Changeset 1204

Timestamp:

Jan 22, 2014 2:41:42 PM (8 years ago)

Author:

vondreele

Message:

SASD now in q only (not 2-theta); fix minor bugs

Location:

trunk

Files:

• GSASIIIO.py (modified) (3 diffs)
• GSASIIimage.py (modified) (3 diffs)
• GSASIIimgGUI.py (modified) (7 diffs)
• GSASIIplot.py (modified) (12 diffs)

trunk/GSASIIIO.py

@@ -43 +43 @@
 DEBUG = False       #=True for various prints
 TRANSP = False      #=true to transpose images for testing
+npsind = lambda x: np.sin(x*np.pi/180.)
 
 def sfloat(S):
@@ -831 +832 @@
     azms = G2frame.Integrate[1]
     X = G2frame.Integrate[2][:-1]
-    Xminmax = [X[0],X[-1]]
     N = len(X)
     Id = G2frame.PatternTree.GetItemParent(PickId)
@@ -843 +843 @@
         names = ['Type','Lam','Zero','Azimuth'] 
         codes = [0 for i in range(4)]
+        X = 4.*np.pi*npsind(X/2.)/data['wavelength']    #convert to q
+    Xminmax = [X[0],X[-1]]
     LRazm = data['LRazimuth']
     Azms = []

trunk/GSASIIimage.py

@@ -837 +837 @@
             elif 'q' == data['binType']:
                 tay = 4.*np.pi*npsind(tay/2.)/data['wavelength']
-            #change 2-theta (tay) to q or log(q) here? then LUtth & Dtth need to be changed also
             if any([tax.shape[0],tay.shape[0],taz.shape[0]]):
                 NST,H0 = h2d.histogram2d(len(tax),tax,tay,taz*tad*tabs,numAzms,numChans,LRazm,lutth,Dazm,dtth,NST,H0)
@@ -851 +850 @@
         H2 = 2.*npasind(np.exp(H2)*data['wavelength']/(4.*np.pi))
     elif 'q' == data['binType']:
-        H2 = 2.*npasind(H2*data['wavelength']/(4.*np.pi))    
+        H2 = 2.*npasind(H2*data['wavelength']/(4.*np.pi))
     if Dazm:        
         H1 = np.array([azm for azm in np.linspace(LRazm[0],LRazm[1],numAzms+1)])
@@ -860 +859 @@
         H0 /= G2pwd.Oblique(data['Oblique'][0],H2[:-1])
     if 'SASD' in data['type'] and data['PolaVal'][1]:
-        H0 /= np.array([G2pwd.Polarization(data['PolaVal'][0],H2[:-1],Azm=azm)[0] for azm in H1[:-1]+np.diff(H1)/2.])
+        H0 /= np.array([G2pwd.Polarization(data['PolaVal'][0],H2[:-1],Azm=azm)[0] for azm in (H1[:-1]+np.diff(H1)/2.)])
     Nup += 1
     if dlg:

trunk/GSASIIimgGUI.py

@@ -57 +57 @@
         data['SampleAbs'] = [0.0,False]
     if 'binType' not in data:
-        data['binType'] = '2-theta'
+        if 'PWDR' in data['type']:
+            data['binType'] = '2-theta'
+        elif 'SASD' in data['type']:
+            data['binType'] = 'log(q)'
 #end patch
 
@@ -88 +91 @@
             style = wx.PD_ELAPSED_TIME|wx.PD_AUTO_HIDE)
         try:
-            if data['background image'][0]:
-                maskCopy = copy.deepcopy(masks)
-                backImg = data['background image'][0]
-                backScale = data['background image'][1]
-                id = G2gd.GetPatternTreeItemId(G2frame, G2frame.root, backImg)
-                Npix,imagefile = G2frame.PatternTree.GetItemPyData(id)
-                backImage = G2IO.GetImageData(G2frame,imagefile,True)*backScale
-                sumImage = G2frame.ImageZ+backImage
-                G2frame.Integrate = G2img.ImageIntegrate(sumImage,data,maskCopy,blkSize,dlg)
-            else:
-                G2frame.Integrate = G2img.ImageIntegrate(G2frame.ImageZ,data,masks,blkSize,dlg)
+            sumImg = G2frame.ImageZ
+            darkImg,darkScale = data['dark image']
+            if darkImg:
+                Did = G2gd.GetPatternTreeItemId(G2frame, G2frame.root, darkImg)
+                Npix,imagefile = G2frame.PatternTree.GetItemPyData(Did)
+                darkImage = G2IO.GetImageData(G2frame,imagefile,True)
+                sumImg += darkImage*darkScale
+            backImg,backScale = data['background image']            
+            if backImg:     #ignores any transmission effect in the background image
+                Bid = G2gd.GetPatternTreeItemId(G2frame, G2frame.root, backImg)
+                Npix,imagefile = G2frame.PatternTree.GetItemPyData(Bid)
+                backImage = G2IO.GetImageData(G2frame,imagefile,True)
+                Bdata = G2frame.PatternTree.GetItemPyData(G2gd.GetPatternTreeItemId(G2frame,Bid,'Image Controls'))
+                BdarkImg,BdarkScale = Bdata['dark image']
+                if BdarkImg:
+                    BDid = G2gd.GetPatternTreeItemId(G2frame, G2frame.root,BdarkImg)
+                    Npix,imagefile = G2frame.PatternTree.GetItemPyData(BDid)
+                    BdarkImage = G2IO.GetImageData(G2frame,imagefile,True)
+                    backImage += BdarkImage*BdarkScale                
+                sumImg += backImage*backScale
+            G2frame.Integrate = G2img.ImageIntegrate(sumImg,data,masks,blkSize,dlg)
     #        G2plt.PlotIntegration(G2frame,newPlot=True)
             G2IO.SaveIntegration(G2frame,G2frame.PickId,data)
@@ -277 +290 @@
         def OnDataType(event):
             data['type'] = typeSel.GetValue()[:4]
-            if 'SASD' in data['type'] and not data['SampleAbs'][0]:
-                data['SampleAbs'][0] = 1.0  #switch from muT=0 to trans=1!
+            if 'SASD' in data['type']:
+                data['SampleAbs'][0] = np.exp(-data['SampleAbs'][0]) #switch from muT to trans!
+                if data['binType'] == '2-theta': data['binType'] = 'log(q)'  #switch default bin type
+            elif 'PWDR' in data['type']:
+                data['SampleAbs'][0] = -np.log(data['SampleAbs'][0])  #switch from trans to muT!
+                if data['binType'] == 'log(q)': data['binType'] = '2-theta'  #switch default bin type                 
             wx.CallAfter(UpdateImageControls,G2frame,data,masks)
     
@@ -598 +615 @@
             wx.ALIGN_CENTER_VERTICAL)    
         dataSizer.Add((5,0),0)
-        binChoice = ['2-theta','q','log(q)']
-        dataSizer.Add(wx.StaticText(parent=G2frame.dataDisplay,label=' Bin style: Constant'),0,
+        if 'PWDR' in data['type']:
+            binChoice = ['2-theta','q']
+        elif 'SASD' in data['type']:
+            binChoice = ['q','log(q)']
+        dataSizer.Add(wx.StaticText(parent=G2frame.dataDisplay,label=' Bin style: Constant step bins in'),0,
             wx.ALIGN_CENTER_VERTICAL)            
         binSel = wx.ComboBox(parent=G2frame.dataDisplay,value=data['binType'],choices=binChoice,
@@ -718 +738 @@
             data['background image'][0] = backImage.GetValue()
             
+        def OnDarkImage(event):
+            data['dark image'][0] = darkImage.GetValue()
+
         def OnBackMult(event):
             try:
@@ -726 +749 @@
             backMult.SetValue("%.3f" % (data['background image'][1]))          #reset in case of error 
         
+        def OnDarkMult(event):
+            try:
+                mult = float(darkMult.GetValue())
+                data['dark image'][1] = mult
+            except ValueError:
+                pass
+            darkMult.SetValue("%.3f" % (data['dark image'][1]))          #reset in case of error 
+        
         backSizer = wx.FlexGridSizer(1,4,5,5)
+
+        backSizer.Add(wx.StaticText(G2frame.dataDisplay,-1,' Dark image'),0,wx.ALIGN_CENTER_VERTICAL)
+        Choices = ['',]+G2gd.GetPatternTreeDataNames(G2frame,['IMG ',])
+        darkImage = wx.ComboBox(parent=G2frame.dataDisplay,value=data['dark image'][0],choices=Choices,
+            style=wx.CB_READONLY|wx.CB_DROPDOWN)
+        darkImage.Bind(wx.EVT_COMBOBOX,OnDarkImage)
+        backSizer.Add(darkImage)
+        backSizer.Add(wx.StaticText(G2frame.dataDisplay,-1,' multiplier'),0,wx.ALIGN_CENTER_VERTICAL)
+        darkMult =  wx.TextCtrl(parent=G2frame.dataDisplay,value=("%.3f" % (data['dark image'][1])),
+            style=wx.TE_PROCESS_ENTER)
+        darkMult.Bind(wx.EVT_TEXT_ENTER,OnDarkMult)
+        darkMult.Bind(wx.EVT_KILL_FOCUS,OnDarkMult)
+        backSizer.Add(darkMult,0,wx.ALIGN_CENTER_VERTICAL)
+
         backSizer.Add(wx.StaticText(G2frame.dataDisplay,-1,' Background image'),0,wx.ALIGN_CENTER_VERTICAL)
         Choices = ['',]+G2gd.GetPatternTreeDataNames(G2frame,['IMG ',])
@@ -875 +920 @@
         data['azmthOff'] = 0.0
     if 'background image' not in data:
-        data['background image'] = ['',1.0]
+        data['background image'] = ['',-1.0]
+    if 'dark image' not in data:
+        data['dark image'] = ['',-1.0]
     if 'centerAzm' not in data:
         data['centerAzm'] = False

trunk/GSASIIplot.py

@@ -451 +451 @@
                 G2frame.SinglePlot = False
                 G2frame.Offset = [0.,0.]
-        elif event.key == 'q':
+        elif event.key == 'q' and 'PWDR' in plottype:
             newPlot = True
             if G2frame.qPlot:
@@ -489 +489 @@
             dlg.Destroy()
             
-        PlotPatterns(G2frame,newPlot=newPlot,plotType=plottype)
+        wx.CallAfter(PlotPatterns,G2frame,newPlot=newPlot,plotType=plottype)
         
     def OnMotion(event):
@@ -500 +500 @@
                 if 'C' in Parms['Type'][0]:
                     wave = G2mth.getWave(Parms)
-                    if G2frame.qPlot:
+                    if G2frame.qPlot and 'PWDR' in plottype:
                         try:
                             xpos = 2.0*asind(xpos*wave/(4*math.pi))
@@ -506 +506 @@
                             pass
                     dsp = 0.0
-                    if abs(xpos) > 0.:                  #avoid possible singularity at beam center
-                        dsp = wave/(2.*sind(abs(xpos)/2.0))
-                        q = 2.*np.pi/dsp
+                    if abs(xpos) > 0.:
+                        if 'PWDR' in plottype:                  #avoid possible singularity at beam center
+                            dsp = wave/(2.*sind(abs(xpos)/2.0))
+                            q = 2.*np.pi/dsp
+                        elif 'SASD' in plottype:
+                            dsp = 2*np.pi/xpos
+                            q = xpos
                     if G2frame.Contour:
-                        G2frame.G2plotNB.status.SetStatusText('2-theta =%9.3f d =%9.5f q = %9.5f pattern ID =%5d'%(xpos,dsp,q,int(ypos)),1)
+                        if 'PWDR' in plottype:
+                            G2frame.G2plotNB.status.SetStatusText('2-theta =%9.3f d =%9.5f q = %9.5f pattern ID =%5d'%(xpos,dsp,q,int(ypos)),1)
+                        elif 'SASD' in plottype:
+                            G2frame.G2plotNB.status.SetStatusText('d =%9.5f q = %9.5f pattern ID =%5d'%(dsp,q,int(ypos)),1)
                     else:
-                        G2frame.G2plotNB.status.SetStatusText('2-theta =%9.3f d =%9.5f q = %9.5f Intensity =%9.2f'%(xpos,dsp,q,ypos),1)
+                        if 'PWDR' in plottype:
+                            G2frame.G2plotNB.status.SetStatusText('2-theta =%9.3f d =%9.5f q = %9.5f Intensity =%9.2f'%(xpos,dsp,q,ypos),1)
+                        elif 'SASD' in plottype:
+                            G2frame.G2plotNB.status.SetStatusText('d =%9.5f q = %9.5f Intensity =%12.5g'%(dsp,q,ypos),1)
                 else:       #TOF neutrons
                     dsp = 0.0
@@ -576 +586 @@
                 data = G2frame.PatternTree.GetItemPyData(LimitId)
                 if 'C' in Parms['Type'][0]:                            #CW data - TOF later in an elif
-                    if G2frame.qPlot:                              #qplot - convert back to 2-theta
+                    if G2frame.qPlot and 'PWDR' in plottype:                              #qplot - convert back to 2-theta
                         xy[0] = 2.0*asind(xy[0]*wave/(4*math.pi))
                 if G2frame.ifGetExclude:
@@ -612 +622 @@
             for line in G2frame.Lines: 
                 lines.append(line.get_xdata()[0])
-#            print G2frame.itemPicked.get_xdata()
-            lineNo = lines.index(G2frame.itemPicked.get_xdata()[0])
+            try:
+                lineNo = lines.index(G2frame.itemPicked.get_xdata()[0])
+            except ValueError:
+                lineNo = -1
             if  lineNo in [0,1] or lineNo in exclLines:
                 LimitId = G2gd.GetPatternTreeItemId(G2frame,G2frame.PatternId, 'Limits')
@@ -619 +631 @@
                 id = lineNo/2+1
                 id2 = lineNo%2
-                if G2frame.qPlot:
+                if G2frame.qPlot and 'PWDR' in plottype:
                     if 'C' in Parms['Type'][0]:
                         data[id][id2] = 2.0*asind(wave*xpos/(4*math.pi))
@@ -631 +643 @@
                 if G2frame.PatternTree.GetItemText(G2frame.PickId) == 'Limits':
                     G2pdG.UpdateLimitsGrid(G2frame,data)
-            else:
+            elif lineNo > 1:
                 PeakId = G2gd.GetPatternTreeItemId(G2frame,G2frame.PatternId, 'Peak List')
                 data = G2frame.PatternTree.GetItemPyData(PeakId)
@@ -692 +704 @@
                 Page.Choice = (' key press','l: offset left','r: offset right','d: offset down',
                     'u: offset up','o: reset offset','n: log(I) on','c: contour on',
-                    'q: toggle q plot','s: toggle single plot','+: no selection')
+                    's: toggle single plot','+: no selection')
     Page.keyPress = OnPlotKeyPress
     
@@ -753 +765 @@
         Title = 'log('+Title+')'
     Plot.set_title(Title)
-    if G2frame.qPlot:
+    if G2frame.qPlot or 'SASD' in plottype:
         Plot.set_xlabel(r'$Q, \AA^{-1}$',fontsize=16)
     else:
@@ -795 +807 @@
             for excl in excls:
                 xye[0] = ma.masked_inside(xye[0],excl[0],excl[1])
-        if G2frame.qPlot:
+        if G2frame.qPlot and 'PWDR' in plottype:
             Id = G2gd.GetPatternTreeItemId(G2frame,G2frame.root, Pattern[2])
             if 'C' in Parms['Type'][0]:
@@ -809 +821 @@
         elif 'SASD' in plottype:
             Y = xye[1]*Sample['Scale'][0]+offset*N
-        if LimitId:
+        if LimitId and ifpicked:
             limits = np.array(G2frame.PatternTree.GetItemPyData(LimitId))
-            if G2frame.qPlot:
+            if G2frame.qPlot and 'PWDR' in plottype:
                 if 'C' in Parms['Type'][0]:
                     limits = 4*np.pi*npsind(limits/2.0)/wave