-
Nick Draper authored
Update copyright headers in all files Squashed commit of the following: * First version of a script to manage copyright statements re #23468 * Neatened up script, added comments re #23488 * move script to tools directory re #23488 * small script changes and a couple of manual file changes re #23488 * Minor chnage to whitespace detection in regex re #23488 * Add an excluded directory re #23488 * remove a repeasted copyright statement in a file re #23488 * Don't comsume the comment end if it is on the same line re #23488 * fix error in new copright parsing re #23488 * remove double copyrifght entry re #23488 * Improve handling of old copyrights at the start of comments re #23488 * remove empty comments re #23488 * exclude gsoapgenerated directories re #23488 * Sort out greedy line matching re #23488 * improve empty comment removal re #23488 * improve false positives re #23488 * impressive speedup by limiting regex matching length re #23488 * remove evil invisible non ascii character Also upadte the copyright at the same time re #23488 * resolve multiple copyrights in a single file re #23488 * resolve an issue with new statement detection re #23488 * another unprintable unicode character re #23488 * pep updates and cmake the new copyright fit clang format re #23488 * update already done new format headers re #23488 * wrong type of bracket re #23488 * Update class_maker and friends re #23488 * Update all copyright statements re #23488 * clang format re #23488 * flake8 warnings re #23488 * Flake8 warnings re #23488 * Exclude .cmake.in and rb.in files re #23488 * replace missing line re #23488 * exclude .py.in files as they are flasely recognized as C++ re #23488 * another setp.py.in re #23488 * another .py.in correction re #23488 * Hopefully the last of the .py.in files re #23488 * resolve utf-8 encoding of python files and changed ABINS checksum re #23488 * updates to unit tests that reference line numbers re #23488 * remaining unit test files and other fixes re #23488
Nick Draper authoredUpdate copyright headers in all files Squashed commit of the following: * First version of a script to manage copyright statements re #23468 * Neatened up script, added comments re #23488 * move script to tools directory re #23488 * small script changes and a couple of manual file changes re #23488 * Minor chnage to whitespace detection in regex re #23488 * Add an excluded directory re #23488 * remove a repeasted copyright statement in a file re #23488 * Don't comsume the comment end if it is on the same line re #23488 * fix error in new copright parsing re #23488 * remove double copyrifght entry re #23488 * Improve handling of old copyrights at the start of comments re #23488 * remove empty comments re #23488 * exclude gsoapgenerated directories re #23488 * Sort out greedy line matching re #23488 * improve empty comment removal re #23488 * improve false positives re #23488 * impressive speedup by limiting regex matching length re #23488 * remove evil invisible non ascii character Also upadte the copyright at the same time re #23488 * resolve multiple copyrights in a single file re #23488 * resolve an issue with new statement detection re #23488 * another unprintable unicode character re #23488 * pep updates and cmake the new copyright fit clang format re #23488 * update already done new format headers re #23488 * wrong type of bracket re #23488 * Update class_maker and friends re #23488 * Update all copyright statements re #23488 * clang format re #23488 * flake8 warnings re #23488 * Flake8 warnings re #23488 * Exclude .cmake.in and rb.in files re #23488 * replace missing line re #23488 * exclude .py.in files as they are flasely recognized as C++ re #23488 * another setp.py.in re #23488 * another .py.in correction re #23488 * Hopefully the last of the .py.in files re #23488 * resolve utf-8 encoding of python files and changed ABINS checksum re #23488 * updates to unit tests that reference line numbers re #23488 * remaining unit test files and other fixes re #23488
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ReflectometryReductionOneAuto2Test.h 50.48 KiB
// Mantid Repository : https://github.com/mantidproject/mantid
//
// Copyright © 2018 ISIS Rutherford Appleton Laboratory UKRI,
// NScD Oak Ridge National Laboratory, European Spallation Source
// & Institut Laue - Langevin
// SPDX - License - Identifier: GPL - 3.0 +
#ifndef MANTID_ALGORITHMS_REFLECTOMETRYREDUCTIONONEAUTO2TEST_H_
#define MANTID_ALGORITHMS_REFLECTOMETRYREDUCTIONONEAUTO2TEST_H_
#include <cxxtest/TestSuite.h>
#include "MantidAlgorithms/ReflectometryReductionOneAuto2.h"
#include "MantidAPI/AnalysisDataService.h"
#include "MantidAPI/FrameworkManager.h"
#include "MantidAPI/MatrixWorkspace.h"
#include "MantidAPI/Run.h"
#include "MantidAPI/WorkspaceGroup.h"
#include "MantidAlgorithms/GroupWorkspaces.h"
#include "MantidGeometry/Instrument.h"
#include "MantidTestHelpers/ReflectometryHelper.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;
using namespace Mantid::TestHelpers;
class ReflectometryReductionOneAuto2Test : public CxxTest::TestSuite {
private:
MatrixWorkspace_sptr m_notTOF;
MatrixWorkspace_sptr m_TOF;
AnalysisDataServiceImpl &ADS = AnalysisDataService::Instance();
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();
};
void momentumTransferHelper(ReflectometryReductionOneAuto2 &alg,
MatrixWorkspace_sptr &inter,
const double &theta) {
alg.setChild(true);
alg.setProperty("InputWorkspace", inter);
alg.setProperty("ThetaIn", theta); alg.setProperty("CorrectionAlgorithm", "None");
alg.setProperty("ProcessingInstructions", "3");
alg.setProperty("Debug", false);
}
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");
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");
const double theta = 0.7;
// Use the default correction type, which is a vertical shift
ReflectometryReductionOneAuto2 alg;
alg.initialize();
alg.setChild(true);
alg.setProperty("InputWorkspace", inter);
alg.setProperty("ThetaIn", 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 out = alg.getProperty("OutputWorkspaceBinned");
// 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");
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("CorrectDetectors", "1");
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("CorrectDetectors", "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);
}
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);
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);
TS_ASSERT_EQUALS(outQ->blocksize(), 14);
// 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_optional_outputs() {
auto inter = loadRun("INTER00013460.nxs");
const double theta = 0.7;
// Use the default correction type, which is a vertical shift
ReflectometryReductionOneAuto2 alg;
alg.initialize();
alg.setProperty("InputWorkspace", inter);
alg.setProperty("ThetaIn", theta);
alg.setProperty("CorrectionAlgorithm", "None");
alg.setProperty("ProcessingInstructions", "3");
alg.execute();
TS_ASSERT(AnalysisDataService::Instance().doesExist("IvsQ_binned_13460"));
TS_ASSERT(AnalysisDataService::Instance().doesExist("IvsQ_13460"));
TS_ASSERT(!AnalysisDataService::Instance().doesExist("IvsLam_13460"));
AnalysisDataService::Instance().clear();
}
void test_optional_outputs_binned() {
auto inter = loadRun("INTER00013460.nxs");
const double theta = 0.7;
// Use the default correction type, which is a vertical shift
ReflectometryReductionOneAuto2 alg;
alg.initialize();
alg.setProperty("InputWorkspace", inter);
alg.setProperty("ThetaIn", theta);
alg.setProperty("CorrectionAlgorithm", "None");
alg.setProperty("ProcessingInstructions", "3");
alg.setProperty("OutputWorkspaceBinned", "IvsQ_binned");
alg.execute();
TS_ASSERT(AnalysisDataService::Instance().doesExist("IvsQ_binned"));
TS_ASSERT(!AnalysisDataService::Instance().doesExist("IvsQ_binned_13460"));
TS_ASSERT(AnalysisDataService::Instance().doesExist("IvsQ_13460"));
TS_ASSERT(!AnalysisDataService::Instance().doesExist("IvsLam_13460"));
AnalysisDataService::Instance().clear();
}
void test_optional_outputs_set() {
auto inter = loadRun("INTER00013460.nxs");
const double theta = 0.7;
// Use the default correction type, which is a vertical shift
ReflectometryReductionOneAuto2 alg;
alg.initialize();
alg.setProperty("InputWorkspace", inter);
alg.setProperty("ThetaIn", theta);
alg.setProperty("CorrectionAlgorithm", "None");
alg.setProperty("ProcessingInstructions", "3");
alg.setProperty("OutputWorkspaceBinned", "IvsQ_binned");
alg.setProperty("OutputWorkspace", "IvsQ");
alg.setProperty("OutputWorkspaceWavelength", "IvsLam");
alg.execute();
TS_ASSERT(AnalysisDataService::Instance().doesExist("IvsQ_binned"));
TS_ASSERT(AnalysisDataService::Instance().doesExist("IvsQ"));
TS_ASSERT(!AnalysisDataService::Instance().doesExist("IvsLam"));
AnalysisDataService::Instance().clear();
}
void test_default_outputs_debug() { auto inter = loadRun("INTER00013460.nxs");
const double theta = 0.7;
// Use the default correction type, which is a vertical shift
ReflectometryReductionOneAuto2 alg;
alg.initialize();
alg.setProperty("InputWorkspace", inter);
alg.setProperty("ThetaIn", theta);
alg.setProperty("CorrectionAlgorithm", "None");
alg.setProperty("ProcessingInstructions", "3");
alg.setProperty("Debug", true);
alg.execute();
TS_ASSERT(AnalysisDataService::Instance().doesExist("IvsQ_binned_13460"));
TS_ASSERT(AnalysisDataService::Instance().doesExist("IvsQ_13460"));
TS_ASSERT(AnalysisDataService::Instance().doesExist("IvsLam_13460"));
AnalysisDataService::Instance().clear();
}
void test_default_outputs_no_debug() {
auto inter = loadRun("INTER00013460.nxs");
const double theta = 0.7;
// Use the default correction type, which is a vertical shift
ReflectometryReductionOneAuto2 alg;
alg.initialize();
alg.setProperty("InputWorkspace", inter);
alg.setProperty("ThetaIn", theta);
alg.setProperty("CorrectionAlgorithm", "None");
alg.setProperty("ProcessingInstructions", "3");
alg.setProperty("Debug", false);
alg.execute();
TS_ASSERT(AnalysisDataService::Instance().doesExist("IvsQ_binned_13460"));
TS_ASSERT(AnalysisDataService::Instance().doesExist("IvsQ_13460"));
TS_ASSERT(!AnalysisDataService::Instance().doesExist("IvsLam_13460"));
AnalysisDataService::Instance().clear();
}
void test_default_outputs_no_run_number() {
auto inter = loadRun("INTER00013460.nxs");
const double theta = 0.7;
inter->mutableRun().removeProperty("run_number");
// Use the default correction type, which is a vertical shift
ReflectometryReductionOneAuto2 alg;
alg.initialize();
alg.setProperty("InputWorkspace", inter);
alg.setProperty("ThetaIn", theta);
alg.setProperty("CorrectionAlgorithm", "None");
alg.setProperty("ProcessingInstructions", "3");
alg.setProperty("Debug", true);
alg.execute();
TS_ASSERT(AnalysisDataService::Instance().doesExist("IvsQ_binned"));
TS_ASSERT(AnalysisDataService::Instance().doesExist("IvsQ"));
TS_ASSERT(AnalysisDataService::Instance().doesExist("IvsLam"));
AnalysisDataService::Instance().clear();
}
void test_default_outputs_no_run_number_no_debug() {
auto inter = loadRun("INTER00013460.nxs");
const double theta = 0.7;
inter->mutableRun().removeProperty("run_number");
// Use the default correction type, which is a vertical shift
ReflectometryReductionOneAuto2 alg; alg.initialize();
alg.setProperty("InputWorkspace", inter);
alg.setProperty("ThetaIn", theta);
alg.setProperty("CorrectionAlgorithm", "None");
alg.setProperty("ProcessingInstructions", "3");
alg.setProperty("Debug", false);
alg.execute();
TS_ASSERT(AnalysisDataService::Instance().doesExist("IvsQ_binned"));
TS_ASSERT(AnalysisDataService::Instance().doesExist("IvsQ"));
TS_ASSERT(!AnalysisDataService::Instance().doesExist("IvsLam"));
AnalysisDataService::Instance().clear();
}
void test_polarization_correction_PA() {
std::string const name = "input";
prepareInputGroup(name);
applyPolarizationEfficiencies(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", "0.9,0,0");
alg.setProperty("Ap", "0.8,0,0");
alg.setProperty("Rho", "0.7778,0,0");
alg.setProperty("Alpha", "0.75,0");
alg.setPropertyValue("OutputWorkspace", "IvsQ");
alg.setPropertyValue("OutputWorkspaceBinned", "IvsQ_binned");
alg.setPropertyValue("OutputWorkspaceWavelength", "IvsLam");
alg.execute();
auto outQGroup = retrieveOutWS("IvsQ");
auto outLamGroup = retrieveOutWS("IvsLam");
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], 0.9, 0.0001);
TS_ASSERT_DELTA(outLamGroup[1]->y(0)[0], 0.8, 0.0001);
TS_ASSERT_DELTA(outLamGroup[2]->y(0)[0], 0.7, 0.0001);
TS_ASSERT_DELTA(outLamGroup[3]->y(0)[0], 0.6, 0.0001);
TS_ASSERT_EQUALS(outQGroup[0]->blocksize(), 9);
TS_ASSERT_DELTA(outQGroup[0]->y(0)[0], 0.9, 0.0001);
TS_ASSERT_DELTA(outQGroup[1]->y(0)[0], 0.8, 0.0001);
TS_ASSERT_DELTA(outQGroup[2]->y(0)[0], 0.7, 0.0001);
TS_ASSERT_DELTA(outQGroup[3]->y(0)[0], 0.6, 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("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("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");
alg.execute();
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);
// 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], 0.8800698581, 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);
ADS.clear();
}
void test_polarization_correction_default() {
std::string const name = "input";
prepareInputGroup(name, "Fredrikze");
applyPolarizationEfficiencies(name);
ReflectometryReductionOneAuto2 alg;
alg.initialize();
alg.setPropertyValue("InputWorkspace", name);
alg.setProperty("ThetaIn", 10.0); 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");
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], 0.9, 0.0001);
TS_ASSERT_DELTA(outLamGroup[1]->y(0)[0], 0.8, 0.0001);
TS_ASSERT_DELTA(outLamGroup[2]->y(0)[0], 0.7, 0.0001);
TS_ASSERT_DELTA(outLamGroup[3]->y(0)[0], 0.6, 0.0001);
TS_ASSERT_EQUALS(outQGroup[0]->blocksize(), 9);
TS_ASSERT_DELTA(outQGroup[0]->y(0)[0], 0.9, 0.0001);
TS_ASSERT_DELTA(outQGroup[1]->y(0)[0], 0.8, 0.0001);
TS_ASSERT_DELTA(outQGroup[2]->y(0)[0], 0.7, 0.0001);
TS_ASSERT_DELTA(outQGroup[3]->y(0)[0], 0.6, 0.0001);
ADS.clear();
}
void test_one_transmissionrun() {
const double startX = 1000;
const int nBins = 3;
const double deltaX = 1000;
const std::vector<double> yValues1 = {1, 2, 3};
const std::vector<double> yValues2 = {4, 5, 6};
MatrixWorkspace_sptr input =
createWorkspaceSingle(startX, nBins, deltaX, yValues1);
ADS.addOrReplace("input", input);
MatrixWorkspace_sptr first =
createWorkspaceSingle(startX, nBins, deltaX, yValues1);
ADS.addOrReplace("first", first);
MatrixWorkspace_sptr second =
createWorkspaceSingle(startX, nBins, deltaX, yValues2);
ADS.addOrReplace("second", second);
GroupWorkspaces mkGroup;
mkGroup.initialize();
mkGroup.setProperty("InputWorkspaces", "input");
mkGroup.setProperty("OutputWorkspace", "inputWSGroup");
mkGroup.execute();
mkGroup.setProperty("InputWorkspaces", "first,second");
mkGroup.setProperty("OutputWorkspace", "transWSGroup");
mkGroup.execute();
ReflectometryReductionOneAuto2 alg;
alg.initialize();
alg.setChild(true);
alg.setPropertyValue("InputWorkspace", "inputWSGroup");
alg.setProperty("WavelengthMin", 0.0000000001);
alg.setProperty("WavelengthMax", 15.0);
alg.setProperty("ThetaIn", 10.0); alg.setProperty("ProcessingInstructions", "1");
alg.setProperty("MomentumTransferStep", 0.04);
alg.setPropertyValue("OutputWorkspace", "IvsQ");
alg.setPropertyValue("OutputWorkspaceBinned", "IvsQ_binned");
alg.setPropertyValue("OutputWorkspaceWavelength", "IvsLam");
alg.setPropertyValue("FirstTransmissionRun", "transWSGroup");
TS_ASSERT_THROWS_NOTHING(alg.execute());
auto outQGroup = retrieveOutWS("IvsQ");
auto outLamGroup = retrieveOutWS("IvsLam");
TS_ASSERT_DELTA(outQGroup[0]->x(0)[0], 2.8022, 0.0001);
TS_ASSERT_DELTA(outQGroup[0]->x(0)[3], 11.2088, 0.0001);
TS_ASSERT_DELTA(outQGroup[0]->y(0)[0], 1.3484, 0.0001);
TS_ASSERT_DELTA(outQGroup[0]->y(0)[2], 0.9207, 0.0001);
TS_ASSERT_DELTA(outLamGroup[0]->x(0)[0], 0.1946, 0.0001);
TS_ASSERT_DELTA(outLamGroup[0]->x(0)[3], 0.7787, 0.0001);
TS_ASSERT_DELTA(outLamGroup[0]->y(0)[0], 0.9207, 0.0001);
TS_ASSERT_DELTA(outLamGroup[0]->y(0)[2], 1.3484, 0.0001);
ADS.clear();
}
void test_polarization_with_transmissionrun() {
const double startX = 1000;
const int nBins = 3;
const double deltaX = 1000;
const std::vector<double> yValues1 = {1, 2, 3};
const std::vector<double> yValues2 = {4, 5, 6};
MatrixWorkspace_sptr input =
createWorkspaceSingle(startX, nBins, deltaX, yValues1);
ADS.addOrReplace("input", input);
MatrixWorkspace_sptr input2 =
createWorkspaceSingle(startX, nBins, deltaX, yValues1);
ADS.addOrReplace("input2", input2);
MatrixWorkspace_sptr first =
createWorkspaceSingle(startX, nBins, deltaX, yValues1);
ADS.addOrReplace("first", first);
MatrixWorkspace_sptr second =
createWorkspaceSingle(startX, nBins, deltaX, yValues2);
ADS.addOrReplace("second", second);
GroupWorkspaces mkGroup;
mkGroup.initialize();
mkGroup.setProperty("InputWorkspaces", "input,input2");
mkGroup.setProperty("OutputWorkspace", "inputWSGroup");
mkGroup.execute();
mkGroup.setProperty("InputWorkspaces", "first,second");
mkGroup.setProperty("OutputWorkspace", "transWSGroup");
mkGroup.execute();
ReflectometryReductionOneAuto2 alg;
alg.initialize();
alg.setChild(true);
alg.setPropertyValue("InputWorkspace", "inputWSGroup");
alg.setProperty("WavelengthMin", 0.0000000001);
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");
alg.setProperty("Rho", "1");
alg.setPropertyValue("OutputWorkspace", "IvsQ"); alg.setPropertyValue("OutputWorkspaceBinned", "IvsQ_binned");
alg.setPropertyValue("OutputWorkspaceWavelength", "IvsLam");
alg.setPropertyValue("FirstTransmissionRun", "transWSGroup");
TS_ASSERT_THROWS_NOTHING(alg.execute());
auto outQGroup = retrieveOutWS("IvsQ");
auto outLamGroup = retrieveOutWS("IvsLam");
TS_ASSERT_DELTA(outQGroup[0]->x(0)[0], 2.8022, 0.0001);
TS_ASSERT_DELTA(outQGroup[0]->x(0)[3], 11.2088, 0.0001);
TS_ASSERT_DELTA(outQGroup[0]->y(0)[0], 1.3484, 0.0001);
TS_ASSERT_DELTA(outQGroup[0]->y(0)[2], 0.9207, 0.0001);
TS_ASSERT_DELTA(outLamGroup[0]->x(0)[0], 0.1946, 0.0001);
TS_ASSERT_DELTA(outLamGroup[0]->x(0)[3], 0.7787, 0.0001);
TS_ASSERT_DELTA(outLamGroup[0]->y(0)[0], 0.9207, 0.0001);
TS_ASSERT_DELTA(outLamGroup[0]->y(0)[2], 1.3484, 0.0001);
ADS.clear();
}
void test_second_transmissionrun() {
const double startX = 1000;
const int nBins = 3;
const double deltaX = 1000;
const std::vector<double> yValues1 = {1, 2, 3};
const std::vector<double> yValues2 = {4, 5, 6};
MatrixWorkspace_sptr input =
createWorkspaceSingle(startX, nBins, deltaX, yValues1);
ADS.addOrReplace("input", input);
MatrixWorkspace_sptr first =
createWorkspaceSingle(startX, nBins, deltaX, yValues1);
ADS.addOrReplace("first", first);
MatrixWorkspace_sptr second =
createWorkspaceSingle(startX, nBins, deltaX, yValues2);
ADS.addOrReplace("second", second);
MatrixWorkspace_sptr first2 =
createWorkspaceSingle(startX, nBins, deltaX, yValues1);
ADS.addOrReplace("first2", first2);
MatrixWorkspace_sptr second2 =
createWorkspaceSingle(startX, nBins, deltaX, yValues2);
ADS.addOrReplace("second2", second2);
GroupWorkspaces mkGroup;
mkGroup.initialize();
mkGroup.setProperty("InputWorkspaces", "input");
mkGroup.setProperty("OutputWorkspace", "inputWSGroup");
mkGroup.execute();
mkGroup.setProperty("InputWorkspaces", "first,second");
mkGroup.setProperty("OutputWorkspace", "transWSGroup");
mkGroup.execute();
mkGroup.setProperty("InputWorkspaces", "first2,second2");
mkGroup.setProperty("OutputWorkspace", "transWSGroup2");
mkGroup.execute();
ReflectometryReductionOneAuto2 alg;
alg.initialize();
alg.setChild(true);
alg.setPropertyValue("InputWorkspace", "inputWSGroup");
alg.setProperty("WavelengthMin", 0.0000000001);
alg.setProperty("WavelengthMax", 15.0);
alg.setProperty("ThetaIn", 10.0);
alg.setProperty("ProcessingInstructions", "1");
alg.setProperty("MomentumTransferStep", 0.04); alg.setPropertyValue("OutputWorkspace", "IvsQ");
alg.setPropertyValue("OutputWorkspaceBinned", "IvsQ_binned");
alg.setPropertyValue("OutputWorkspaceWavelength", "IvsLam");
alg.setPropertyValue("FirstTransmissionRun", "transWSGroup");
alg.setPropertyValue("SecondTransmissionRun", "transWSGroup2");
TS_ASSERT_THROWS_NOTHING(alg.execute());
auto outQGroup = retrieveOutWS("IvsQ");
auto outLamGroup = retrieveOutWS("IvsLam");
TS_ASSERT_DELTA(outQGroup[0]->x(0)[0], 2.8022, 0.0001);
TS_ASSERT_DELTA(outQGroup[0]->x(0)[3], 11.2088, 0.0001);
TS_ASSERT_DELTA(outQGroup[0]->y(0)[0], 1.3484, 0.0001);
TS_ASSERT_DELTA(outQGroup[0]->y(0)[2], 0.9207, 0.0001);
TS_ASSERT_DELTA(outLamGroup[0]->x(0)[0], 0.1946, 0.0001);
TS_ASSERT_DELTA(outLamGroup[0]->x(0)[3], 0.7787, 0.0001);
TS_ASSERT_DELTA(outLamGroup[0]->y(0)[0], 0.9207, 0.0001);
TS_ASSERT_DELTA(outLamGroup[0]->y(0)[2], 1.3484, 0.0001);
ADS.clear();
}
void test_polarization_correction_default_Wildes() {
std::string const name = "input";
prepareInputGroup(name, "Wildes");
applyPolarizationEfficiencies(name);
ReflectometryReductionOneAuto2 alg;
alg.initialize();
alg.setPropertyValue("InputWorkspace", name);
alg.setProperty("ThetaIn", 10.0);
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");
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], 0.9368, 0.0001);
TS_ASSERT_DELTA(outLamGroup[1]->y(0)[0], 0.7813, 0.0001);
TS_ASSERT_DELTA(outLamGroup[2]->y(0)[0], 0.6797, 0.0001);
TS_ASSERT_DELTA(outLamGroup[3]->y(0)[0], 0.5242, 0.0001);
TS_ASSERT_EQUALS(outQGroup[0]->blocksize(), 9);
TS_ASSERT_DELTA(outQGroup[0]->y(0)[0], 0.9368, 0.0001);
TS_ASSERT_DELTA(outQGroup[1]->y(0)[0], 0.7813, 0.0001);
TS_ASSERT_DELTA(outQGroup[2]->y(0)[0], 0.6797, 0.0001);
TS_ASSERT_DELTA(outQGroup[3]->y(0)[0], 0.5242, 0.0001);
ADS.clear();
}
void test_monitor_index_in_group() {
std::string const name = "input";
prepareInputGroup(name);
ReflectometryReductionOneAuto2 alg;
alg.setRethrows(true);
alg.initialize();
alg.setPropertyValue("InputWorkspace", name);
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("WavelengthMin", 1.0);
alg.setProperty("WavelengthMax", 5.0);
alg.setProperty("MonitorBackgroundWavelengthMin", 1.0);
alg.setProperty("MonitorBackgroundWavelengthMax", 5.0);
alg.setPropertyValue("I0MonitorIndex", "1");
alg.setProperty("ProcessingInstructions", "1");
alg.setProperty("MomentumTransferStep", 0.04);
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");
}
void test_QStep_QMin_and_QMax() {
auto inter = loadRun("INTER00013460.nxs");
const double theta = 0.7;
ReflectometryReductionOneAuto2 alg;
alg.initialize();
momentumTransferHelper(alg, inter, theta);
alg.setProperty("MomentumTransferStep", 0.1);
alg.setProperty("MomentumTransferMin", 0.1);
alg.setProperty("MomentumTransferMax", 1.0);
alg.execute();
MatrixWorkspace_sptr outQBin = alg.getProperty("OutputWorkspaceBinned");
auto outX = outQBin->x(0);
auto outY = outQBin->y(0);
TS_ASSERT_DELTA(outX[0], 0.1, 0.0001);
TS_ASSERT_DELTA(outY[0], 0.0, 0.0001);
TS_ASSERT_DELTA(outX[24], 1.0, 0.0001);
TS_ASSERT_DELTA(outY[23], 0, 0.0001);
TS_ASSERT_EQUALS(outX.size(), 25);
TS_ASSERT_EQUALS(outY.size(), 24); }
void test_QMin_alone() {
auto inter = loadRun("INTER00013460.nxs");
const double theta = 0.7;
ReflectometryReductionOneAuto2 alg;
alg.initialize();
momentumTransferHelper(alg, inter, theta);
alg.setProperty("MomentumTransferMin", 0.1);
alg.execute();
MatrixWorkspace_sptr outQbinned = alg.getProperty("OutputWorkspaceBinned");
auto outX = outQbinned->x(0);
auto outY = outQbinned->y(0);
TS_ASSERT_DELTA(outX[0], 0.1, 0.0001);
TS_ASSERT_DELTA(outY[0], 0.0, 0.0001);
TS_ASSERT_DELTA(outX[1], 0.1018, 0.0001);
TS_ASSERT_EQUALS(outX.size(), 2);
TS_ASSERT_EQUALS(outY.size(), 1);
}
void test_QMax_alone() {
auto inter = loadRun("INTER00013460.nxs");
const double theta = 0.7;
ReflectometryReductionOneAuto2 alg;
alg.initialize();
momentumTransferHelper(alg, inter, theta);
alg.setProperty("MomentumTransferMax", 0.1);
alg.execute();
MatrixWorkspace_sptr outQBin = alg.getProperty("OutputWorkspaceBinned");
auto outX = outQBin->x(0);
auto outY = outQBin->y(0);
TS_ASSERT_DELTA(outX[0], 0.009, 0.0001);
TS_ASSERT_DELTA(outY[0], 0.0006, 0.0001);
TS_ASSERT_DELTA(outX[72], 0.1, 0.0001);
TS_ASSERT_DELTA(outY[71], 3.8e-06, 0.0001);
TS_ASSERT_EQUALS(outX.size(), 73);
TS_ASSERT_EQUALS(outY.size(), 72);
}
void test_QMax_and_QMin() {
auto inter = loadRun("INTER00013460.nxs");
const double theta = 0.7;
ReflectometryReductionOneAuto2 alg;
alg.initialize();
momentumTransferHelper(alg, inter, theta);
alg.setProperty("MomentumTransferMin", 0.1);
alg.setProperty("MomentumTransferMax", 1.0);
alg.execute();
MatrixWorkspace_sptr outQBin = alg.getProperty("OutputWorkspaceBinned");
auto outX = outQBin->x(0);
auto outY = outQBin->y(0);
TS_ASSERT_DELTA(outX[0], 0.1, 0.0001);
TS_ASSERT_DELTA(outY[0], 0.0, 0.0001);
TS_ASSERT_DELTA(outX[69], 1.0, 0.0001);
TS_ASSERT_DELTA(outY[68], 0.0, 0.0001);
TS_ASSERT_EQUALS(outX.size(), 70);
TS_ASSERT_EQUALS(outY.size(), 69);
}
void test_QStep_alone() {
auto inter = loadRun("INTER00013460.nxs");
const double theta = 0.7;
ReflectometryReductionOneAuto2 alg;
alg.initialize();
momentumTransferHelper(alg, inter, theta);
alg.setProperty("MomentumTransferStep", 0.1);
alg.execute();
MatrixWorkspace_sptr outQBin = alg.getProperty("OutputWorkspaceBinned");
auto outX = outQBin->x(0);
auto outY = outQBin->y(0);
TS_ASSERT_DELTA(outX[0], 0.009, 0.0001);
TS_ASSERT_DELTA(outY[0], 0.0021, 0.0001);
TS_ASSERT_DELTA(outX[26], 0.1018, 0.0001);
TS_ASSERT_DELTA(outY[25], 4.4e-06, 0.0001);
TS_ASSERT_EQUALS(outX.size(), 27);
TS_ASSERT_EQUALS(outY.size(), 26);
}
void test_QStep_QMin_alone() {
auto inter = loadRun("INTER00013460.nxs");
const double theta = 0.7;
ReflectometryReductionOneAuto2 alg;
alg.initialize();
momentumTransferHelper(alg, inter, theta);
alg.setProperty("MomentumTransferStep", 0.1);
alg.setProperty("MomentumTransferMin", 0.1);
alg.execute();
MatrixWorkspace_sptr outQBin = alg.getProperty("OutputWorkspaceBinned");
auto outX = outQBin->x(0);
auto outY = outQBin->y(0);
TS_ASSERT_DELTA(outX[0], 0.1, 0.0001);
TS_ASSERT_DELTA(outY[0], 0.0, 0.0001);
TS_ASSERT_DELTA(outX[1], 0.1018, 0.0001);
TS_ASSERT_EQUALS(outX.size(), 2);
TS_ASSERT_EQUALS(outY.size(), 1);
}
void test_QStep_QMax_alone() {
auto inter = loadRun("INTER00013460.nxs");
const double theta = 0.7;
ReflectometryReductionOneAuto2 alg;
alg.initialize();
momentumTransferHelper(alg, inter, theta);
alg.setProperty("MomentumTransferStep", 0.1);
alg.setProperty("MomentumTransferMax", 0.1);
alg.execute();
MatrixWorkspace_sptr outQBin = alg.getProperty("OutputWorkspaceBinned");
auto outX = outQBin->x(0);
auto outY = outQBin->y(0);
TS_ASSERT_DELTA(outX[0], 0.009, 0.0001);
TS_ASSERT_DELTA(outY[0], 0.0021, 0.0001);
TS_ASSERT_DELTA(outX[25], 0.1, 0.0001);
TS_ASSERT_DELTA(outY[24], 2.3e-05, 0.0001);
TS_ASSERT_EQUALS(outX.size(), 26);
TS_ASSERT_EQUALS(outY.size(), 25);
}
};
#endif /* MANTID_ALGORITHMS_REFLECTOMETRYREDUCTIONONEAUTO2TEST_H_ */