Add code to get Q and theta for spec axis in Q

Refs #10454
mantidproject · Oct 31, 2014 · 26a974e · 26a974e
1 parent d48fb15
commit 26a974e
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Showing 2 changed files with 30 additions and 12 deletions.
diff --git a/Code/Mantid/scripts/Inelastic/IndirectBayes.py b/Code/Mantid/scripts/Inelastic/IndirectBayes.py
@@ -185,10 +185,9 @@ def QLRun(program,samWS,resWS,resnormWS,erange,nbins,Fit,wfile,Loop,Verbose,Plot
     	logger.notice('Sample is ' + samWS)
     	logger.notice('Resolution is ' + resWS)
 
-    if facility == 'ISIS':
-    	CheckAnalysers(samWS,resWS,Verbose)
-    	efix = getEfixed(samWS)
-    	theta,Q = GetThetaQ(samWS)
+    CheckAnalysers(samWS,resWS,Verbose)
+    efix = getEfixed(samWS)
+    theta, Q = GetThetaQ(samWS)
 
     nsam,ntc = CheckHistZero(samWS)
 
@@ -972,4 +971,4 @@ def ResNormPlot(inputWS,Plot):
     	s_plot=mp.plotSpectrum(sWS,0,False)
     if (Plot == 'Fit' or Plot == 'All'):
     	fWS = inputWS + '_ResNorm_Fit'
-    	f_plot=mp.plotSpectrum(fWS,0,False)
+    	f_plot=mp.plotSpectrum(fWS,0,False)
diff --git a/Code/Mantid/scripts/Inelastic/IndirectCommon.py b/Code/Mantid/scripts/Inelastic/IndirectCommon.py
@@ -157,15 +157,34 @@ def GetWSangles(inWS):
     return angles
 
 def GetThetaQ(ws):
-    nhist = mtd[ws].getNumberHistograms()    					# get no. of histograms/groups
-    efixed = getEfixed(ws)
-    wavelas = math.sqrt(81.787/efixed)    				   # elastic wavelength
-    k0 = 4.0*math.pi/wavelas
+    """
+    Returns the theta and elastic Q for each spectrum in a given workspace.
+
+    @param ws Wotkspace to get theta and Q for
+    @returns A tuple containing a list of theta values and a list of Q values
+    """
 
-    theta = np.array(GetWSangles(ws))
-    Q = k0 * np.sin(0.5 * np.radians(theta))
+    eFixed = getEfixed(ws)
+    wavelas = math.sqrt(81.787 / eFixed)  # Elastic wavelength
+    k0 = 4.0 * math.pi / wavelas
+
+    axis = mtd[ws].getAxis(1)
+
+    # If axis is in spec number need to retrieve angles and calculate Q
+    if axis.isSpectra():
+        theta = np.array(GetWSangles(ws))
+        q = k0 * np.sin(0.5 * np.radians(theta))
+
+    # If axis is in Q need to calculate back to angles and just return axis values
+    else if axis.isNumeric() and axis.getUnit().unitID() == 'MomentumTransfer':
+        q = axis.extractValues()
+        theta = 2.0 * np.degrees(np.arcsin(q / k0))
+
+    # Out of options here
+    else:
+        raise RuntimeError('Cannot get theta and Q for workspace %s' % ws)
 
-    return theta, Q
+    return theta, q
 
 def ExtractFloat(data_string):
     """ Extract float values from an ASCII string"""