Changeset 1981 for trunk/GSASIIplot.py

Timestamp:

Sep 29, 2015 3:04:45 PM (8 years ago)

Author:

vondreele

Message:

fixes to modulation plots & 3D & 4D Fourier map processing

File:

• trunk/GSASIIplot.py (modified) (5 diffs)

trunk/GSASIIplot.py

@@ -64 +64 @@
 npatan2d = lambda x,y: 180.*np.arctan2(x,y)/np.pi
 GkDelta = unichr(0x0394)
+Gkrho = unichr(0x03C1)
     
 class G2PlotMpl(wx.Panel):    
@@ -2991 +2992 @@
 
 def ModulationPlot(G2frame,data,atom,ax,off=0):
-    global Off,Atom,Ax
+    global Off,Atom,Ax,Slab,Off
     Off = off
     Atom = atom
     Ax = ax
+    
     def OnMotion(event):
         xpos = event.xdata
         if xpos:                                        #avoid out of frame mouse position
             ypos = event.ydata
+            ix = int(round(xpos*10))
+            iy = int(round((Slab.shape[0]-1)*(ypos+0.5-Off*0.005)))
             Page.canvas.SetCursor(wx.CROSS_CURSOR)
             try:
-                G2frame.G2plotNB.status.SetStatusText('t =%9.3f %s =%9.3f'%(xpos,GkDelta+Ax,ypos),1)                   
+                G2frame.G2plotNB.status.SetStatusText('t =%9.3f %s =%9.3f %s=%9.3f'%(xpos,GkDelta+Ax,ypos,Gkrho,Slab[iy,ix]/8.),1)                   
+#                GSASIIpath.IPyBreak()                  
             except TypeError:
                 G2frame.G2plotNB.status.SetStatusText('Select '+Title+' pattern first',1)
@@ -3046 +3051 @@
     Page.keyPress = OnPlotKeyPress
     Map = General['4DmapData']
-    MapType = Map['MapType']
+    MapType = mapData['MapType']
     rhoSize = np.array(Map['rho'].shape)
     atxyz = np.array(atom[cx:cx+3])
@@ -3067 +3072 @@
                 scof.append(spos[0][:3])
                 ccof.append(spos[0][3:])
-        wave += G2mth.posFourier(tau,np.array(scof),np.array(ccof),1)  #hmm, why -1 work for Na2CO3?
+        wave += G2mth.posFourier(tau,np.array(scof),np.array(ccof),1)
     if mapData['Flip']:
         Title = 'Charge flip'
@@ -3093 +3098 @@
     Plot.set_ylabel(r'$\mathsf{\Delta}$%s'%(Ax))
     Slab = np.hstack((slab,slab,slab))
-    Plot.contour(Slab[:,:21],20,extent=(0.,2.,-.5+Off*.005,.5+Off*.005))
+    acolor = mpl.cm.get_cmap('RdYlGn')
+    if 'delt' in MapType:
+        Plot.contour(Slab[:,:21],20,extent=(0.,2.,-.5+Off*.005,.5+Off*.005),cmap=acolor)
+    else:
+        Plot.contour(Slab[:,:21],20,extent=(0.,2.,-.5+Off*.005,.5+Off*.005))
     Page.canvas.draw()