Refs #11747 MDhisto to MDevent for integration

Code/Mantid/Framework/MDAlgorithms/CMakeLists.txt

@@ -19,6 +19,7 @@ set ( SRC_FILES
 	src/ConvToMDHistoWS.cpp
 	src/ConvToMDSelector.cpp
 	src/ConvertCWPDMDToSpectra.cpp
+	src/ConvertMDHistoToMDEventWorkspace.cpp
 	src/ConvertMDHistoToMatrixWorkspace.cpp
 	src/ConvertSpiceDataToRealSpace.cpp
 	src/ConvertToDetectorFaceMD.cpp
@@ -136,6 +137,7 @@ set ( INC_FILES
 	inc/MantidMDAlgorithms/CompareMDWorkspaces.h
 	inc/MantidMDAlgorithms/ConvToMDBase.h
 	inc/MantidMDAlgorithms/ConvertCWPDMDToSpectra.h
+	inc/MantidMDAlgorithms/ConvertMDHistoToMDEventWorkspace.h
 	inc/MantidMDAlgorithms/ConvertMDHistoToMatrixWorkspace.h
 	inc/MantidMDAlgorithms/ConvertSpiceDataToRealSpace.h
 	inc/MantidMDAlgorithms/ConvertToDetectorFaceMD.h
@@ -253,6 +255,7 @@ set ( TEST_FILES
 	CompareMDWorkspacesTest.h
 	ConvertCWPDMDToSpectraTest.h
 	ConvertEventsToMDTest.h
+	ConvertMDHistoToMDEventWorkspaceTest.h
 	ConvertMDHistoToMatrixWorkspaceTest.h
 	ConvertSpiceDataToRealSpaceTest.h
 	ConvertToDetectorFaceMDTest.h

Code/Mantid/Framework/MDAlgorithms/inc/MantidMDAlgorithms/ConvertMDHistoToMDEventWorkspace.h

@@ -0,0 +1,71 @@
+#ifndef MANTID_MDALGORITHMS_ConvertMDHistoToMDEventWorkspace_H_
+#define MANTID_MDALGORITHMS_ConvertMDHistoToMDEventWorkspace_H_
+
+#include "MantidAPI/Algorithm.h"
+#include "MantidDataObjects/MDEventWorkspace.h"
+#include <deque>
+
+namespace Mantid {
+namespace MDAlgorithms {
+
+/** ConvertMDHistoToMDEventWorkspace : Loads a file containing dimensionality and data for
+  an MDEventWorkspace. Handles either full mdevents for mdleanevents as input
+  data types.
+
+  @date 2012-07-11
+
+  Copyright &copy; 2012 ISIS Rutherford Appleton Laboratory, NScD Oak Ridge
+  National Laboratory & European Spallation Source
+
+  This file is part of Mantid.
+
+  Mantid is free software; you can redistribute it and/or modify
+  it under the terms of the GNU General Public License as published by
+  the Free Software Foundation; either version 3 of the License, or
+  (at your option) any later version.
+
+  Mantid is distributed in the hope that it will be useful,
+  but WITHOUT ANY WARRANTY; without even the implied warranty of
+  MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE.  See the
+  GNU General Public License for more details.
+
+  You should have received a copy of the GNU General Public License
+  along with this program.  If not, see <http://www.gnu.org/licenses/>.
+
+  File change history is stored at: <https://github.com/mantidproject/mantid>
+  Code Documentation is available at: <http://doxygen.mantidproject.org>
+*/
+class DLLExport ConvertMDHistoToMDEventWorkspace : public API::Algorithm {
+public:
+  ConvertMDHistoToMDEventWorkspace();
+  virtual ~ConvertMDHistoToMDEventWorkspace();
+
+  virtual const std::string name() const;
+  /// Summary of algorithms purpose
+  virtual const std::string summary() const {
+    return "Reads an ASCII file containing MDEvent data and constructs an "
+           "MDEventWorkspace.";
+  }
+
+  virtual int version() const;
+  virtual const std::string category() const;
+
+private:
+
+  /// Actual number of dimensions specified
+  size_t m_nDimensions;
+  /// Actual number of md events provided.
+  size_t m_nDataObjects;
+  /// call back to add event data
+  template <typename MDE, size_t nd>
+  void addEventsData(typename DataObjects::MDEventWorkspace<MDE, nd>::sptr outWs);
+  DataObjects::MDHistoWorkspace_sptr ws;
+
+  void init();
+  void exec();
+};
+
+} // namespace MDAlgorithms
+} // namespace Mantid
+
+#endif /* MANTID_MDALGORITHMS_ConvertMDHistoToMDEventWorkspace_H_ */

Code/Mantid/Framework/MDAlgorithms/src/ConvertMDHistoToMDEventWorkspace.cpp

@@ -0,0 +1,134 @@
+#include "MantidMDAlgorithms/ConvertMDHistoToMDEventWorkspace.h"
+
+#include <iostream>
+#include <fstream>
+
+#include "MantidDataObjects/MDEventFactory.h"
+#include "MantidDataObjects/MDEventInserter.h"
+#include "MantidGeometry/MDGeometry/MDHistoDimension.h"
+
+#include <boost/algorithm/string.hpp>
+#include <boost/algorithm/string/split.hpp>
+
+
+
+namespace Mantid {
+namespace MDAlgorithms {
+
+using namespace API;
+using namespace DataObjects;
+using namespace Geometry;
+using namespace Kernel;
+// Register the algorithm into the AlgorithmFactory
+DECLARE_ALGORITHM(ConvertMDHistoToMDEventWorkspace)
+
+//----------------------------------------------------------------------------------------------
+/** Constructor
+ */
+ConvertMDHistoToMDEventWorkspace::ConvertMDHistoToMDEventWorkspace() {}
+
+//----------------------------------------------------------------------------------------------
+/** Destructor
+ */
+ConvertMDHistoToMDEventWorkspace::~ConvertMDHistoToMDEventWorkspace() {}
+
+//----------------------------------------------------------------------------------------------
+/// Algorithm's name for identification. @see Algorithm::name
+const std::string ConvertMDHistoToMDEventWorkspace::name() const {
+  return "ConvertMDHistoToMDEventWorkspace";
+}
+
+/// Algorithm's version for identification. @see Algorithm::version
+int ConvertMDHistoToMDEventWorkspace::version() const { return 1; }
+
+/// Algorithm's category for identification. @see Algorithm::category
+const std::string ConvertMDHistoToMDEventWorkspace::category() const {
+  return "MDAlgorithms";
+}
+
+//----------------------------------------------------------------------------------------------
+
+//----------------------------------------------------------------------------------------------
+/** Initialize the algorithm's properties.
+ */
+void ConvertMDHistoToMDEventWorkspace::init() {
+  declareProperty(new WorkspaceProperty<API::IMDHistoWorkspace>(
+                      "InputWorkspace", "", Direction::Input),
+                  "An input IMDHistoWorkspace.");
+  declareProperty(new WorkspaceProperty<IMDEventWorkspace>(
+                      "OutputWorkspace", "", Direction::Output),
+                  "An output workspace.");
+}
+
+/**
+Extracts mdevent information from the histo data and directs the creation of new
+DataObjects on the workspace.
+@param ws: Workspace to add the events to.
+*/
+template <typename MDE, size_t nd>
+void ConvertMDHistoToMDEventWorkspace::addEventsData(
+    typename MDEventWorkspace<MDE, nd>::sptr outWs) {
+  /// Creates a new instance of the MDEventInserter.
+  MDEventInserter<typename MDEventWorkspace<MDE, nd>::sptr> inserter(outWs);
+  std::vector<Mantid::coord_t> centers(nd);
+
+  for (size_t i = 0; i < m_nDataObjects; ++i) {
+    float signal = static_cast<float>(ws->getSignalAt(i));
+    float error = static_cast<float>(ws->getErrorAt(i));
+    uint16_t run_no = 0;
+    int32_t detector_no = 0;
+    VMD boxCenter = ws->getCenter(i);
+    for (size_t j = 0; j < m_nDimensions; ++j) {
+      centers[j] = static_cast<float>(boxCenter[j]);
+    }
+    // Actually add the mdevent.
+    inserter.insertMDEvent(signal, error * error, run_no, detector_no,
+                           centers.data());
+  }
+}
+
+//----------------------------------------------------------------------------------------------
+/** Execute the algorithm.
+ */
+void ConvertMDHistoToMDEventWorkspace::exec() {
+  IMDHistoWorkspace_sptr inWS = getProperty("InputWorkspace");
+
+  ws = boost::dynamic_pointer_cast<MDHistoWorkspace>(inWS);
+  if (!ws)
+    throw std::runtime_error("InputWorkspace is not a MDHistoWorkspace");
+
+  // Calculate the dimensionality
+  m_nDimensions =  ws->getNumDims();
+  // Calculate the actual number of columns in the MDEvent data.
+  uint64_t numPoints = ws->getNPoints();
+  m_nDataObjects = static_cast<size_t>(numPoints);
+
+  // Create a target output workspace.
+  IMDEventWorkspace_sptr outWs = MDEventFactory::CreateMDWorkspace(
+      m_nDimensions, "MDLeanEvent");
+  if (ws->getNumExperimentInfo() > 0) {
+    ExperimentInfo_sptr ei = ws->getExperimentInfo(0);
+    outWs->addExperimentInfo(ei);
+  }
+  outWs->setCoordinateSystem(ws->getSpecialCoordinateSystem());
+  // Extract Dimensions and add to the output workspace.
+  for (size_t i = 0; i < m_nDimensions; ++i) {
+    IMDDimension_const_sptr dim = ws->getDimension(i);
+    std::string id = dim->getDimensionId();
+    std::string name = dim->getName();
+    std::string units = dim->getUnits();
+    size_t nbins = dim->getNBins();
+
+    outWs->addDimension(MDHistoDimension_sptr(new MDHistoDimension(
+        id, name, units, dim->getMinimum(),
+        dim->getMaximum(), nbins)));
+  }
+
+  CALL_MDEVENT_FUNCTION(this->addEventsData, outWs)
+
+  // set output
+  this->setProperty("OutputWorkspace", outWs);
+}
+
+} // namespace Mantid
+} // namespace MDAlgorithms

Code/Mantid/Framework/MDAlgorithms/src/IntegratePeaksMD2.cpp

@@ -737,7 +737,7 @@ IntegratePeaksMD2::checkOverlap(int i,
     if (pos1.distance(pos2) < radius) {
       g_log.warning() << " Warning:  Peak integration spheres for peaks " << i
                       << " and " << j << " overlap.  Distance between peaks is "
-                      << pos1.distance(pos2) << std::endl;
+                      << pos1.distance(pos2) <<"  "<<p1.getHKL()<<"  "<<p2.getHKL()<< std::endl;
     }
   }
 }