Refs #5300 - Addition of Moments Python scripts.

First step, for testing, before they are to be rigged up to the interface.

Code/Mantid/Framework/PythonAPI/PythonAlgorithms/Moments.py

@@ -0,0 +1,34 @@
+# Algorithm to start Bayes programs
+from MantidFramework import *
+from mantidsimple import *
+from mantidplotpy import *
+import IndirectMoment as Main
+
+class Moments(PythonAlgorithm):
+
+	def PyInit(self):
+		self.declareProperty(Name='Instrument',DefaultValue='IRIS',Validator=ListValidator(['IRIS','OSIRIS']),Description = 'Instrument')
+		self.declareProperty(Name='Analyser',DefaultValue='graphite002',Validator=ListValidator(['graphite002','graphite004']),Description = 'Analyser & reflection')
+		self.declareProperty(Name='SamNumber',DefaultValue='',Validator=MandatoryValidator(),Description = 'Sample run number')
+		self.declareProperty('Verbose',DefaultValue=True,Description = 'Switch Verbose Off/On')
+		self.declareProperty('Plot',DefaultValue=True,Description = 'Switch Plot Off/On')
+		self.declareProperty('Save',DefaultValue=False,Description = 'Switch Save result to nxs file Off/On')
+
+	def PyExec(self):
+
+		self.log().information('Moments calculation')
+		instr = self.getPropertyValue('Instrument')
+		if instr == 'IRIS':
+			prefix = 'irs'
+		if instr == 'OSIRIS':
+			prefix = 'osi'
+		ana = self.getPropertyValue('Analyser')
+		sn = self.getPropertyValue('SamNumber')
+		sam = prefix+sn+'_'+ana+'_sqw'
+
+		verbOp = self.getProperty('Verbose')
+		plotOp = self.getProperty('Plot')
+		saveOp = self.getProperty('Save')
+		Main.MomentStart(sam,verbOp,plotOp,saveOp)
+
+mantid.registerPyAlgorithm(Moments())         # Register algorithm with Mantid

Code/Mantid/scripts/Inelastic/IndirectMoment.py

@@ -0,0 +1,73 @@
+# Transmission main
+#
+from mantid.simpleapi import *
+import mantidplot as mp
+from mantid import config, logger, mtd
+from IndirectCommon import StartTime, EndTime, GetThetaQ
+import numpy, os.path
+
+def MomentRun(samWS,Verbose,Plot,Save):
+    StartTime('Moments')
+    workdir = config['defaultsave.directory']
+    nq = mtd[samWS].getNumberHistograms()       # no. of hist/groups in sample
+    if Verbose:
+        logger.notice('Sample '+samWS+' has '+str(nq)+' Q values')
+    axis = mtd[samWS].getAxis(1)
+    Q = []
+    e0 = []
+    for i in range(0,nq):
+        Q.append(float(axis.label(i)))
+        e0.append(0.0)
+    Xin = mtd[samWS].readX(0)
+    nw = len(Xin)-1
+    w = Xin[:nw]
+    yM0 = []
+    yM1 = []
+    yM2 = []
+    yM4 = []
+    for m in range(0,nq):
+        if Verbose:
+            logger.notice('Group '+str(m+1)+' at Q = '+str(Q[m]))
+        S = mtd[samWS].readY(m)
+        m0 = sum(S)
+        wS = w*S
+        m1 = sum(wS)/m0
+        w2S = w*wS
+        m2 = sum(w2S)/m0
+        w4S = w*w*w2S
+        m4 = sum(w4S)/m0
+        text = 'M0 = '+str(m0)+' ; M2 = '+str(m2)+' ; M4 = '+str(m4)
+        logger.notice(text)
+        yM0.append(m0)
+        yM1.append(m1)
+        yM2.append(m2)
+        yM4.append(m4)
+    fname = samWS[:-3] + 'Moments'
+    CreateWorkspace(OutputWorkspace=fname+'_M0', DataX=Q, DataY=yM0, DataE=e0,
+        Nspec=1, UnitX='MomentumTransfer')
+    CreateWorkspace(OutputWorkspace=fname+'_M1', DataX=Q, DataY=yM1, DataE=e0,
+        Nspec=1, UnitX='MomentumTransfer')
+    CreateWorkspace(OutputWorkspace=fname+'_M2', DataX=Q, DataY=yM2, DataE=e0,
+        Nspec=1, UnitX='MomentumTransfer')
+    CreateWorkspace(OutputWorkspace=fname+'_M4', DataX=Q, DataY=yM4, DataE=e0,
+        Nspec=1, UnitX='MomentumTransfer')
+    group = fname+'_M0,'+fname+'_M1,'+fname+'_M2,'+fname+'_M4'
+    GroupWorkspaces(InputWorkspaces=group,OutputWorkspace=fname)
+    if Save:
+        opath = os.path.join(workdir,fname+'.nxs')
+        SaveNexusProcessed(InputWorkspace=fname, Filename=opath)
+        if Verbose:
+			logger.notice('Output file : ' + opath)
+    if (Plot != 'None'):
+        MomentPlot(fname,Plot)
+    EndTime('Moments')	
+
+def MomentPlot(inputWS,Plot):
+    m0_plot=mp.plotSpectrum(inputWS+'_M0',0)
+    m2_plot=mp.plotSpectrum([inputWS+'_M2',inputWS+'_M4'],0)
+
+def MomentStart(sname,Verbose,Plot,Save):
+    workdir = config['defaultsave.directory']
+    spath = os.path.join(workdir, sname+'.nxs')		# path name for sample nxs file
+    LoadNexusProcessed(Filename=spath, OutputWorkspace=sname)
+    MomentRun(sname,Verbose,Plot,Save)