");
}
void test_polarization_correction_PNR() {
std::string const name = "input";
prepareInputGroup(name, "", 2);
ReflectometryReductionOneAuto2 alg;
alg.initialize();
alg.setPropertyValue("InputWorkspace", name);
alg.setProperty("WavelengthMin", 1.0);
alg.setProperty("WavelengthMax", 15.0);
alg.setProperty("ThetaIn", 10.0);
alg.setProperty("ProcessingInstructions", "1");
alg.setProperty("MomentumTransferStep", 0.04);
alg.setProperty("PolarizationAnalysis", "PNR");
alg.setProperty("Pp", "1,1,2");
alg.setProperty("Rho", "1,1");
alg.setPropertyValue("OutputWorkspace", "IvsQ");
alg.setPropertyValue("OutputWorkspaceBinned", "IvsQ_binned");
alg.setPropertyValue("OutputWorkspaceWavelength", "IvsLam");
auto outQGroup = retrieveOutWS("IvsQ");
auto outLamGroup = retrieveOutWS("IvsLam");
TS_ASSERT_EQUALS(outQGroup.size(), 2);
TS_ASSERT_EQUALS(outLamGroup.size(), 2);
TS_ASSERT_EQUALS(outLamGroup[0]->blocksize(), 9);
TS_ASSERT_DELTA(outLamGroup[0]->x(0).front(), 2.0729661466, 0.0001);
TS_ASSERT_DELTA(outLamGroup[0]->x(0).back(), 14.2963182408, 0.0001);
TS_ASSERT_DELTA(outLamGroup[0]->y(0)[0], 0.8800698581, 0.0001);
TS_ASSERT_DELTA(outLamGroup[1]->y(0)[0], 0.8778429658, 0.0001);
TS_ASSERT_EQUALS(outQGroup[0]->blocksize(), 9);
TS_ASSERT_DELTA(outQGroup[0]->y(0)[0], 0.8936134321, 0.0001);
TS_ASSERT_DELTA(outQGroup[1]->y(0)[0], 0.8935802109, 0.0001);
void test_polarization_correction_default() {
std::string const name = "input";
prepareInputGroup(name, "Fredrikze");
ReflectometryReductionOneAuto2 alg;
alg.initialize();
alg.setPropertyValue("InputWorkspace", name);
alg.setProperty("ThetaIn", 0.01);
alg.setProperty("WavelengthMin", 1.0);
alg.setProperty("WavelengthMax", 15.0);
alg.setProperty("ProcessingInstructions", "1");
alg.setProperty("MomentumTransferStep", 0.04);
alg.setProperty("PolarizationAnalysis", "ParameterFile");
alg.setPropertyValue("OutputWorkspace", "IvsQ");
alg.setPropertyValue("OutputWorkspaceBinned", "IvsQ_binned");
alg.setPropertyValue("OutputWorkspaceWavelength", "IvsLam");
alg.execute();
auto outQGroup = retrieveOutWS("IvsQ");
auto outLamGroup = retrieveOutWS("IvsLam");
722
723
724
725
726
727
728
729
730
731
732
733
734
735
736
737
738
739
740
741
742
743
744
745
746
747
TS_ASSERT_EQUALS(outQGroup.size(), 4);
TS_ASSERT_EQUALS(outLamGroup.size(), 4);
TS_ASSERT_EQUALS(outLamGroup[0]->blocksize(), 9);
// X range in outLam
TS_ASSERT_DELTA(outLamGroup[0]->x(0).front(), 2.0729661466, 0.0001);
TS_ASSERT_DELTA(outLamGroup[0]->x(0).back(), 14.2963182408, 0.0001);
TS_ASSERT_DELTA(outLamGroup[0]->y(0)[0], 0.8127852881, 0.0001);
TS_ASSERT_DELTA(outLamGroup[1]->y(0)[0], 0.8074941448, 0.0001);
TS_ASSERT_DELTA(outLamGroup[2]->y(0)[0], 0.8083315026, 0.0001);
TS_ASSERT_DELTA(outLamGroup[3]->y(0)[0], 0.8030403573, 0.0001);
TS_ASSERT_EQUALS(outQGroup[0]->blocksize(), 9);
TS_ASSERT_DELTA(outQGroup[0]->y(0)[0], 0.8373565748, 0.0001);
TS_ASSERT_DELTA(outQGroup[1]->y(0)[0], 0.8370971542, 0.0001);
TS_ASSERT_DELTA(outQGroup[2]->y(0)[0], 0.8372901304, 0.0001);
TS_ASSERT_DELTA(outQGroup[3]->y(0)[0], 0.8370307108, 0.0001);
ADS.clear();
}
void test_monitor_index_in_group() {
std::string const name = "input";
prepareInputGroup(name);
ReflectometryReductionOneAuto2 alg;
alg.setPropertyValue("InputWorkspace", name);
alg.setProperty("ThetaIn", 10.0);
alg.setProperty("WavelengthMin", 1.0);
alg.setProperty("WavelengthMax", 5.0);
alg.setProperty("ProcessingInstructions", "0");
alg.setProperty("MomentumTransferStep", 0.04);
alg.setProperty("PolarizationAnalysis", "ParameterFile");
alg.setPropertyValue("OutputWorkspace", "IvsQ");
alg.setPropertyValue("OutputWorkspaceBinned", "IvsQ_binned");
alg.setPropertyValue("OutputWorkspaceWavelength", "IvsLam");
TS_ASSERT_THROWS_EQUALS(
alg.execute(), std::invalid_argument & e, std::string(e.what()),
"A detector is expected at spectrum 0, found a monitor");
}
void test_I0MonitorIndex_is_detector() {
std::string const name = "input";
prepareInputGroup(name);
ReflectometryReductionOneAuto2 alg;
alg.setRethrows(true);
alg.initialize();
alg.setPropertyValue("InputWorkspace", name);
alg.setProperty("ThetaIn", 10.0);
alg.setProperty("WavelengthMin", 1.0);
alg.setProperty("WavelengthMax", 5.0);
alg.setPropertyValue("I0MonitorIndex", "1");
alg.setProperty("ProcessingInstructions", "1");
alg.setProperty("MomentumTransferStep", 0.04);
alg.setProperty("PolarizationAnalysis", "ParameterFile");
alg.setPropertyValue("OutputWorkspace", "IvsQ");
alg.setPropertyValue("OutputWorkspaceBinned", "IvsQ_binned");
alg.setPropertyValue("OutputWorkspaceWavelength", "IvsLam");
TS_ASSERT_THROWS_EQUALS(
alg.execute(), std::invalid_argument & e, std::string(e.what()),
"A monitor is expected at spectrum index 1");
791
792
793
794
795
796
797
798
799
800
801
802
803
804
805
806
807
808
809
810
811
812
813
814
815
816
817
818
819
820
821
822
823
824
825
826
827
828
829
MatrixWorkspace_sptr createWSTOF(size_t nBins, double startX, double endX,
std::vector<double> values, std::string const ¶msType) const {
std::string const &unitX("TOF");
double const dX = (endX - startX) / double(nBins);
BinEdges xVals(nBins + 1, LinearGenerator(startX, dX));
size_t nSpec = values.size();
std::vector<double> yVals(nSpec * nBins);
for (size_t i = 0; i < nSpec; ++i) {
std::fill(yVals.begin() + i * nBins, yVals.begin() + (i + 1) * nBins,
values[i]);
}
CreateWorkspace creator;
creator.setChild(true);
creator.initialize();
creator.setProperty("DataX", xVals.rawData());
creator.setProperty("DataY", yVals);
creator.setProperty("NSpec", int(nSpec));
creator.setProperty("UnitX", unitX);
creator.setPropertyValue("OutputWorkspace", "dummy");
creator.execute();
MatrixWorkspace_sptr workspace = creator.getProperty("OutputWorkspace");
LoadInstrument instrumentLoader;
instrumentLoader.initialize();
instrumentLoader.setPropertyValue("Filename",
"IDFs_for_UNIT_TESTING/REFL_Definition.xml");
instrumentLoader.setProperty("Workspace", workspace);
instrumentLoader.setProperty("RewriteSpectraMap", OptionalBool(true));
instrumentLoader.execute();
if (!paramsType.empty()) {
LoadParameterFile paramLoader;
paramLoader.initialize();
paramLoader.setPropertyValue("Filename", "IDFs_for_UNIT_TESTING/REFL_Parameters_" + paramsType + ".xml");
paramLoader.setProperty("Workspace", workspace);
paramLoader.execute();
}
return workspace;
}
833
834
835
836
837
838
839
840
841
842
843
844
845
846
847
848
849
850
851
852
853
854
855
856
857
858
859
860
861
862
863
864
865
866
867
868
869
870
871
872
873
874
875
876
877
void prepareInputGroup(std::string const &name,
std::string const ¶msType = "", size_t size = 4,
double const startX = 5000.0,
double const endX = 100000.0) {
double monitorValue = 99.0;
double detectorValue = 0.9;
std::string names;
for (size_t i = 0; i < size; ++i) {
std::vector<double> values(257, detectorValue);
values[0] = monitorValue;
MatrixWorkspace_sptr ws = createWSTOF(
10, startX, endX, values, paramsType);
std::string const name1 = name + "_" + std::to_string(i + 1);
ADS.addOrReplace(name1, ws);
monitorValue -= 1.0;
detectorValue -= 0.1;
if (i > 0)
names.append(",");
names.append(name1);
}
GroupWorkspaces mkGroup;
mkGroup.initialize();
mkGroup.setProperty("InputWorkspaces", names);
mkGroup.setProperty("OutputWorkspace", name);
mkGroup.execute();
}
std::vector<MatrixWorkspace_sptr> retrieveOutWS(std::string const name) {
std::vector<MatrixWorkspace_sptr> out;
auto group =
AnalysisDataService::Instance().retrieveWS<WorkspaceGroup>(name);
TS_ASSERT(group);
if (!group)
return out;
for (size_t i = 0; i < group->size(); ++i) {
out.emplace_back(
boost::dynamic_pointer_cast<MatrixWorkspace>(group->getItem(i)));
}
return out;
}
};
#endif /* MANTID_ALGORITHMS_REFLECTOMETRYREDUCTIONONEAUTO2TEST_H_ */