Refs #4593 - Aclimax save format option added to CTE for TOSCA.

Checkbox added and reduction step inserted.  Also, change made to code included in the commit for #4621.

Code/Mantid/Framework/DataHandling/test/LoadRaw3Test.h

@@ -387,7 +387,7 @@ class LoadRaw3Test : public CxxTest::TestSuite
     TS_ASSERT_EQUALS( ptrDet->getID(), 60);
 
     Mantid::Geometry::ParameterMap& pmap = output2D->instrumentParameters();
-    TS_ASSERT_EQUALS( static_cast<int>(pmap.size()), 154);
+    TS_ASSERT_EQUALS( static_cast<int>(pmap.size()), 155);
 	AnalysisDataService::Instance().remove("parameterIDF");
   }
 

Code/Mantid/MantidQt/CustomInterfaces/src/Indirect.cpp

@@ -251,19 +251,18 @@ void Indirect::runConvertToEnergy()
     pyInput += "reducer.set_fold_multiple_frames(False)\n";
   }
 
+  if( m_uiForm.ckCm1Units->isChecked() )
+  {
+    pyInput +=
+      "reducer.set_save_to_cm_1(True)\n";
+  }
+
   pyInput += "reducer.set_save_formats([" + savePyCode() + "])\n";
 
   pyInput +=
     "reducer.reduce()\n"
     "ws_list = reducer.get_result_workspaces()\n";
 
-  if( m_uiForm.ckCm1Units->isChecked() )
-  {
-    pyInput +=
-      "for ws in ws_list:"
-      "  ConvertUnits(InputWorkspace=ws,OutputWorkspace=ws,EMode='Indirect',Target='DeltaE_inWavenumber')";
-  }
-
   // Plot Output options
   switch ( m_uiForm.ind_cbPlotOutput->currentIndex() )
   {
@@ -360,7 +359,8 @@ void Indirect::setIDFValues(const QString & prefix)
 */
 void Indirect::performInstSpecific()
 {
-  setInstSpecificWidget("cm-1-convert_choice", m_uiForm.ckCm1Units, QCheckBox::Off);
+  setInstSpecificWidget("cm-1-convert-choice", m_uiForm.ckCm1Units, QCheckBox::Off);
+  setInstSpecificWidget("save-aclimax-choice", m_uiForm.save_ckAclimax, QCheckBox::Off);
 }
 
 /**
@@ -491,6 +491,8 @@ QString Indirect::savePyCode()
     fileFormats << "nxspe";
   if ( m_uiForm.save_ckAscii->isChecked() )
     fileFormats << "ascii";
+  if ( m_uiForm.save_ckAclimax->isChecked() )
+    fileFormats << "aclimax";
 
   if ( fileFormats.size() != 0 )
     fileFormatList = "'" + fileFormats.join("', '") + "'";

Code/Mantid/instrument/TOSCA_Parameters.xml

@@ -15,7 +15,10 @@
     <value val="002" />
 </parameter>
 <!-- Available options are "Show" or "Hide". -->
-<parameter name="cm-1-convert_choice" type="string">
+<parameter name="cm-1-convert-choice" type="string">
+    <value val="Show" />
+</parameter>
+<parameter name="save-aclimax-choice" type="string">
     <value val="Show" />
 </parameter>
 
@@ -57,7 +60,7 @@
 <parameter name="Workflow.Summary" type="string">
     <value val="Average" />
 </parameter>
-
+  
 </component-link>
 
 </parameter-file>

Code/Mantid/scripts/Inelastic/inelastic_indirect_reducer.py

@@ -26,6 +26,7 @@ class IndirectReducer(MSGReducer):
     _background_end = None
     _detailed_balance_temp = None
     _rename_result = True
+    _save_to_cm_1 = False
 
     def __init__(self):
         """
@@ -98,10 +99,15 @@ def _setup_steps(self):
         step = steps.Summary(MultipleFrames=self._multiple_frames)
         self.append_step(step)
 
+        step = steps.ConvertToCm1(MultipleFrames=self._multiple_frames)
+        step.set_save_to_cm_1(self._save_to_cm_1)
+        self.append_step(step)
+
         # The "SaveItem" step saves the files in the requested formats.
         if (len(self._save_formats) > 0):
             step = steps.SaveItem()
             step.set_formats(self._save_formats)
+            step.set_save_to_cm_1(self._save_to_cm_1)
             self.append_step(step)
 
         if self._rename_result:
@@ -111,6 +117,9 @@ def _setup_steps(self):
     def set_grouping_policy(self, policy):
         self._grouping_policy = policy
 
+    def set_save_to_cm_1(self, save_to_cm_1):
+        self._save_to_cm_1 = save_to_cm_1
+
     def set_calibration_workspace(self, workspace):
         if mtd[workspace] is None:
             raise ValueError("Selected calibration workspace not found.")

Code/Mantid/scripts/Inelastic/inelastic_indirect_reduction_steps.py

@@ -627,8 +627,42 @@ def execute(self, reducer, file_ws):
             # Note: Detector info of the output becomes spurious as there will be a third entry for a detector 
             # that does not exist.
             ConjoinWorkspaces(wsName, tempName, False)
-
 
+class ConvertToCm1(ReductionStep):
+    """
+    Converts the workspaces to cm-1.
+    """
+
+    _multiple_frames = False
+    _save_to_cm_1 = False
+
+    def __init__(self, MultipleFrames=False):
+        super(ConvertToCm1, self).__init__()
+        self._multiple_frames = MultipleFrames
+
+    def execute(self, reducer, file_ws):
+
+        if self._save_to_cm_1 == False:
+            return
+
+        if ( self._multiple_frames ):
+            try:
+                workspaceNames = mtd[file_ws].getNames()
+            except AttributeError:
+                workspaceNames = [file_ws]
+        else:
+            workspaceNames = [file_ws]
+
+        for wsName in workspaceNames:
+            try:
+                ws = mtd[wsName]
+            except:
+                continue
+            ConvertUnits(InputWorkspace=ws,OutputWorkspace=ws,EMode='Indirect',Target='DeltaE_inWavenumber')
+
+    def set_save_to_cm_1(self, save_to_cm_1):
+        self._save_to_cm_1 = save_to_cm_1
+
 class ConvertToEnergy(ReductionStep):
     """
     """    
@@ -841,6 +875,7 @@ class SaveItem(ReductionStep):
             Flight if not already in that unit for saving in this format).
     """
     _formats = []
+    _save_to_cm_1 = False
 
     def __init__(self):
         super(SaveItem, self).__init__()
@@ -862,9 +897,19 @@ def execute(self, reducer, file_ws):
                 ConvertUnits(file_ws, "__save_item_temp", "TOF")
                 SaveGSS("__save_item_temp", filename+".gss")
                 DeleteWorkspace("__save_item_temp")
-
+            elif format == 'aclimax':
+                if (self._save_to_cm_1 == False):
+                    bins = '-2.5, 0.01, 3, -0.005, 500' #meV
+                else:
+                    bins = '24, -0.005, 4000' #cm-1
+                Rebin(file_ws, file_ws + '_aclimax_save_temp', bins)
+                SaveAscii(file_ws + '_aclimax_save_temp', filename+ '_aclimax.dat', Separator='Tab')
+                DeleteWorkspace(file_ws + '_aclimax_save_temp')
+
     def set_formats(self, formats):
         self._formats = formats
+    def set_save_to_cm_1(self, save_to_cm_1):
+        self._save_to_cm_1 = save_to_cm_1
 
 class Naming(ReductionStep):
     """Takes the responsibility of naming the results away from the Grouping