Merge pull request #32533 from mantidproject/spec117_delete_all_ornl

It is OK to merge because its companion in master #32532 has been merged. 

Framework/Algorithms/CMakeLists.txt

@@ -161,7 +161,6 @@ set(SRC_FILES
     src/GeneratePythonFitScript.cpp
     src/GeneratePythonScript.cpp
     src/GetAllEi.cpp
-    src/GetDetOffsetsMultiPeaks.cpp
     src/GetDetectorOffsets.cpp
     src/GetEi.cpp
     src/GetEi2.cpp
@@ -504,7 +503,6 @@ set(INC_FILES
     inc/MantidAlgorithms/GeneratePythonFitScript.h
     inc/MantidAlgorithms/GeneratePythonScript.h
     inc/MantidAlgorithms/GetAllEi.h
-    inc/MantidAlgorithms/GetDetOffsetsMultiPeaks.h
     inc/MantidAlgorithms/GetDetectorOffsets.h
     inc/MantidAlgorithms/GetEi.h
     inc/MantidAlgorithms/GetEi2.h
@@ -861,7 +859,6 @@ set(TEST_FILES
     GeneratePythonFitScriptTest.h
     GeneratePythonScriptTest.h
     GetAllEiTest.h
-    GetDetOffsetsMultiPeaksTest.h
     GetDetectorOffsetsTest.h
     GetEiMonDet3Test.h
     GetEiTest.h

Framework/Algorithms/inc/MantidAlgorithms/DiffractionEventCalibrateDetectors.h

@@ -36,7 +36,7 @@ public:
 
   /// Algorithm's version for identification overriding a virtual method
   int version() const override { return 1; }
-  const std::vector<std::string> seeAlso() const override { return {"AlignComponents", "GetDetOffsetsMultiPeaks"}; }
+  const std::vector<std::string> seeAlso() const override { return {"AlignComponents"}; }
   /// Algorithm's category for identification overriding a virtual method
   const std::string category() const override {
     return "Diffraction\\Calibration;"

Framework/Algorithms/inc/MantidAlgorithms/GetDetOffsetsMultiPeaks.h

-// Mantid Repository : https://github.com/mantidproject/mantid
-//
-// Copyright © 2009 ISIS Rutherford Appleton Laboratory UKRI,
-//   NScD Oak Ridge National Laboratory, European Spallation Source,
-//   Institut Laue - Langevin & CSNS, Institute of High Energy Physics, CAS
-// SPDX - License - Identifier: GPL - 3.0 +
-#pragma once
-
-#include "MantidAPI/Algorithm.h"
-#include "MantidAPI/DeprecatedAlgorithm.h"
-#include "MantidAPI/MatrixWorkspace_fwd.h"
-#include "MantidAlgorithms/DllConfig.h"
-#include "MantidDataObjects/EventWorkspace.h"
-#include "MantidDataObjects/OffsetsWorkspace.h"
-#include "MantidDataObjects/TableWorkspace.h"
-
-namespace Mantid {
-namespace Algorithms {
-
-struct FitPeakOffsetResult {
-  double mask;
-  double offset;
-  double chi2;
-  /// fit sum from GSL optimizer as offset's error
-  double fitSum;
-  /// summation of chi-square
-  double chisqSum;
-  /// Number of peaks with successful fitting
-  double peakPosFittedSize;
-  int numpeakstofit;
-  int numpeaksfitted;
-  int numpeaksindrange;
-  std::string fitoffsetstatus;
-  /// Highest peak position
-  double highestpeakpos;
-  /// Highest peak deviation after calibrated by offset
-  double highestpeakdev;
-  /// Average resolution delta(d)/d
-  double resolution;
-  /// Standard devation of the resolution
-  double dev_resolution;
-};
-
-/**
- Find the offsets for each detector
-
- @author Vickie Lynch, SNS
- @date 12/12/2011
- */
-class MANTID_ALGORITHMS_DLL GetDetOffsetsMultiPeaks : public API::Algorithm, public API::DeprecatedAlgorithm {
-public:
-  /// Default constructorMatrix
-  GetDetOffsetsMultiPeaks();
-  /// Algorithm's name for identification overriding a virtual method
-  const std::string name() const override { return "GetDetOffsetsMultiPeaks"; }
-  /// Algorithm's version for identification overriding a virtual method
-  int version() const override { return 1; }
-  const std::vector<std::string> seeAlso() const override { return {"GetDetectorOffsets"}; }
-  /// Algorithm's category for identification overriding a virtual method
-  const std::string category() const override { return "Diffraction\\Calibration"; }
-  /// Summary of algorithms purpose
-  const std::string summary() const override {
-    return "Creates an OffsetsWorkspace containing offsets for each detector. "
-           "You can then save these to a .cal file using SaveCalFile.";
-  }
-
-private:
-  // Overridden Algorithm methods
-  void init() override;
-  void exec() override;
-
-  void processProperties();
-
-  /// Create workspaces for fitting information
-  void createInformationWorkspaces();
-
-  /// Main function to calculate all detectors' offsets
-  void calculateDetectorsOffsets();
-
-  void importFitWindowTableWorkspace(const DataObjects::TableWorkspace_sptr &windowtablews);
-
-  /// Call Gaussian as a Child Algorithm to fit the peak in a spectrum
-  int fitSpectra(const int64_t wi, const API::MatrixWorkspace_sptr &inputW, const std::vector<double> &peakPositions,
-                 const std::vector<double> &fitWindows, size_t &nparams, double &minD, double &maxD,
-                 std::vector<double> &peakPosToFit, std::vector<double> &peakPosFitted, std::vector<double> &chisq,
-                 std::vector<double> &peakHeights, int &i_highestpeak, double &resolution, double &dev_resolution);
-
-  /// Add peak fitting and offset calculation information to information table
-  /// workspaces per spectrum
-  void addInfoToReportWS(int wi, const FitPeakOffsetResult &offsetresult, const std::vector<double> &tofitpeakpositions,
-                         const std::vector<double> &fittedpeakpositions);
-
-  /// Generate a list of peaks to calculate detectors' offset
-  void generatePeaksList(const API::ITableWorkspace_sptr &peakslist, int wi, const std::vector<double> &peakPositionRef,
-                         std::vector<double> &peakPosToFit, std::vector<double> &peakPosFitted,
-                         std::vector<double> &peakHeightFitted, std::vector<double> &chisq, bool useFitWindows,
-                         const std::vector<double> &fitWindowsToUse, const double minD, const double maxD,
-                         double &deltaDovD, double &dev_deltaDovD);
-
-  FitPeakOffsetResult calculatePeakOffset(const int wi, std::vector<double> &vec_peakPosFitted,
-                                          std::vector<double> &vec_peakPosRef);
-
-  /// Calculate a spectrum's offset by optimizing offset
-  void fitPeaksOffset(const size_t inpnparams, const double minD, const double maxD,
-                      const std::vector<double> &vec_peakPosRef, const std::vector<double> &vec_peakPosFitted,
-                      const std::vector<double> &vec_peakHeights, FitPeakOffsetResult &fitresult);
-
-  /// Make a summary on all fit
-  void makeFitSummary();
-
-  /// Remove rows without offset calculated from offset table workspace
-  void removeEmptyRowsFromPeakOffsetTable();
-
-  /// Input workspace
-  API::MatrixWorkspace_sptr m_inputWS;
-  /// Input EventWorkspace (from m_inputWS)
-  DataObjects::EventWorkspace_const_sptr m_eventW;
-  bool m_isEvent;
-
-  /// Background type
-  std::string m_backType;
-  /// Peak profile type
-  std::string m_peakType;
-  /// Criterias for fitting peak
-  std::string m_minimizer;
-  double m_maxChiSq;
-  double m_minPeakHeight;
-  double m_leastMaxObsY;
-  double m_maxOffset;
-
-  std::vector<double> m_peakPositions;
-  std::vector<double> m_fitWindows;
-
-  /// Input resolution
-  API::MatrixWorkspace_const_sptr m_inputResolutionWS;
-  /// Flag of use input resolution
-  bool m_hasInputResolution;
-  /// Lower boundary of allowed peak width as resolution
-  double m_minResFactor;
-  /// Upper boundary of allowed peak width as resolution
-  double m_maxResFactor;
-
-  DataObjects::OffsetsWorkspace_sptr m_outputW;
-  /// Output workspace for debugging purpose
-  DataObjects::OffsetsWorkspace_sptr m_outputNP;
-  /// Output Mask workspace
-  API::MatrixWorkspace_sptr m_maskWS;
-
-  DataObjects::TableWorkspace_sptr m_infoTableWS;
-  DataObjects::TableWorkspace_sptr m_peakOffsetTableWS;
-  /// Workspace for calculated detector resolution
-  API::MatrixWorkspace_sptr m_resolutionWS;
-
-  /// Flag to use fit window from TableWorkspace per spectrum
-  bool m_useFitWindowTable;
-  /// Vector of fit windows (also in vector)
-  std::vector<std::vector<double>> m_vecFitWindow;
-};
-
-} // namespace Algorithms
-} // namespace Mantid

Framework/Algorithms/inc/MantidAlgorithms/GetDetectorOffsets.h

@@ -34,9 +34,7 @@ public:
 
   /// Algorithm's version for identification overriding a virtual method
   int version() const override { return 1; }
-  const std::vector<std::string> seeAlso() const override {
-    return {"GetDetOffsetsMultiPeaks", "CalibrateRectangularDetectors", "AlignComponents"};
-  }
+  const std::vector<std::string> seeAlso() const override { return {"AlignComponents"}; }
   /// Algorithm's category for identification overriding a virtual method
   const std::string category() const override { return "Diffraction\\Calibration"; }
 

Framework/Algorithms/inc/MantidAlgorithms/PDCalibration.h

@@ -26,7 +26,7 @@ public:
 
   const std::string name() const override;
   int version() const override;
-  const std::vector<std::string> seeAlso() const override { return {"CalibrateRectangularDetectors"}; }
+  const std::vector<std::string> seeAlso() const override { return {}; }
   const std::string category() const override;
   const std::string summary() const override;
 

Framework/Algorithms/test/GetDetOffsetsMultiPeaksTest.h

-// 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 & CSNS, Institute of High Energy Physics, CAS
-// SPDX - License - Identifier: GPL - 3.0 +
-#pragma once
-
-#include "MantidAPI/AlgorithmManager.h"
-#include "MantidAPI/AnalysisDataService.h"
-#include "MantidAPI/Axis.h"
-#include "MantidAPI/FrameworkManager.h"
-#include "MantidAPI/TableRow.h"
-#include "MantidAlgorithms/GetDetOffsetsMultiPeaks.h"
-#include "MantidDataObjects/OffsetsWorkspace.h"
-#include "MantidDataObjects/TableWorkspace.h"
-#include "MantidGeometry/Instrument/DetectorInfo.h"
-#include "MantidKernel/UnitFactory.h"
-#include "MantidTestHelpers/WorkspaceCreationHelper.h"
-
-using namespace Mantid::API;
-using namespace Mantid::DataObjects;
-using Mantid::Algorithms::GetDetOffsetsMultiPeaks;
-using Mantid::DataObjects::OffsetsWorkspace_sptr;
-
-class GetDetOffsetsMultiPeaksTest : public CxxTest::TestSuite {
-public:
-  // This pair of boilerplate methods prevent the suite being created statically
-  // This means the constructor isn't called when running other tests
-  static GetDetOffsetsMultiPeaksTest *createSuite() { return new GetDetOffsetsMultiPeaksTest(); }
-  static void destroySuite(GetDetOffsetsMultiPeaksTest *suite) { delete suite; }
-
-  GetDetOffsetsMultiPeaksTest() { Mantid::API::FrameworkManager::Instance(); }
-
-  void testTheBasics() {
-    TS_ASSERT_EQUALS(offsets.name(), "GetDetOffsetsMultiPeaks");
-    TS_ASSERT_EQUALS(offsets.version(), 1);
-  }
-
-  void testInit() {
-    TS_ASSERT_THROWS_NOTHING(offsets.initialize());
-    TS_ASSERT(offsets.isInitialized());
-  }
-
-  void testExec() {
-    // ---- Create the simple workspace -------
-    MatrixWorkspace_sptr WS = WorkspaceCreationHelper::create2DWorkspaceWithFullInstrument(1, 200);
-    AnalysisDataService::Instance().addOrReplace("temp_event_ws", WS);
-    WS->getAxis(0)->unit() = Mantid::Kernel::UnitFactory::Instance().create("dSpacing");
-
-    auto xvals = WS->points(0);
-    std::transform(xvals.cbegin(), xvals.cend(), WS->mutableY(0).begin(),
-                   [](const double x) { return 5.1 * exp(-0.5 * pow((x - 10) / 1.0, 2)); });
-
-    auto &E = WS->mutableE(0);
-    E.assign(E.size(), 0.001);
-
-    // ---- Run algo -----
-    if (!offsets.isInitialized())
-      offsets.initialize();
-    TS_ASSERT_THROWS_NOTHING(offsets.setProperty("InputWorkspace", "temp_event_ws"));
-    std::string outputWS("offsetsped");
-    std::string maskWS("masksped");
-    TS_ASSERT_THROWS_NOTHING(offsets.setPropertyValue("OutputWorkspace", outputWS));
-    TS_ASSERT_THROWS_NOTHING(offsets.setPropertyValue("MaskWorkspace", maskWS));
-    TS_ASSERT_THROWS_NOTHING(offsets.setPropertyValue("DReference", "9.98040"));
-    TS_ASSERT_THROWS_NOTHING(offsets.setPropertyValue("SpectraFitInfoTableWorkspace", "FitInfoTable"));
-    TS_ASSERT_THROWS_NOTHING(offsets.execute());
-    TS_ASSERT(offsets.isExecuted());
-
-    MatrixWorkspace_const_sptr output;
-    TS_ASSERT_THROWS_NOTHING(output = AnalysisDataService::Instance().retrieveWS<MatrixWorkspace>(outputWS));
-    if (!output)
-      return;
-
-    TS_ASSERT_DELTA(output->y(0)[0], -0.002, 0.0002);
-
-    AnalysisDataService::Instance().remove(outputWS);
-
-    MatrixWorkspace_const_sptr mask;
-    TS_ASSERT_THROWS_NOTHING(mask = AnalysisDataService::Instance().retrieveWS<MatrixWorkspace>(maskWS));
-    if (!mask)
-      return;
-    TS_ASSERT(!mask->detectorInfo().isMasked(0));
-  }
-
-  //----------------------------------------------------------------------------------------------
-  /** Test the feature to ... ...
-   */
-  void testExecWithGroup() {
-    // --------- Workspace with summed spectra -------
-    MatrixWorkspace_sptr WS = WorkspaceCreationHelper::createGroupedWorkspace2D(3, 200, 1.0);
-    WS->getAxis(0)->unit() = Mantid::Kernel::UnitFactory::Instance().create("dSpacing");
-
-    auto xvals = WS->points(0);
-    std::transform(xvals.cbegin(), xvals.cend(), WS->mutableY(0).begin(),
-                   [](const double x) { return exp(-0.5 * pow((x - 10) / 1.0, 2)); });
-
-    auto &E = WS->mutableE(0);
-    E.assign(E.size(), 0.001);
-
-    AnalysisDataService::Instance().addOrReplace("temp_event_ws3", WS);
-
-    // ---- Run algo -----
-    GetDetOffsetsMultiPeaks offsets;
-    offsets.initialize();
-    TS_ASSERT_THROWS_NOTHING(offsets.setProperty("InputWorkspace", "temp_event_ws3"));
-    std::string outputWS("offsetsped");
-    std::string maskWS("masksped");
-    TS_ASSERT_THROWS_NOTHING(offsets.setPropertyValue("OutputWorkspace", outputWS));
-    TS_ASSERT_THROWS_NOTHING(offsets.setPropertyValue("MaskWorkspace", maskWS));
-    TS_ASSERT_THROWS_NOTHING(offsets.setPropertyValue("DReference", "9.98040"));
-    TS_ASSERT_THROWS_NOTHING(offsets.setPropertyValue("SpectraFitInfoTableWorkspace", "FitInfoTable"));
-    TS_ASSERT_THROWS_NOTHING(offsets.execute());
-    TS_ASSERT(offsets.isExecuted());
-
-    OffsetsWorkspace_sptr output = offsets.getProperty("OutputWorkspace");
-    if (!output)
-      return;
-
-    TS_ASSERT_DELTA(output->getValue(1), -0.00196, 0.0002);
-    TS_ASSERT_EQUALS(output->getValue(1), output->getValue(2));
-    TS_ASSERT_EQUALS(output->getValue(1), output->getValue(3));
-
-    AnalysisDataService::Instance().remove(outputWS);
-
-    MatrixWorkspace_const_sptr mask;
-    TS_ASSERT_THROWS_NOTHING(mask = AnalysisDataService::Instance().retrieveWS<MatrixWorkspace>(maskWS));
-    if (!mask)
-      return;
-    TS_ASSERT(!mask->detectorInfo().isMasked(0));
-  }
-
-  //----------------------------------------------------------------------------------------------
-  /** Test the feature to import fit windows for each spectrum from table
-   * workspace
-   */
-  void testExecFitWindowTable() {
-    // ---- (Re-)Create the simple workspace -------
-    MatrixWorkspace_sptr WS = WorkspaceCreationHelper::create2DWorkspaceWithFullInstrument(1, 200);
-    AnalysisDataService::Instance().addOrReplace("temp_event_ws", WS);
-    WS->getAxis(0)->unit() = Mantid::Kernel::UnitFactory::Instance().create("dSpacing");
-
-    auto xvals = WS->points(0);
-    std::transform(xvals.cbegin(), xvals.cend(), WS->mutableY(0).begin(),
-                   [](const double x) { return 5.1 * exp(-0.5 * pow((x - 10) / 1.0, 2)); });
-
-    auto &E = WS->mutableE(0);
-    E.assign(E.size(), 0.001);
-
-    // Create table workspace
-    TableWorkspace_sptr fitWindowWS = std::make_shared<TableWorkspace>();
-    fitWindowWS->addColumn("int", "spectrum");
-    fitWindowWS->addColumn("double", "peak0_left");
-    fitWindowWS->addColumn("double", "peak0_right");
-
-    TableRow newrow = fitWindowWS->appendRow();
-    newrow << 0 << 9.9 << 11.0;
-
-    AnalysisDataService::Instance().addOrReplace("PeakFitRangeTableWS", fitWindowWS);
-
-    // ---- Run algo -----
-    offsets.initialize();
-    TS_ASSERT_THROWS_NOTHING(offsets.setProperty("InputWorkspace", "temp_event_ws"));
-    TS_ASSERT_THROWS_NOTHING(offsets.setProperty("FitwindowTableWorkspace", fitWindowWS));
-    std::string outputWS("offsetsped");
-    std::string maskWS("masksped");
-    TS_ASSERT_THROWS_NOTHING(offsets.setPropertyValue("OutputWorkspace", outputWS));
-    TS_ASSERT_THROWS_NOTHING(offsets.setPropertyValue("MaskWorkspace", maskWS));
-    TS_ASSERT_THROWS_NOTHING(offsets.setPropertyValue("MaxOffset", "3.0"));
-    TS_ASSERT_THROWS_NOTHING(offsets.setPropertyValue("DReference", "30.98040"));
-    TS_ASSERT_THROWS_NOTHING(offsets.setPropertyValue("SpectraFitInfoTableWorkspace", "FitInfoTable"));
-    TS_ASSERT_THROWS_NOTHING(offsets.execute());
-    TS_ASSERT(offsets.isExecuted());
-
-    MatrixWorkspace_const_sptr output;
-    TS_ASSERT_THROWS_NOTHING(output = AnalysisDataService::Instance().retrieveWS<MatrixWorkspace>(outputWS));
-    if (!output)
-      return;
-
-    AnalysisDataService::Instance().remove(outputWS);
-    AnalysisDataService::Instance().remove("PeakFitRangeTableWS");
-
-    MatrixWorkspace_const_sptr mask;
-    TS_ASSERT_THROWS_NOTHING(mask = AnalysisDataService::Instance().retrieveWS<MatrixWorkspace>(maskWS));
-    if (!mask)
-      return;
-    TS_ASSERT(!mask->detectorInfo().isMasked(0));
-  }
-
-  //----------------------------------------------------------------------------------------------
-  /** Test the feature to import fit windows with univeral spectrum from table
-   * workspace
-   */
-  void testExecFitWindowTableUniversal() {
-    // ---- (Re-)Create the simple workspace -------
-    MatrixWorkspace_sptr WS = WorkspaceCreationHelper::create2DWorkspaceWithFullInstrument(1, 200);
-    AnalysisDataService::Instance().addOrReplace("temp_event_ws", WS);
-    WS->getAxis(0)->unit() = Mantid::Kernel::UnitFactory::Instance().create("dSpacing");
-
-    auto xvals = WS->points(0);
-    std::transform(xvals.cbegin(), xvals.cend(), WS->mutableY(0).begin(),
-                   [](const double x) { return 5.1 * exp(-0.5 * pow((x - 10) / 1.0, 2)); });
-
-    auto &E = WS->mutableE(0);
-    E.assign(E.size(), 0.001);
-
-    // Create table workspace
-    TableWorkspace_sptr fitWindowWS = std::make_shared<TableWorkspace>();
-    fitWindowWS->addColumn("int", "spectrum");
-    fitWindowWS->addColumn("double", "peak0_left");
-    fitWindowWS->addColumn("double", "peak0_right");
-
-    TableRow newrow = fitWindowWS->appendRow();
-    newrow << -1 << 9.9 << 11.0;
-
-    AnalysisDataService::Instance().addOrReplace("PeakFitRangeTableWS", fitWindowWS);
-
-    // ---- Run algo -----
-    offsets.initialize();
-    TS_ASSERT_THROWS_NOTHING(offsets.setProperty("InputWorkspace", "temp_event_ws"));
-    TS_ASSERT_THROWS_NOTHING(offsets.setProperty("FitwindowTableWorkspace", fitWindowWS));
-    std::string outputWS("offsetsped");
-    std::string maskWS("masksped");
-    TS_ASSERT_THROWS_NOTHING(offsets.setPropertyValue("OutputWorkspace", outputWS));
-    TS_ASSERT_THROWS_NOTHING(offsets.setPropertyValue("MaskWorkspace", maskWS));
-    TS_ASSERT_THROWS_NOTHING(offsets.setPropertyValue("MaxOffset", "3.0"));
-    TS_ASSERT_THROWS_NOTHING(offsets.setPropertyValue("DReference", "30.98040"));
-    TS_ASSERT_THROWS_NOTHING(offsets.setPropertyValue("SpectraFitInfoTableWorkspace", "FitInfoTable"));
-    TS_ASSERT_THROWS_NOTHING(offsets.execute());
-    TS_ASSERT(offsets.isExecuted());
-
-    MatrixWorkspace_const_sptr output;
-    TS_ASSERT_THROWS_NOTHING(output = AnalysisDataService::Instance().retrieveWS<MatrixWorkspace>(outputWS));
-    if (!output)
-      return;
-
-    AnalysisDataService::Instance().remove(outputWS);
-    AnalysisDataService::Instance().remove("PeakFitRangeTableWS");
-
-    MatrixWorkspace_const_sptr mask;
-    TS_ASSERT_THROWS_NOTHING(mask = AnalysisDataService::Instance().retrieveWS<MatrixWorkspace>(maskWS));
-    if (!mask)
-      return;
-    TS_ASSERT(!mask->detectorInfo().isMasked(0));
-  }
-
-  //----------------------------------------------------------------------------------------------
-  /** Test using the resolution workspace as input
-   */
-  void testExecInputResolutionWS() {
-    // ---- Create the simple workspace -------
-    // Data workspace
-    MatrixWorkspace_sptr WS = WorkspaceCreationHelper::create2DWorkspaceWithFullInstrument(1, 200);
-    AnalysisDataService::Instance().addOrReplace("temp_event_ws", WS);
-    WS->getAxis(0)->unit() = Mantid::Kernel::UnitFactory::Instance().create("dSpacing");
-
-    auto xvals = WS->points(0);
-    std::transform(xvals.cbegin(), xvals.cend(), WS->mutableY(0).begin(),
-                   [](const double x) { return 5.1 * exp(-0.5 * pow((x - 10) / 1.0, 2)); });
-
-    auto &E = WS->mutableE(0);
-    E.assign(E.size(), 0.001);
-
-    // Resolution workspace
-    MatrixWorkspace_sptr resWS = WorkspaceFactory::Instance().create("Workspace2D", 1, 1, 1);
-    resWS->mutableY(0)[0] = 0.2;
-    AnalysisDataService::Instance().addOrReplace("temp_res_ws", resWS);
-
-    // ---- Run algo -----
-    GetDetOffsetsMultiPeaks offsets;
-    offsets.initialize();
-    TS_ASSERT_THROWS_NOTHING(offsets.setProperty("InputWorkspace", "temp_event_ws"));
-    TS_ASSERT_THROWS_NOTHING(offsets.setProperty("InputResolutionWorkspace", "temp_res_ws"));
-    TS_ASSERT_THROWS_NOTHING(offsets.setProperty("MinimumResolutionFactor", 0.8));
-    TS_ASSERT_THROWS_NOTHING(offsets.setProperty("MaximumResolutionFactor", 1.2));
-
-    std::string outputWS("offsetsped");
-    std::string maskWS("masksped");
-    TS_ASSERT_THROWS_NOTHING(offsets.setPropertyValue("OutputWorkspace", outputWS));
-    TS_ASSERT_THROWS_NOTHING(offsets.setPropertyValue("MaskWorkspace", maskWS));
-    TS_ASSERT_THROWS_NOTHING(offsets.setPropertyValue("DReference", "9.98040"));
-    TS_ASSERT_THROWS_NOTHING(offsets.setPropertyValue("SpectraFitInfoTableWorkspace", "FitInfoTable"));
-    TS_ASSERT_THROWS_NOTHING(offsets.execute());
-    TS_ASSERT(offsets.isExecuted());
-
-    MatrixWorkspace_const_sptr output;
-    TS_ASSERT_THROWS_NOTHING(output = AnalysisDataService::Instance().retrieveWS<MatrixWorkspace>(outputWS));
-    if (!output)
-      return;
-
-    TS_ASSERT_DELTA(output->y(0)[0], -0.002, 0.0002);
-
-    AnalysisDataService::Instance().remove(outputWS);
-
-    MatrixWorkspace_const_sptr mask;
-    TS_ASSERT_THROWS_NOTHING(mask = AnalysisDataService::Instance().retrieveWS<MatrixWorkspace>(maskWS));
-    if (!mask)
-      return;
-    TS_ASSERT(!mask->detectorInfo().isMasked(0));
-  }
-
-  //----------------------------------------------------------------------------------------------
-  /** Test using the resolution workspace as input with a failure case
-   *  in which the data is noisy and not valid peak can be found
-   */
-  void testFailInputResolutionWS() {
-    // ---- Create the simple workspace -------
-    // Data workspace
-    MatrixWorkspace_sptr WS = WorkspaceCreationHelper::create2DWorkspaceWithFullInstrument(1, 200);
-    AnalysisDataService::Instance().addOrReplace("temp_event_ws", WS);
-    WS->getAxis(0)->unit() = Mantid::Kernel::UnitFactory::Instance().create("dSpacing");
-    generateNoisyData(WS);
-
-    // Resolution workspace
-    MatrixWorkspace_sptr resWS = WorkspaceFactory::Instance().create("Workspace2D", 1, 1, 1);
-    resWS->mutableY(0)[0] = 0.2;
-    AnalysisDataService::Instance().addOrReplace("temp_res_ws", resWS);
-
-    // ---- Run algo -----
-    GetDetOffsetsMultiPeaks offsets;
-    offsets.initialize();
-    TS_ASSERT_THROWS_NOTHING(offsets.setProperty("InputWorkspace", "temp_event_ws"));
-    TS_ASSERT_THROWS_NOTHING(offsets.setProperty("InputResolutionWorkspace", "temp_res_ws"));
-    TS_ASSERT_THROWS_NOTHING(offsets.setProperty("MinimumResolutionFactor", 0.8));
-    TS_ASSERT_THROWS_NOTHING(offsets.setProperty("MaximumResolutionFactor", 1.2));
-
-    std::string outputWS("offsetsped");
-    std::string maskWS("masksped");
-    TS_ASSERT_THROWS_NOTHING(offsets.setPropertyValue("OutputWorkspace", outputWS));
-    TS_ASSERT_THROWS_NOTHING(offsets.setPropertyValue("MaskWorkspace", maskWS));
-    TS_ASSERT_THROWS_NOTHING(offsets.setPropertyValue("DReference", "9.98040"));
-    TS_ASSERT_THROWS_NOTHING(offsets.setPropertyValue("SpectraFitInfoTableWorkspace", "FitInfoTable"));
-    TS_ASSERT_THROWS_NOTHING(offsets.execute());
-    TS_ASSERT(offsets.isExecuted());
-
-    MatrixWorkspace_const_sptr output;
-    TS_ASSERT_THROWS_NOTHING(output = AnalysisDataService::Instance().retrieveWS<MatrixWorkspace>(outputWS));
-    if (!output)
-      return;
-
-    TS_ASSERT_DELTA(output->y(0)[0], 0.0, 1.0E-20);
-
-    AnalysisDataService::Instance().remove(outputWS);
-
-    MatrixWorkspace_const_sptr mask;
-    TS_ASSERT_THROWS_NOTHING(mask = AnalysisDataService::Instance().retrieveWS<MatrixWorkspace>(maskWS));
-    TS_ASSERT(mask->detectorInfo().isMasked(0));
-
-    return;
-  }
-
-  //----------------------------------------------------------------------------------------------
-  /** Generate noisy data in a workspace
-   */
-  void generateNoisyData(const MatrixWorkspace_sptr &WS) {
-
-    auto &Y = WS->mutableY(0);