Merge pull request #28304 from mantidproject/28303_ill_tof_channel

28303 ill tof channel

Framework/DataHandling/inc/MantidDataHandling/LoadILLTOF2.h

@@ -59,7 +59,8 @@ private:
 
   void loadTimeDetails(NeXus::NXEntry &entry);
   void loadDataIntoTheWorkSpace(NeXus::NXEntry &entry,
-                                const std::vector<std::vector<int>> &);
+                                const std::vector<std::vector<int>> &,
+                                bool convertToTOF);
   void loadSpectra(size_t &spec, const size_t numberOfTubes,
                    const std::vector<Mantid::detid_t> &detectorIDs,
                    const NeXus::NXInt &data, Mantid::API::Progress &progress);

Framework/DataHandling/src/LoadILLTOF2.cpp

@@ -72,6 +72,8 @@ void LoadILLTOF2::init() {
   declareProperty(std::make_unique<WorkspaceProperty<>>("OutputWorkspace", "",
                                                         Direction::Output),
                   "The name to use for the output workspace");
+  declareProperty("ConvertToTOF", false,
+                  "Convert the bin edges to time-of-flight", Direction::Input);
 }
 
 /**
@@ -80,6 +82,7 @@ void LoadILLTOF2::init() {
 void LoadILLTOF2::exec() {
   // Retrieve filename
   const std::string filenameData = getPropertyValue("Filename");
+  bool convertToTOF = getProperty("convertToTOF");
 
   // open the root node
   NeXus::NXRoot dataRoot(filenameData);
@@ -97,7 +100,7 @@ void LoadILLTOF2::exec() {
 
   runLoadInstrument(); // just to get IDF contents
 
-  loadDataIntoTheWorkSpace(dataFirstEntry, monitors);
+  loadDataIntoTheWorkSpace(dataFirstEntry, monitors, convertToTOF);
 
   addEnergyToRun();
   addPulseInterval();
@@ -353,9 +356,12 @@ void LoadILLTOF2::addPulseInterval() {
  *
  * @param entry The Nexus entry
  * @param monitors List of monitor data
+ * @param convertToTOF Should the bin edges be converted to time of flight or
+ * keep the channel indexes
  */
 void LoadILLTOF2::loadDataIntoTheWorkSpace(
-    NeXus::NXEntry &entry, const std::vector<std::vector<int>> &monitors) {
+    NeXus::NXEntry &entry, const std::vector<std::vector<int>> &monitors,
+    bool convertToTOF) {
 
   g_log.debug() << "Loading data into the workspace...\n";
   // read in the data
@@ -369,9 +375,15 @@ void LoadILLTOF2::loadDataIntoTheWorkSpace(
   // Put tof in an array
   auto &X0 = m_localWorkspace->mutableX(0);
   if (monitor.containsDataSet("time_of_flight")) {
-    for (size_t i = 0; i < m_numberOfChannels + 1; ++i) {
-      X0[i] = m_timeOfFlightDelay + m_channelWidth * static_cast<double>(i) -
-              m_channelWidth / 2; // to make sure the bin centre is correct
+    if (convertToTOF) {
+      for (size_t i = 0; i < m_numberOfChannels + 1; ++i) {
+        X0[i] = m_timeOfFlightDelay + m_channelWidth * static_cast<double>(i) -
+                m_channelWidth / 2; // to make sure the bin centre is correct
+      }
+    } else {
+      for (size_t i = 0; i < m_numberOfChannels + 1; ++i) {
+        X0[i] = static_cast<double>(i); // just take the channel index
+      }
     }
   } else {
     // Diffraction PANTHER

Framework/DataHandling/test/LoadILLTOF2Test.h

@@ -48,11 +48,13 @@ public:
   MatrixWorkspace_sptr
   loadDataFile(const std::string &dataFile, const size_t numberOfHistograms,
                const size_t numberOfMonitors, const size_t numberOfChannels,
-               const double tofDelay, const double tofChannelWidth) {
+               const double tofDelay, const double tofChannelWidth,
+               const bool convertToTOF) {
     LoadILLTOF2 loader;
     loader.setRethrows(true);
     TS_ASSERT_THROWS_NOTHING(loader.initialize())
     TS_ASSERT_THROWS_NOTHING(loader.setPropertyValue("Filename", dataFile))
+    TS_ASSERT_THROWS_NOTHING(loader.setProperty("convertToTOF", convertToTOF))
 
     std::string outputSpace = "LoadILLTOFTest_out";
     TS_ASSERT_THROWS_NOTHING(
@@ -79,11 +81,19 @@ public:
                        Mantid::HistogramData::Histogram::YMode::Counts)
       TS_ASSERT_EQUALS(histogram.size(), numberOfChannels)
       const auto &xs = histogram.x();
-      for (size_t channelIndex = 0; channelIndex != xs.size(); ++channelIndex) {
-        const double binEdge =
-            tofDelay + static_cast<double>(channelIndex) * tofChannelWidth -
-            tofChannelWidth / 2;
-        TS_ASSERT_DELTA(xs[channelIndex], binEdge, 1e-3)
+      if (convertToTOF) {
+        for (size_t channelIndex = 0; channelIndex != xs.size();
+             ++channelIndex) {
+          const double binEdge =
+              tofDelay + static_cast<double>(channelIndex) * tofChannelWidth -
+              tofChannelWidth / 2;
+          TS_ASSERT_DELTA(xs[channelIndex], binEdge, 1e-3)
+        }
+      } else {
+        for (size_t channelIndex = 0; channelIndex != xs.size();
+             ++channelIndex) {
+          TS_ASSERT_EQUALS(xs[channelIndex], channelIndex)
+        }
       }
       const auto &ys = histogram.y();
       const auto &es = histogram.e();
@@ -114,9 +124,10 @@ public:
     const size_t channelCount = 512;
     const size_t histogramCount = 397;
     const size_t monitorCount = 1;
+    const bool convertToTOF = true;
     MatrixWorkspace_sptr ws =
         loadDataFile("ILL/IN4/084446.nxs", histogramCount, monitorCount,
-                     channelCount, tofDelay, tofChannelWidth);
+                     channelCount, tofDelay, tofChannelWidth, convertToTOF);
 
     const double pulseInterval =
         ws->run().getLogAsSingleValue("pulse_interval");
@@ -130,8 +141,9 @@ public:
     const size_t channelCount = 512;
     const size_t histogramCount = 98305;
     const size_t monitorCount = 1;
+    const bool convertToTOF = true;
     loadDataFile("ILL/IN5/104007.nxs", histogramCount, monitorCount,
-                 channelCount, tofDelay, tofChannelWidth);
+                 channelCount, tofDelay, tofChannelWidth, convertToTOF);
   }
 
   void test_IN6_load() {
@@ -141,9 +153,10 @@ public:
     const size_t channelCount = 1024;
     const size_t histogramCount = 340;
     const size_t monitorCount = 3;
+    const bool convertToTOF = true;
     MatrixWorkspace_sptr ws =
         loadDataFile("ILL/IN6/164192.nxs", histogramCount, monitorCount,
-                     channelCount, tofDelay, tofChannelWidth);
+                     channelCount, tofDelay, tofChannelWidth, convertToTOF);
 
     const double pulseInterval =
         ws->run().getLogAsSingleValue("pulse_interval");
@@ -216,8 +229,21 @@ public:
     const size_t channelCount = 512;
     const size_t histogramCount = 73729;
     const size_t monitorCount = 1;
+    const bool convertToTOF = false;
     loadDataFile("ILL/PANTHER/001723.nxs", histogramCount, monitorCount,
-                 channelCount, tofDelay, tofChannelWidth);
+                 channelCount, tofDelay, tofChannelWidth, convertToTOF);
+  }
+
+  void test_convertToTOF() {
+    // From the input test file.
+    const double tofDelay = 0;
+    const double tofChannelWidth = 0; // should not be usesd
+    const size_t channelCount = 512;
+    const size_t histogramCount = 98305;
+    const size_t monitorCount = 1;
+    const bool convertToTOF = false;
+    loadDataFile("ILL/IN5/104007.nxs", histogramCount, monitorCount,
+                 channelCount, tofDelay, tofChannelWidth, convertToTOF);
   }
 };
 

Framework/PythonInterface/plugins/algorithms/WorkflowAlgorithms/DirectILLCollectData.py

@@ -727,7 +727,7 @@ class DirectILLCollectData(DataProcessorAlgorithm):
         if inputFiles:
             mergedWSName = self._names.withSuffix('merged')
             mainWS = LoadAndMerge(Filename=inputFiles, OutputWorkspace=mergedWSName,
-                                  LoaderName='LoadILLTOF', EnableLogging=self._subalgLogging)
+                                  LoaderName='LoadILLTOF', LoaderOptions={"ConvertToTOF": True}, EnableLogging=self._subalgLogging)
         else:
             mainWS = self.getProperty(common.PROP_INPUT_WS).value
             self._cleanup.protect(mainWS)

Testing/SystemTests/tests/analysis/ILLDirectGeometryReductionTest.py

@@ -208,9 +208,9 @@ class IN6(systemtesting.MantidSystemTest):
 class IN5_Tube_Background(systemtesting.MantidSystemTest):
 
     def runTest(self):
-        Load(Filename='ILL/IN5/Epp.nxs', OutputWorkspace='Epp')
-        Load(Filename='ILL/IN5/Sample.nxs', OutputWorkspace='Sample')
-        Load(Filename='ILL/IN5/Vmask.nxs', OutputWorkspace='Vmask')
+        Load(Filename='ILL/IN5/Epp.nxs', OutputWorkspace='Epp', ConvertToTOF=True)
+        Load(Filename='ILL/IN5/Sample.nxs', OutputWorkspace='Sample', ConvertToTOF=True)
+        Load(Filename='ILL/IN5/Vmask.nxs', OutputWorkspace='Vmask', ConvertToTOF=True)
         args = {'InputWorkspace':'Sample',
                 'DiagnosticsWorkspace':'Vmask',
                 'EPPWorkspace':'Epp',
@@ -247,7 +247,7 @@ class IN5_Mask_Non_Overlapping_Bins(systemtesting.MantidSystemTest):
             OutputEPPWorkspace='Epp'
         )
 
-        ws = Load(run)
+        ws = Load(run, ConvertToTOF=True)
         self.ecrase(ws)
 
         DirectILLCollectData(

docs/source/algorithms/DirectILLCollectData-v1.rst

@@ -140,7 +140,7 @@ For usage of this algorithm as part of the direct geometry data reduction, check
     # It is recommended to use DirectILLCollectData over the basic Load
     preprocessed = DirectILLCollectData('ILL/IN4/087294+087295.nxs')
     # Compare to simply loading the data
-    raw = Load('ILL/IN4/087294+087295.nxs')
+    raw = Load('ILL/IN4/087294+087295.nxs', ConvertToTOF=True)
     # The workspace loaded by 'Load' includes monitor data which
     # makes 2D plotting difficult
     nRaw = raw.getNumberHistograms()

docs/source/algorithms/LoadILLTOF-v2.rst

@@ -14,7 +14,9 @@ the given name.
 
 To date this algorithm only supports: IN4, IN5, IN6 and PANTHER.
 
-This algorithm also supports diffraction mode. In this case, the unit of the output workspace will be wavelength instead of time-of-flight.
+By default, this algorithm loads the data indexed by channels. To convert to time-of-flight, use the ConvertToTOF option.
+
+This algorithm also supports diffraction mode. In this case, the unit of the output workspace will be wavelength instead of time-of-flight or channel.
 
 .. note::
     The initial time-of-flight axis is set up using the 'time_of_flight' field in the NeXus file. Therefore the conversion from 'TOF' to 'DeltaE' may not give the correct zero-energy transfer.

docs/source/release/v5.1.0/direct_geometry.rst

@@ -9,4 +9,10 @@ Direct Geometry Changes
     putting new features at the top of the section, followed by
     improvements, followed by bug fixes.
 
-:ref:`Release 5.1.0 <v5.1.0>`
\ No newline at end of file
+Improvements
+############
+
+For ILL time-of-flight instruments, :ref:`LoadILLTOF <algm-LoadILLTOF-v2>` now allows bin edges determined by channel
+number by default, but you can still convert to time-of-flight using the `ConvertToTOF` property.
+
+:ref:`Release 5.1.0 <v5.1.0>`