Changeset 3949

Timestamp:

May 3, 2019 9:21:07 AM (4 years ago)

Author:

vondreele

Message:

suppress green dot density plotting for 4D maps - they aren't correct because of tau gradient issue. No "fix" possible.

Location:

trunk

Files:

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

trunk/GSASIIphsGUI.py

@@ -6214 +6214 @@
                 slideSizer.Add(magMult,1,wx.EXPAND|wx.RIGHT)
             
-            if generalData['Map']['rhoMax']:
+            if generalData['Map']['rhoMax'] and not generalData.get('4DmapData',{}):
                 contourLevelTxt = wx.StaticText(drawOptions,-1,' Rho maximum: '+'%.2f'%(drawingData['contourLevel']*generalData['Map']['rhoMax']))
                 slideSizer.Add(contourLevelTxt,0,WACV)

trunk/GSASIIplot.py

@@ -7876 +7876 @@
             drawingData['viewPoint'] = [np.array([Tx,Ty,Tz]),pI]
             SetViewPointText(drawingData['viewPoint'][0])            
-            G2frame.G2plotNB.status.SetStatusText('View point at atom '+drawAtoms[pI[0]][ct-1]+str(pI),1)
+            G2frame.G2plotNB.status.SetStatusText('View point at atom '+drawAtoms[pI[0]][ct-1]+str(pI)+str(indx),1)
         elif key in ['U','D','L','R'] and mapData['Flip'] == True:
             dirDict = {'U':[0,1],'D':[0,-1],'L':[-1,0],'R':[1,0]}
@@ -8666 +8666 @@
         rhoXYZ = []
         rho = []
+        FourD = False
         if len(D4mapData.get('rho',[])):        #preferentially select 4D map if there
-            rho = D4mapData['rho'][:,:,:,int(G2frame.tau*10)]   #pick current tau 3D slice
+            FourD = True
+#            rho = D4mapData['rho'][:,:,:,int(G2frame.tau*10)]   #pick current tau 3D slice
         elif len(mapData['rho']):               #ordinary 3D map
             rho = mapData['rho']
@@ -8803 +8805 @@
                 radius = 0.1
                 RenderLines(x,y,z,Bonds,bndColor)
-#                RenderBonds(x,y,z,Bonds,0.05,color,6)
             elif atom[cs] == 'sticks':
                 radius = 0.1
@@ -8839 +8840 @@
                 RenderLabel(x,y,z,'  '+atom[ct-2],radius,wxGreen,matRot)
 #        glDisable(GL_BLEND)
-        if len(rhoXYZ):
+        if not FourD and len(rhoXYZ):       #no green dot map for 4D - it's wrong!
             RenderMap(rho,rhoXYZ,indx,Rok)
         if len(mapPeaks):
@@ -8884 +8885 @@
                     RenderPlane(plane,color)
         if drawingData.get('showSlice',False):
-            FourD = False
             if len(D4mapData.get('rho',[])):        #preferentially select 4D map if there
-                FourD = True
                 modQ = np.array(generalData['SuperVec'][0])
-                rho4D = D4mapData['rho']
+                rho = D4mapData['rho']
             elif len(mapData['rho']):               #ordinary 3D map
                 rho = mapData['rho']
@@ -8907 +8906 @@
             if FourD:
                 SXYZT = np.vstack((SXYZ.T,np.inner(SXYZ,modQ)+G2frame.tau)).T
-                Z = np.reshape(map_coordinates(rho4D,(SXYZT%1.*rho4D.shape).T,order=1,mode='wrap'),(npts,npts))
+                Z = np.reshape(map_coordinates(rho,(SXYZT%1.*rho.shape).T,order=1,mode='wrap'),(npts,npts))
             else:
                 Z = np.reshape(map_coordinates(rho,(SXYZ%1.*rho.shape).T,order=1,mode='wrap'),(npts,npts))