Changeset 758

Timestamp:

Sep 16, 2012 3:16:27 AM (11 years ago)

Author:

vondreele

Message:

fix in sph. harm. for hex/rhom/trig
fix for view dir in plots
remove a few extra Draw() in structure plotting

Location:

trunk

Files:

• GSASIIlattice.py (modified) (1 diff)
• GSASIIphsGUI.py (modified) (2 diffs)
• GSASIIplot.py (modified) (4 diffs)

trunk/GSASIIlattice.py

@@ -1014 +1014 @@
         if SGLaue in ['mmm','4/mmm','6/mmm','R3mR','3m1','31m']:
             if SGLaue in ['3mR','3m1','31m']: 
-                if n%6 == 3:
+                if N%6 == 3:
                     Kcl = pcrs*sind(N*beta)
                 else:

trunk/GSASIIphsGUI.py

@@ -1566 +1566 @@
             'vdwScale':0.67,'ellipseProb':50,'sizeH':0.50,'unitCellBox':False,
             'showABC':True,'selectedAtoms':[],'Atoms':[],'oldxy':[],
-            'bondList':{},'viewDir':[0,0,1]}
-        defaultDrawing['Quaternion'] = G2mth.AV2Q(2*np.pi,np.inner(Amat,[0,0,1]))
+            'bondList':{},'viewDir':[1,0,0]}
+        V0 = np.array([0,0,1])
+        V = np.inner(Amat,V0)
+        V /= np.sqrt(np.sum(V**2))
+        A = np.arccos(np.sum(V*V0))
+        defaultDrawing['Quaternion'] = G2mth.AV2Q(A,[0,1,0])
         try:
             drawingData = data['Drawing']
@@ -1843 +1847 @@
                         drawAtoms.SetAttr(i,cs+2,attr)
                     dlg.Destroy()
-#                    event.StopPropagation()
                     UpdateDrawAtoms()
             G2plt.PlotStructure(G2frame,data)

trunk/GSASIIplot.py

@@ -2358 +2358 @@
     def OnKeyBox(event):
         import Image
-        Draw()                          #make sure plot is fresh!!
+#        Draw()                          #make sure plot is fresh!!
         mode = cb.GetValue()
         if mode in ['jpeg','bmp','tiff',]:
@@ -2380 +2380 @@
 
     def OnKey(event):           #on key UP!!
-        Draw()                          #make sure plot is fresh!!
+#        Draw()                          #make sure plot is fresh!!
         try:
             keyCode = event.GetKeyCode()
@@ -2391 +2391 @@
         if key in ['C']:
             drawingData['viewPoint'] = [[.5,.5,.5],[0,0]]
-            drawingData['viewDir'] = [0.,0.,1]
+            drawingData['viewDir'] = [0,0,1]
             drawingData['oldxy'] = []
-            drawingData['Quaternion'] = [0.0,0.0,1.0,0.0]
+            V0 = np.array([0,0,1])
+            V = np.inner(Amat,V0)
+            V /= np.sqrt(np.sum(V**2))
+            A = np.arccos(np.sum(V*V0))
+            Q = G2mth.AV2Q(A,[0,1,0])
+            drawingData['Quaternion'] = Q
             SetViewPointText(drawingData['viewPoint'][0])
             SetViewDirText(drawingData['viewDir'])
@@ -2485 +2490 @@
         else:
             drawingData['oldxy'] = list(xy)
-        Draw()
+#        Draw()
         
     def OnMouseMove(event):