Changeset 1623

Timestamp:

Jan 5, 2015 3:32:57 PM (9 years ago)

Author:

vondreele

Message:

remove stray prints
double up modulation plot
set roll of 4D map to match that for 3D map
remove PlotPattern? call after reflection list selection - not needed & crashes for single crystal data
4D charge flipping reproduces J2K modulation maps!

Location:

trunk

Files:

• GSASIIphsGUI.py (modified) (2 diffs)
• GSASIIplot.py (modified) (6 diffs)
• GSASIIpwdGUI.py (modified) (1 diff)

trunk/GSASIIphsGUI.py

@@ -5605 +5605 @@
             pgbar.Destroy()
         mapData.update(newMap)
-        print newMap['rho'].shape,mapData['rho'].shape
         map4DData.update(new4Dmap)
-        print newMap['rho'].shape,mapData['rho'].shape
         mapData['Flip'] = True        
         mapSig = np.std(mapData['rho'])
@@ -5615 +5613 @@
         data['Drawing']['mapSize'] = 10.
         print ' 4D Charge flip map computed: rhomax = %.3f rhomin = %.3f sigma = %.3f'%(np.max(mapData['rho']),np.min(mapData['rho']),mapSig)
-        print mapData['rho'].shape
         if mapData['Rcf'] < 99.:
             OnSearchMaps(event)             #does a plot structure at end

trunk/GSASIIplot.py

@@ -2776 +2776 @@
 def ModulationPlot(G2frame,data,atom,Ax):
     
-    print 'modulation plot for',atom[0]
     try:
         plotNum = G2frame.G2plotNB.plotList.index('Modulation')
@@ -2801 +2800 @@
     ix += (rhoSize[:3]/2)
     ix = ix%rhoSize[:3]
-    print 'roll',ix,atxyz
     rho = np.roll(np.roll(np.roll(Map['rho'],ix[0],axis=0),ix[1],axis=1),ix[2],axis=2)
     ix = rhoSize[:3]/2
-    print 'slab',ix,rhoSize
     ib = 4
     if Ax == 'x':
@@ -2815 +2812 @@
     Plot.set_xlabel('t')
     Plot.set_ylabel(r'$\mathsf{\Delta}$%s'%(Ax))
-    Plot.contour(slab,20,extent=(0.,1.,-.5,.5))
+    Slab = np.concatenate((slab,slab),axis=1)
+    Plot.contour(Slab,20,extent=(0.,2.,-.5,.5))
     Page.canvas.draw()
     
@@ -4153 +4151 @@
             dirDict = {'U':[0,1],'D':[0,-1],'L':[-1,0],'R':[1,0]}
             SetMapRoll(dirDict[key])
+            if 'rho' in generalData.get('4DmapData',{}):
+                Set4DMapRoll(dirDict[key])
             SetPeakRoll(dirDict[key])
             SetMapPeaksText(mapPeaks)
@@ -4345 +4345 @@
         glLightfv(GL_LIGHT0,GL_DIFFUSE,[1,1,1,1])
         
-    def GetRoll(newxy,rho):
+    def GetRoll(newxy,rhoshape):
         Q = drawingData['Quaternion']
         dxy = G2mth.prodQVQ(G2mth.invQ(Q),np.inner(Bmat,newxy+[0,]))
-        dxy = np.array(dxy*rho.shape)        
+        dxy = np.array(dxy*rhoshape)        
         roll = np.where(dxy>0.5,1,np.where(dxy<-.5,-1,0))
         return roll
@@ -4354 +4354 @@
     def SetMapRoll(newxy):
         rho = mapData['rho']
-        roll = GetRoll(newxy,rho)
+        roll = GetRoll(newxy,rho.shape)
         mapData['rho'] = np.roll(np.roll(np.roll(rho,roll[0],axis=0),roll[1],axis=1),roll[2],axis=2)
         drawingData['oldxy'] = list(newxy)
         
+    def Set4DMapRoll(newxy):
+        rho = generalData['4DmapData']['rho']
+        roll = GetRoll(newxy,rho.shape[:3])
+        generalData['4DmapData']['rho'] = np.roll(np.roll(np.roll(rho,roll[0],axis=0),roll[1],axis=1),roll[2],axis=2)
+        
     def SetPeakRoll(newxy):
         rho = mapData['rho']
-        roll = GetRoll(newxy,rho)
+        roll = GetRoll(newxy,rho.shape)
         steps = 1./np.array(rho.shape)
         dxy = roll*steps

trunk/GSASIIpwdGUI.py

@@ -2970 +2970 @@
             print phases
             raise Exception("how did we not find a phase name?")
-        G2plt.PlotPatterns(G2frame) # replot, to activate phase's reflection tooltips
         
     def OnPageChanged(event):