Merge remote-tracking branch 'origin/feature/9209_can_file_in_diffrac…

…tion'
mantidproject · Jul 10, 2014 · 9c09868 · 9c09868
2 parents b8be45a + 72b2ae3
commit 9c09868
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Showing 9 changed files with 117 additions and 22 deletions.
diff --git a/Code/Mantid/instrument/IRIS_diffraction_diffonly_Parameters.xml b/Code/Mantid/instrument/IRIS_diffraction_diffonly_Parameters.xml
@@ -6,6 +6,14 @@
   <value val="diffraction" />
 </parameter>
 
+<parameter name="analyser" type="string">
+  <value val="diff" />
+</parameter>
+
+<parameter name="reflection" type="string">
+  <value val="only" />
+</parameter>
+
 <parameter name="spectra-min">
 	<value val="3" />
 </parameter>

diff --git a/Code/Mantid/instrument/IRIS_diffraction_diffspec_Parameters.xml b/Code/Mantid/instrument/IRIS_diffraction_diffspec_Parameters.xml
@@ -6,6 +6,14 @@
   <value val="diffraction" />
 </parameter>
 
+<parameter name="analyser" type="string">
+  <value val="diff" />
+</parameter>
+
+<parameter name="reflection" type="string">
+  <value val="spec" />
+</parameter>
+
 <parameter name="spectra-min">
 	<value val="105" />
 </parameter>

diff --git a/Code/Mantid/instrument/OSIRIS_diffraction_diffonly_Parameters.xml b/Code/Mantid/instrument/OSIRIS_diffraction_diffonly_Parameters.xml
@@ -7,6 +7,14 @@
   <value val="diffraction" />
 </parameter>
 
+<parameter name="analyser" type="string">
+  <value val="diff" />
+</parameter>
+
+<parameter name="reflection" type="string">
+  <value val="only" />
+</parameter>
+
 <parameter name="spectra-min">
 	<value val="3" />
 </parameter>

diff --git a/Code/Mantid/instrument/OSIRIS_diffraction_diffspec_Parameters.xml b/Code/Mantid/instrument/OSIRIS_diffraction_diffspec_Parameters.xml
@@ -6,6 +6,14 @@
   <value val="diffraction" />
 </parameter>
 
+<parameter name="analyser" type="string">
+  <value val="diff" />
+</parameter>
+
+<parameter name="reflection" type="string">
+  <value val="spec" />
+</parameter>
+
 <parameter name="spectra-min">
 	<value val="3" />
 </parameter>

diff --git a/Code/Mantid/instrument/TOSCA_diffraction_diffspec_Parameters.xml b/Code/Mantid/instrument/TOSCA_diffraction_diffspec_Parameters.xml
@@ -7,6 +7,14 @@
     <value val="diffraction" />
 </parameter>
 
+<parameter name="analyser" type="string">
+  <value val="diff" />
+</parameter>
+
+<parameter name="reflection" type="string">
+  <value val="spec" />
+</parameter>
+
 <parameter name="spectra-min">
     <value val="146" />
 </parameter>
@@ -23,6 +31,10 @@
     <value val="1" />
 </parameter>
 
+<parameter name="Workflow.NamingConvention" type="string">
+  <value val="AnalyserReflection" />
+</parameter>
+
 <!-- These two properties being set to invalid values (-1) will signal to the
     reducer that it is not to correct for monitor efficiency.
     -->

diff --git a/Code/Mantid/instrument/VESUVIO_diffraction_diffspec_Parameters.xml b/Code/Mantid/instrument/VESUVIO_diffraction_diffspec_Parameters.xml
@@ -7,6 +7,14 @@
     <value val="diffraction" />
 </parameter>
 
+<parameter name="analyser" type="string">
+  <value val="diff" />
+</parameter>
+
+<parameter name="reflection" type="string">
+  <value val="spec" />
+</parameter>
+
 <parameter name="spectra-min">
     <value val="3" />
 </parameter>

diff --git a/Code/Mantid/scripts/Inelastic/IndirectCommon.py b/Code/Mantid/scripts/Inelastic/IndirectCommon.py
@@ -93,6 +93,15 @@ def getEfixed(workspace, detIndex=0):
     inst = mtd[workspace].getInstrument()
     return inst.getNumberParameter("efixed-val")[0]
 
+def checkUnitIs(ws, unit_id, axis_index=0):
+    """ 
+    Check that the workspace has the correct units by comparing 
+    against the UnitID.
+    """
+    axis = mtd[ws].getAxis(axis_index)
+    unit = axis.getUnit()
+    return (unit.unitID() == unit_id)
+
 # Get the default save directory and check it's valid
 def getDefaultWorkingDirectory():
     workdir = config['defaultsave.directory']

diff --git a/Code/Mantid/scripts/Inelastic/IndirectDataAnalysis.py b/Code/Mantid/scripts/Inelastic/IndirectDataAnalysis.py
@@ -834,7 +834,6 @@ def CubicFit(inputWS, spec, Verbose=False):
        logger.notice('Group '+str(spec)+' of '+inputWS+' ; fit coefficients are : '+str(Abs))
     return Abs
 
-
 def subractCanWorkspace(sample, can, output_name, rebin_can=False):
     '''Subtract the can workspace from the sample workspace.
     Optionally rebin the can to match the sample.
@@ -860,9 +859,8 @@ def applyCorrections(inputWS, canWS, corr, rebin_can=False, Verbose=False):
     '''Through the PolynomialCorrection algorithm, makes corrections to the
     input workspace based on the supplied correction values.'''
     # Corrections are applied in Lambda (Wavelength)
+
     efixed = getEfixed(inputWS)                # Get efixed
-    theta,Q = GetThetaQ(inputWS)
-    sam_name = getWSprefix(inputWS)
     ConvertUnits(InputWorkspace=inputWS, OutputWorkspace=inputWS, Target='Wavelength',
         EMode='Indirect', EFixed=efixed)
 
@@ -915,17 +913,21 @@ def applyCorrections(inputWS, canWS, corr, rebin_can=False, Verbose=False):
                 CloneWorkspace(InputWorkspace=CorrectedSampleWS, OutputWorkspace=CorrectedWS)
             else:
                 ConjoinWorkspaces(InputWorkspace1=CorrectedWS, InputWorkspace2=CorrectedSampleWS,
-                                  CheckOverlapping=False)
+                                      CheckOverlapping=False)
+
     ConvertUnits(InputWorkspace=inputWS, OutputWorkspace=inputWS, Target='DeltaE',
         EMode='Indirect', EFixed=efixed)
     ConvertUnits(InputWorkspace=CorrectedWS, OutputWorkspace=CorrectedWS, Target='DeltaE',
         EMode='Indirect', EFixed=efixed)
     ConvertSpectrumAxis(InputWorkspace=CorrectedWS, OutputWorkspace=CorrectedWS+'_rqw', 
         Target='ElasticQ', EMode='Indirect', EFixed=efixed)
+
     RenameWorkspace(InputWorkspace=CorrectedWS, OutputWorkspace=CorrectedWS+'_red')
+
     if canWS != '':
         ConvertUnits(InputWorkspace=canWS, OutputWorkspace=canWS, Target='DeltaE',
             EMode='Indirect', EFixed=efixed)
+
     DeleteWorkspace('Fit_NormalisedCovarianceMatrix')
     DeleteWorkspace('Fit_Parameters')
     DeleteWorkspace('Fit_Workspace')
@@ -938,11 +940,23 @@ def abscorFeeder(sample, container, geom, useCor, corrections, Verbose=False, Re
     StartTime('ApplyCorrections')
     workdir = config['defaultsave.directory']
     s_hist,sxlen = CheckHistZero(sample)
+
+    diffraction_run = checkUnitIs(sample, 'dSpacing')
     sam_name = getWSprefix(sample)
-    efixed = getEfixed(sample)
+    ext = '_red'
+
+    if not diffraction_run:
+        efixed = getEfixed(sample)
+
     if container != '':
-        CheckAnalysers(sample,container,Verbose)
-        CheckHistSame(sample,'Sample',container,'Container')
+        CheckHistSame(sample, 'Sample', container, 'Container')
+
+        if not diffraction_run:
+            CheckAnalysers(sample, container, Verbose)
+
+        if diffraction_run and not checkUnitIs(container, 'dSpacing'):
+            raise ValueError("Sample and Can must both have the same units.")
+
         (instr, can_run) = getInstrRun(container)
 
         scaled_container = "__apply_corr_scaled_container"
@@ -956,23 +970,25 @@ def abscorFeeder(sample, container, geom, useCor, corrections, Verbose=False, Re
             CloneWorkspace(InputWorkspace=container, OutputWorkspace=scaled_container)
 
     if useCor:
+        if diffraction_run:
+            raise NotImplementedError("Applying absorption corrections is not currently supported for diffraction data.")
+
         if Verbose:
             text = 'Correcting sample ' + sample
             if scaled_container != '':
                 text += ' with ' + scaled_container
             logger.notice(text)
-
-        cor_result = applyCorrections(sample, container, corrections, rebin_can=RebinCan, Verbose=Verbose)
 
-        rws = mtd[cor_result+'_red']
-        outNm= cor_result + '_Result_'
+        cor_result = applyCorrections(sample, container, corrections, RebinCan, Verbose)
+        rws = mtd[cor_result + ext]
+        outNm = cor_result + '_Result_'
 
         if Save:
-            cred_path = os.path.join(workdir,cor_result+'_red.nxs')
-            SaveNexusProcessed(InputWorkspace=cor_result+'_red',Filename=cred_path)
+            cred_path = os.path.join(workdir,cor_result + ext + '.nxs')
+            SaveNexusProcessed(InputWorkspace=cor_result + ext, Filename=cred_path)
             if Verbose:
                 logger.notice('Output file created : '+cred_path)
-        calc_plot = [cor_result+'_red',sample]
+        calc_plot = [cor_result + ext, sample]
         res_plot = cor_result+'_rqw'
     else:
         if ( scaled_container == '' ):
@@ -984,25 +1000,37 @@ def abscorFeeder(sample, container, geom, useCor, corrections, Verbose=False, Re
 
             subractCanWorkspace(sample, scaled_container, sub_result, rebin_can=RebinCan)
 
-            ConvertSpectrumAxis(InputWorkspace=sub_result, OutputWorkspace=sub_result+'_rqw', 
-                Target='ElasticQ', EMode='Indirect', EFixed=efixed)
+            if not diffraction_run:
+                ConvertSpectrumAxis(InputWorkspace=sub_result, OutputWorkspace=sub_result+'_rqw', 
+                    Target='ElasticQ', EMode='Indirect', EFixed=efixed)
+
             RenameWorkspace(InputWorkspace=sub_result, OutputWorkspace=sub_result+'_red')
             rws = mtd[sub_result+'_red']
             outNm= sub_result + '_Result_'
+
             if Save:
-                sred_path = os.path.join(workdir,sub_result+'_red.nxs')
-                SaveNexusProcessed(InputWorkspace=sub_result+'_red',Filename=sred_path)
+                sred_path = os.path.join(workdir,sub_result + ext + '.nxs')
+                SaveNexusProcessed(InputWorkspace=sub_result + ext, Filename=sred_path)
                 if Verbose:
-                    logger.notice('Output file created : '+sred_path)
-            res_plot = sub_result+'_rqw'
+                    logger.notice('Output file created : ' + sred_path)
+
+            if not diffraction_run:
+                res_plot = sub_result + '_rqw'
+            else:
+                res_plot = sub_result + '_red'
 
     if (PlotResult != 'None'):
-        plotCorrResult(res_plot,PlotResult)
+        plotCorrResult(res_plot, PlotResult)
 
     if ( scaled_container != '' ):
         sws = mtd[sample]
         cws = mtd[scaled_container]
         names = 'Sample,Can,Calc'
+
+        x_unit = 'DeltaE'
+        if diffraction_run:
+            x_unit = 'dSpacing'
+
         for i in range(0, s_hist): # Loop through each spectra in the inputWS
             dataX = np.array(sws.readX(i))
             dataY = np.array(sws.readY(i))
@@ -1014,8 +1042,10 @@ def abscorFeeder(sample, container, geom, useCor, corrections, Verbose=False, Re
             dataY = np.append(dataY,np.array(rws.readY(i)))
             dataE = np.append(dataE,np.array(rws.readE(i)))
             fout = outNm + str(i)
+
             CreateWorkspace(OutputWorkspace=fout, DataX=dataX, DataY=dataY, DataE=dataE,
-                Nspec=3, UnitX='DeltaE', VerticalAxisUnit='Text', VerticalAxisValues=names)
+                Nspec=3, UnitX=x_unit, VerticalAxisUnit='Text', VerticalAxisValues=names)
+
             if i == 0:
                 group = fout
             else:

diff --git a/Code/Mantid/scripts/Inelastic/IndirectDiffractionReduction.py b/Code/Mantid/scripts/Inelastic/IndirectDiffractionReduction.py
@@ -45,6 +45,10 @@ def _setup_steps(self):
             step.set_formats(self._save_formats)
             self.append_step(step)
 
+        step = steps.Naming()
+        self.append_step(step)
+
+
 def getStringProperty(workspace, property):
     """This function is used in the interface.
     """