Changeset 2209

Timestamp:

Apr 12, 2016 3:46:54 PM (6 years ago)

Author:

vondreele

Message:

Add symmetry (inversion thru ccenter!) to transition probability matrix
Add u,d,l,r shifts of multi XY2 patterns in PlotXY

Location:

trunk

Files:

• GSASIIphsGUI.py (modified) (6 diffs)
• GSASIIplot.py (modified) (6 diffs)

trunk/GSASIIphsGUI.py

@@ -2704 +2704 @@
                         transArray[Yi][Xi][0] /= Psum
                 wx.CallAfter(UpdateLayerData)
+                
+            def OnSymProb(event):
+                if symprob.GetValue():
+                    Nx = len(Names)-1
+                    Layers['SymTrans'] = True
+                    for Yi,Yname in enumerate(Names):
+                        for Xi,Xname in enumerate(Names):
+                            if transArray[Nx-Yi][Nx-Xi][0] != transArray[Yi][Xi][0]:
+                                Layers['SymTrans'] = False
+                                symprob.SetValue(False)
+                                wx.MessageBox('%s-%s not equal %s-%s'%(Yname,Xname,Xname,Yname),
+                                    caption='Probability symmetry error',style=wx.ICON_EXCLAMATION)
+                                break
+                else:
+                    Layers['SymTrans'] = False
             
             transSizer = wx.BoxSizer(wx.VERTICAL)
+            transSizer.Add(wx.StaticText(layerData,label=' Layer-Layer transition probabilities: '),0,WACV)
             topSizer = wx.BoxSizer(wx.HORIZONTAL)
-            topSizer.Add(wx.StaticText(layerData,label=' Layer-Layer transition probabilities: '),0,WACV)
             normprob = wx.CheckBox(layerData,label=' Normalize probabilities?')
             normprob.Bind(wx.EVT_CHECKBOX,OnNormProb)
             topSizer.Add(normprob,0,WACV)
+            symprob = wx.CheckBox(layerData,label=' Symmetric probabilities?')
+            symprob.SetValue(Layers.get('SymTrans',False))
+            symprob.Bind(wx.EVT_CHECKBOX,OnSymProb)
+            topSizer.Add(symprob,0,WACV)
             transSizer.Add(topSizer,0,WACV)
             Names = [layer['Name'] for layer in Layers['Layers']]
@@ -2910 +2929 @@
         mainSizer = wx.BoxSizer(wx.VERTICAL)
         topSizer = wx.BoxSizer(wx.VERTICAL)   
-        bottomSizer = wx.BoxSizer(wx.VERTICAL)   
-        topSizer.Add(wx.StaticText(layerData,label=' Global layer description:'),0,WACV)
+        bottomSizer = wx.BoxSizer(wx.VERTICAL)
+        headSizer = wx.BoxSizer(wx.HORIZONTAL)  
+        headSizer.Add(wx.StaticText(layerData,label=' Global layer description:  '),0,WACV)
+        if 'Sadp' in Layers:
+            sadpPlot = wx.CheckBox(layerData,label=' Plot selected area diffraction?')
+            sadpPlot.Bind(wx.EVT_CHECKBOX,OnSadpPlot)
+            headSizer.Add(sadpPlot,0,WACV)
+        if 'seqResults' in Layers:
+            seqPlot = wx.CheckBox(layerData,label=' Plot sequential result?')
+            seqPlot.Bind(wx.EVT_CHECKBOX,OnSeqPlot)
+            headSizer.Add(seqPlot,0,WACV)
+        topSizer.Add(headSizer)
         laueSizer = wx.BoxSizer(wx.HORIZONTAL)
         laueSizer.Add(wx.StaticText(layerData,label=' Diffraction Laue symmetry:'),0,WACV)
@@ -2924 +2953 @@
             toler.Bind(wx.EVT_KILL_FOCUS,OnToler)
             laueSizer.Add(toler,0,WACV)
-        if 'Sadp' in Layers:
-            sadpPlot = wx.CheckBox(layerData,label=' Plot selected area diffraction?')
-            sadpPlot.Bind(wx.EVT_CHECKBOX,OnSadpPlot)
-            laueSizer.Add(sadpPlot,0,WACV)
-        if 'seqResults' in Layers:
-            seqPlot = wx.CheckBox(layerData,label=' Plot sequential result?')
-            seqPlot.Bind(wx.EVT_CHECKBOX,OnSeqPlot)
-            laueSizer.Add(seqPlot,0,WACV)
         topSizer.Add(laueSizer,0,WACV)
         topSizer.Add(wx.StaticText(layerData,label=' Reference unit cell for all layers:'),0,WACV)
@@ -3030 +3051 @@
                 XY = np.vstack((profile[0],rat))
                 G2plt.PlotXY(G2frame,[XY,],XY2=[],labelX=r'$\mathsf{2\theta}$',
-                    labelY='ratio',newPlot=True,Title='DIFFaX vs GSASII',lines=True)
+                    labelY='difference',newPlot=True,Title='DIFFaX vs GSASII',lines=True)
 #            GSASIIpath.IPyBreak()
             G2plt.PlotPatterns(G2frame,plotType='PWDR')
@@ -3051 +3072 @@
         transSel = ['TransP','TransX','TransY','TransZ']
         ctrls = ''
+        cell = data['Layers']['Cell']
         data['Layers']['seqResults'] = []
         data['Layers']['seqCodes'] = []
@@ -3114 +3136 @@
                 iX = int(names[2])
                 Trans = Layers['Transitions'][iY]
+                Nx = len(Trans)-1
                 if not transId:     #i.e. probability
                     osum = 1.-Trans[iX][0]
                     nsum = 1.-val
-                    for i in range(len(Trans)):
+                    for i in range(Nx+1):
                         if i != iX:
                             Trans[i][0] *= (nsum/osum)
-                Trans[iX][transId] = val
-            G2pwd.CalcStackingPWDR(Layers,scale,background,limits,inst,profile)
+                    Trans[iX][0] = val
+                    if Layers.get('SymTrans',False):
+                        Layers['Transitions'][Nx-iX][Nx-iY][0] = val
+                        for i in range(Nx+1):
+                            Layers['Transitions'][Nx-iY][Nx-i][0] = Layers['Transitions'][iY][i][0]
+                else:
+                    Trans[iX][transId] = val
+            G2pwd.CalcStackingPWDR(Layers,scale,background,limits,inst,profile,False)
             resultXY2.append([np.vstack((profile[0],profile[3])),][0])
         data['Layers']['seqResults'] = [resultXY,resultXY2]

trunk/GSASIIplot.py

@@ -2471 +2471 @@
     '''simple plot of xy data, used for diagnostic purposes
     '''
+    def OnKeyPress(event):
+        if event.key == 'u':
+            if Page.Offset[1] < 100.:
+                Page.Offset[1] += 1.
+        elif event.key == 'd':
+            if Page.Offset[1] > 0.:
+                Page.Offset[1] -= 1.
+        elif event.key == 'l':
+            Page.Offset[0] -= 1.
+        elif event.key == 'r':
+            Page.Offset[0] += 1.
+        elif event.key == 'o':
+            Page.Offset = [0,0]
+        else:
+#            print 'no binding for key',event.key
+            #GSASIIpath.IPyBreak()
+            return
+        wx.CallAfter(PlotXY,G2frame,XY,XY2,labelX,labelY,False,Title,False)
+
     def OnMotion(event):
         xpos = event.xdata
@@ -2495 +2514 @@
         plotNum = G2frame.G2plotNB.plotList.index(Title)
         Page = G2frame.G2plotNB.nb.GetPage(plotNum)
+        Page.canvas.mpl_connect('key_press_event', OnKeyPress)
         Page.canvas.mpl_connect('motion_notify_event', OnMotion)
+        Page.Offset = [0,0]
     
-    Page.Choice = None
+    if len(XY2) > 1:
+        Page.Choice = (' key press','l: offset left','r: offset right','d: offset down',
+            'u: offset up','o: reset offset',)
+    else:
+        Page.Choice = None
     G2frame.G2plotNB.RaisePageNoRefresh(Page)
     G2frame.G2plotNB.status.DestroyChildren()
@@ -2510 +2535 @@
         Plot.set_ylabel(r'Y',fontsize=14)
     colors=['b','g','r','c','m','k']
+    Page.keyPress = OnKeyPress
+    Xmax = 0.
+    Ymax = 0.    
     for ixy,xy in enumerate(XY):
         X,Y = XY[ixy]
+        Xmax = max(Xmax,max(X))
+        Ymax = max(Ymax,max(Y))
         if lines:
             Plot.plot(X,Y,colors[ixy%6],picker=False)
@@ -2519 +2549 @@
         for ixy,xy in enumerate(XY2):
             X,Y = XY2[ixy]
-            Plot.plot(X,Y,colors[ixy%6],picker=False)
+            dX = Page.Offset[0]*(ixy+1)*Xmax/500.
+            dY = Page.Offset[1]*(ixy+1)*Ymax/100.
+            Plot.plot(X+dX,Y+dY,colors[ixy%6],picker=False)
     if not newPlot:
         Page.toolbar.push_current()
@@ -6008 +6040 @@
             if il:
                 TX += np.array(Trans[laySeq[il-1]][laySeq[il]][1:4])
+#                TX[0] %= 1.
+#                TX[1] %= 1.
                 XYZ += TX
             AtNames += atNames
@@ -6354 +6388 @@
     Page.camera['backColor'] = np.array([0,0,0,0])
     Page.canvas.SetCurrent()
-    Draw('main')
+    wx.CallAfter(Draw,'main')