Merge pull request #370 from mantidproject/feature/11282_spice_issues

Fixing usability issues for reducing HFIR data from SPICE file

Code/Mantid/Framework/DataHandling/src/LoadSpiceAscii.cpp

@@ -129,8 +129,16 @@ void LoadSpiceAscii::init() {
                   "Otherwise, any log name is not listed will be treated as "
                   "string property.");
 
-  declareProperty(new ArrayProperty<std::string>("DateAndTimeLog"),
-                  "Name and format for date and time");
+  // date: MM/DD/YYYY,time: HH:MM:SS AM is the standard SPICE date time log name
+  // and format
+  std::vector<std::string> defaultlogformat(4);
+  defaultlogformat[0] = "date";
+  defaultlogformat[1] = "MM/DD/YYYY";
+  defaultlogformat[2] = "time";
+  defaultlogformat[3] = "HH:MM:SS AM";
+  declareProperty(
+      new ArrayProperty<std::string>("DateAndTimeLog", defaultlogformat),
+      "Name and format for date and time");
 
   // Output
   declareProperty(new WorkspaceProperty<ITableWorkspace>("OutputWorkspace", "",
@@ -461,8 +469,10 @@ void LoadSpiceAscii::setupRunStartTime(
         runinfows->run().hasProperty(timelogname))) {
     std::stringstream errss;
     errss << "Unable to locate user specified date and time sample logs "
-          << datelogname << " and " << timelogname << ".";
-    throw std::runtime_error(errss.str());
+          << datelogname << " and " << timelogname << "."
+          << "run_start will not be set up.";
+    g_log.error(errss.str());
+    return;
   }
 
   const std::string &rawdatestring =

Code/Mantid/Framework/Kernel/inc/MantidKernel/Unit.h

@@ -616,11 +616,17 @@ class MANTID_KERNEL_DLL Time : public Unit {
 class MANTID_KERNEL_DLL Degrees : public Empty {
 public:
   Degrees();
-  const std::string unitID() const { return ""; }
-  virtual const std::string caption() const { return "Scattering angle"; }
+  const std::string unitID() const; /// < Degrees
+  const std::string caption() const { return "Scattering angle"; }
   const UnitLabel label() const;
 
-  virtual Unit *clone() const { return new Degrees(*this); }
+  virtual void init();
+  virtual Unit *clone() const;
+
+  virtual double singleToTOF(const double x) const;
+  virtual double singleFromTOF(const double tof) const;
+  virtual double conversionTOFMin() const;
+  virtual double conversionTOFMax() const;
 
 private:
   UnitLabel m_label;

Code/Mantid/Framework/Kernel/src/Unit.cpp

@@ -1122,10 +1122,36 @@ Unit *Time::clone() const { return new Time(*this); }
  * Degrees prints degrees as a label
  */
 
+DECLARE_UNIT(Degrees)
+
 Degrees::Degrees() : Empty(), m_label("degrees") {}
 
 const UnitLabel Degrees::label() const { return m_label; }
 
+void Degrees::init() {}
+
+double Degrees::singleToTOF(const double x) const {
+  UNUSED_ARG(x);
+  throw std::runtime_error("Degrees is not allowed to be convert to TOF. ");
+  return 0.0;
+}
+
+double Degrees::singleFromTOF(const double tof) const {
+  UNUSED_ARG(tof);
+  throw std::runtime_error("Degrees is not allwed to be converted from TOF. ");
+  return 0.0;
+}
+
+double Degrees::conversionTOFMax() const {
+  return std::numeric_limits<double>::quiet_NaN();
+}
+
+double Degrees::conversionTOFMin() const {
+  return std::numeric_limits<double>::quiet_NaN();
+}
+
+Unit *Degrees::clone() const { return new Degrees(*this); }
+
 } // namespace Units
 
 } // namespace Kernel

Code/Mantid/Framework/Kernel/test/UnitTest.h

@@ -1325,6 +1325,11 @@ class UnitTest : public CxxTest::TestSuite
 
   }
 
+  /// Test unit Degress
+  void testDegress() {
+    TS_ASSERT_EQUALS(degrees.caption(), "Scattering angle");
+    TS_ASSERT_EQUALS(degrees.unitID(), "Degrees");
+  }
 
 private:
   Units::Label label;
@@ -1340,6 +1345,7 @@ class UnitTest : public CxxTest::TestSuite
   Units::Momentum k_i;
   Units::SpinEchoLength delta;
   Units::SpinEchoTime tau;
+  Units::Degrees degrees;
 };
 
 #endif /*UNITTEST_H_*/

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

@@ -108,8 +108,12 @@ class DLLExport ConvertCWPDMDToSpectra : public API::Algorithm {
 
   /// Summary of algorithms purpose
   virtual const std::string summary() const {
-    return "Binning the constant wavelength powder diffracton data stored in "
-           "MDWorkspaces to single spectrum.";
+    return "Convert constant wavelength (CW) powder diffraction (PD) data in "
+           "MDEventWorksapces "
+           " to a single-spectrum MatrixWorkspace, i.e., binning the "
+           "diffraction data "
+           " to single spectrum according to neutron's scattering angle, "
+           "d-spacing or Q. ";
   }
 
   /// Algorithm's version
@@ -134,6 +138,12 @@ class DLLExport ConvertCWPDMDToSpectra : public API::Algorithm {
       const std::map<int, double> &map_runwavelength, const double xmin,
       const double xmax, const double binsize, bool dolinearinterpolation);
 
+  /// Find the binning boundary according to detectors' positions
+  void findXBoundary(API::IMDEventWorkspace_const_sptr dataws,
+                     const std::string &targetunit,
+                     const std::map<int, double> &map_runwavelength,
+                     double &xmin, double &xmax);
+
   /// Bin signals to its 2theta position
   void binMD(API::IMDEventWorkspace_const_sptr mdws, const char &unitbit,
              const std::map<int, double> &map_runlambda,