Refactored SofQWMoments

Refs #10706
mantidproject · Feb 16, 2015 · 945c124 · 945c124
1 parent e307846
commit 945c124
Showing 1 changed file with 53 additions and 37 deletions.
diff --git a/Code/Mantid/Framework/PythonInterface/plugins/algorithms/WorkflowAlgorithms/SofQWMoments.py b/Code/Mantid/Framework/PythonInterface/plugins/algorithms/WorkflowAlgorithms/SofQWMoments.py
@@ -12,21 +12,31 @@ class SofQWMoments(DataProcessorAlgorithm):
     def category(self):
         return "Workflow\\MIDAS;PythonAlgorithms"
 
+
     def summary (self):
         return "Calculates the nth moment of y(q,w)"
 
+
     def PyInit(self):
-        self.declareProperty(MatrixWorkspaceProperty("Sample", "", Direction.Input), doc="Sample to use.")
-        self.declareProperty(name='EnergyMin', defaultValue=-0.5, doc='Minimum energy for fit. Default=-0.5')
-        self.declareProperty(name='EnergyMax', defaultValue=0.5, doc='Maximum energy for fit. Default=0.5')
-        self.declareProperty(name='Scale', defaultValue=1.0, doc='Scale factor to multiply y(Q,w). Default=1.0')
-        self.declareProperty(name='Plot', defaultValue=False, doc='Switch Plot Off/On')
-        self.declareProperty(name='Save', defaultValue=False, doc='Switch Save result to nxs file Off/On')
+        self.declareProperty(MatrixWorkspaceProperty("Sample", "", Direction.Input),
+                             doc="Sample to use.")
+        self.declareProperty(name='EnergyMin', defaultValue=-0.5,
+                             doc='Minimum energy for fit. Default=-0.5')
+        self.declareProperty(name='EnergyMax', defaultValue=0.5,
+                             doc='Maximum energy for fit. Default=0.5')
+        self.declareProperty(name='Scale', defaultValue=1.0,
+                             doc='Scale factor to multiply y(Q,w). Default=1.0')
+        self.declareProperty(name='Plot', defaultValue=False,
+                             doc='Switch Plot Off/On')
+        self.declareProperty(name='Save', defaultValue=False,
+                             doc='Switch Save result to nxs file Off/On')
+
+        self.declareProperty(WorkspaceGroupProperty("OutputWorkspace", "", Direction.Output),
+                             doc="group_workspace workspace that includes all calculated moments.")
 
-        self.declareProperty(WorkspaceGroupProperty("OutputWorkspace", "", Direction.Output), doc="group_workspace workspace that includes all calculated moments.")
 
     def PyExec(self):
-        from IndirectCommon import CheckHistZero, CheckElimits, StartTime, EndTime, getDefaultWorkingDirectory
+        from IndirectCommon import CheckHistZero, CheckElimits, getDefaultWorkingDirectory
 
         sample_workspace = self.getPropertyValue('Sample')
         output_workspace = self.getPropertyValue('OutputWorkspace')
@@ -38,16 +48,17 @@ def PyExec(self):
         Plot = self.getProperty('Plot').value
         Save = self.getProperty('Save').value
 
-        StartTime('SofQWMoments')
         num_spectra,num_w = CheckHistZero(sample_workspace)
 
-        logger.information('Sample %s has %d Q values & %d w values' % (sample_workspace, num_spectra, num_w))
+        logger.information('Sample %s has %d Q values & %d w values' % (
+                            sample_workspace, num_spectra, num_w))
 
-        x = np.asarray(mtd[sample_workspace].readX(0))
-        CheckElimits(erange,x)
+        x_data = np.asarray(mtd[sample_workspace].readX(0))
+        CheckElimits(erange,x_data)
 
         samWS = '__temp_sqw_moments_cropped'
-        CropWorkspace(InputWorkspace=sample_workspace, OutputWorkspace=samWS, XMin=erange[0], XMax=erange[1])
+        CropWorkspace(InputWorkspace=sample_workspace, OutputWorkspace=samWS,
+                      XMin=erange[0], XMax=erange[1])
 
         logger.information('Energy range is %f to %f' % (erange[0], erange[1]))
 
@@ -57,30 +68,31 @@ def PyExec(self):
 
         #calculate delta x
         ConvertToPointData(InputWorkspace=samWS, OutputWorkspace=samWS)
-        x = np.asarray(mtd[samWS].readX(0))
-        x_workspace = CreateWorkspace(OutputWorkspace="__temp_sqw_moments_x", DataX=x, DataY=x, UnitX="DeltaE")
+        x_data = np.asarray(mtd[samWS].readX(0))
+        x_workspace = CreateWorkspace(OutputWorkspace="__temp_sqw_moments_x",
+                                      DataX=x_data, DataY=x_data, UnitX="DeltaE")
 
         #calculate moments
-        m0 = output_workspace + '_M0'
-        m1 = output_workspace + '_M1'
-        m2 = output_workspace + '_M2'
-        m3 = output_workspace + '_M3'
-        m4 = output_workspace + '_M4'
-
-        Multiply(x_workspace, samWS, OutputWorkspace=m1)
-        Multiply(x_workspace, m1, OutputWorkspace=m2)
-        Multiply(x_workspace, m2, OutputWorkspace=m3)
-        Multiply(x_workspace, m3, OutputWorkspace=m4)
-        DeleteWorkspace(m3)
+        moments_0 = output_workspace + '_M0'
+        moments_1 = output_workspace + '_M1'
+        moments_2 = output_workspace + '_M2'
+        moments_3 = output_workspace + '_M3'
+        moments_4 = output_workspace + '_M4'
+
+        Multiply(x_workspace, samWS, OutputWorkspace=moments_1)
+        Multiply(x_workspace, moments_1, OutputWorkspace=moments_2)
+        Multiply(x_workspace, moments_2, OutputWorkspace=moments_3)
+        Multiply(x_workspace, moments_3, OutputWorkspace=moments_4)
+        DeleteWorkspace(moments_3)
 
         ConvertToHistogram(InputWorkspace=samWS, OutputWorkspace=samWS)
-        Integration(samWS, OutputWorkspace=m0)
+        Integration(samWS, OutputWorkspace=moments_0)
 
-        moments = [m1, m2, m4]
+        moments = [moments_1, moments_2, moments_4]
         for moment_ws in moments:
             ConvertToHistogram(InputWorkspace=moment_ws, OutputWorkspace=moment_ws)
             Integration(moment_ws, OutputWorkspace=moment_ws)
-            Divide(moment_ws, m0, OutputWorkspace=moment_ws)
+            Divide(moment_ws, moments_0, OutputWorkspace=moment_ws)
 
         DeleteWorkspace(samWS)
         DeleteWorkspace(x_workspace)
@@ -91,12 +103,16 @@ def PyExec(self):
             ws_name = output_workspace+ext
             Transpose(InputWorkspace=ws_name, OutputWorkspace=ws_name)
             ConvertToHistogram(InputWorkspace=ws_name, OutputWorkspace=ws_name)
-            ConvertUnits(InputWorkspace=ws_name, OutputWorkspace=ws_name, Target='MomentumTransfer', EMode='Indirect')
+            ConvertUnits(InputWorkspace=ws_name, OutputWorkspace=ws_name,
+                         Target='MomentumTransfer', EMode='Indirect')
 
             CopyLogs(InputWorkspace=sample_workspace, OutputWorkspace=ws_name)
-            AddSampleLog(Workspace=ws_name, LogName="energy_min", LogType="Number", LogText=str(emin))
-            AddSampleLog(Workspace=ws_name, LogName="energy_max", LogType="Number", LogText=str(emax))
-            AddSampleLog(Workspace=ws_name, LogName="scale_factor", LogType="Number", LogText=str(factor))
+            AddSampleLog(Workspace=ws_name, LogName="energy_min",
+                         LogType="Number", LogText=str(emin))
+            AddSampleLog(Workspace=ws_name, LogName="energy_max",
+                         LogType="Number", LogText=str(emax))
+            AddSampleLog(Workspace=ws_name, LogName="scale_factor",
+                         LogType="Number", LogText=str(factor))
 
         # Group output workspace
         group_workspaces = ','.join([output_workspace+ext for ext in extensions])
@@ -113,14 +129,14 @@ def PyExec(self):
 
         self.setProperty("OutputWorkspace", output_workspace)
 
-        EndTime('SofQWMoments')
 
     def _plot_moments(self, inputWS):
         from IndirectImport import import_mantidplot
-        mp = import_mantidplot()
+        mtd_plot = import_mantidplot()
+
+        mtd_plot.plotSpectrum(inputWS+'_M0', 0)
+        mtd_plot.plotSpectrum([inputWS+'_M2', inputWS+'_M4'], 0)
 
-        mp.plotSpectrum(inputWS+'_M0', 0)
-        mp.plotSpectrum([inputWS+'_M2', inputWS+'_M4'], 0)
 
 # Register algorithm with Mantid
 AlgorithmFactory.subscribe(SofQWMoments)