Changeset 2211

Timestamp:

Apr 13, 2016 3:16:53 PM (7 years ago)

Author:

vondreele

Message:

some work on Transform Phase menu item.
uncomment the if Page.context lines in OGL plots to make multistructure plots behave.
Trap trying to plot reflections when none available.

Location:

trunk

Files:

• GSASIIgrid.py (modified) (5 diffs)
• GSASIIphsGUI.py (modified) (1 diff)
• GSASIIplot.py (modified) (6 diffs)
• GSASIIpwdGUI.py (modified) (2 diffs)

trunk/GSASIIgrid.py

@@ -165 +165 @@
     'P->F':np.array([[-1,1,1],[1,-1,1],[1,1,-1]]),'F->P':np.array([[0,.5,.5],[.5,0,.5],[.5,.5,0]]),   
     'P->I':np.array([[0,1,1],[1,0,1],[1,1,0]]),'I->P':np.array([[-.5,.5,.5],[.5,-.5,.5],[.5,.5,-.5]]),    
-    'A->P':np.array([[-1,0,0],[0,-.5,.5],[0,.5,.5]]),'O->R':np.array([[-1,0,0],[0,-1,0],[0,0,1]]), }
-commonNames = ['abc','bca','cab','a-cb','ba-c','-cba','P->A','A->P',
-    'P->B','B->P','P->C','C->P','P->I','I->P','P->F','F->P','P->R','R->P','R->O','O->R']
+    'A->P':np.array([[-1,0,0],[0,-.5,.5],[0,.5,.5]]),'O->R':np.array([[-1,0,0],[0,-1,0],[0,0,1]]), 
+    'abc*':np.eye(3), }
+commonNames = ['abc','bca','cab','a-cb','ba-c','-cba','P->A','A->P','P->B','B->P','P->C','C->P',
+    'P->I','I->P','P->F','F->P','P->R','R->P','R->O','O->R','abc*',]
 
 # Should SGMessageBox, SymOpDialog, DisAglDialog be moved? 
@@ -372 +373 @@
             for fld in Flds: fld = fld.strip()
             SpcGp = ' '.join(Flds)
+            if SpcGp == self.SpGrp: #didn't change it!
+                return
             # try a lookup on the user-supplied name
             SpGrpNorm = G2spc.StandardizeSpcName(SpcGp)
@@ -388 +391 @@
                 text,table = G2spc.SGPrint(SGData)
                 self.Phase['General']['SGData'] = SGData
-                self.SpGrp = SpGrp
+                self.SpGrp = SpcGp
                 SGTxt.SetValue(self.Phase['General']['SGData']['SpGrp'])
                 msg = 'Space Group Information'
@@ -478 +481 @@
         
     def GetSelection(self):
-        self.Phase['General']['Name'] += ' %s'%(self.SpGrp)
+        self.Phase['General']['Name'] += ' %s'%(self.Common)
         self.Phase['General']['Cell'][1:] = G2lat.TransformCell(self.oldCell[:6],self.Trans)            
         return self.Phase,self.Trans,self.Vec
@@ -703 +706 @@
             commonSizer = wx.BoxSizer(wx.HORIZONTAL)
             commonSizer.Add(wx.StaticText(self.panel,label=' Common transformations: '),0,WACV)
-            common = wx.ComboBox(self.panel,value=self.Common,choices=commonNames,
+            common = wx.ComboBox(self.panel,value=self.Common,choices=commonNames[:-1], #not the last one!
                 style=wx.CB_READONLY|wx.CB_DROPDOWN)
             common.Bind(wx.EVT_COMBOBOX,OnCommon)

trunk/GSASIIphsGUI.py

@@ -1227 +1227 @@
             dlg.Destroy()
         phaseName = newPhase['General']['Name']
+        print phaseName
         sub = G2frame.PatternTree.AppendItem(parent=
-            G2gd.GetPatternTreeItemId(G2frame,G2frame.root,'Phases'),text=PhaseName)
+            G2gd.GetPatternTreeItemId(G2frame,G2frame.root,'Phases'),text=phaseName)
         G2frame.PatternTree.SetItemPyData(sub,newPhase)
 

trunk/GSASIIplot.py

@@ -1113 +1113 @@
         RenderDots(HKL,RC)
         time0 = time.time()
-#        if Page.context: Page.canvas.SetCurrent(Page.context)    # wx 2.9 fix
+        if Page.context: Page.canvas.SetCurrent(Page.context)    # wx 2.9 fix
         Page.canvas.SwapBuffers()
 
@@ -4960 +4960 @@
                     G2frame.G2plotNB.status.SetStatusText('New quaternion: %.2f+, %.2fi+ ,%.2fj+, %.2fk'%(Q[0],Q[1],Q[2],Q[3]),1)
                 Draw('move')
-            
         
     def OnMouseWheel(event):
@@ -5657 +5656 @@
                 RenderBackbone(Backbone,BackboneColor,bondR)
 #        print time.time()-time0
-#        if Page.context: Page.canvas.SetCurrent(Page.context)    # wx 2.9 fix
+        if Page.context: Page.canvas.SetCurrent(Page.context)    # wx 2.9 fix
         Page.canvas.SwapBuffers()
         
@@ -5712 +5711 @@
     except:
         pass
-    Draw('main')
+    wx.CallAfter(Draw,'main')
     if firstCall: Draw('main') # draw twice the first time that graphics are displayed
 
@@ -5964 +5963 @@
             RenderBonds(x,y,z,Bonds[iat],0.05,color)
             RenderLabel(x,y,z,'  '+atNames[iat],matRot)
-#        if Page.context: Page.canvas.SetCurrent(Page.context)    # wx 2.9 fix
+        if Page.context: Page.canvas.SetCurrent(Page.context)    # wx 2.9 fix
         Page.canvas.SwapBuffers()
 
@@ -6350 +6349 @@
             if Page.labels:
                 RenderLabel(x,y,z,'  '+AtNames[iat],matRot)
-#        if Page.context: Page.canvas.SetCurrent(Page.context)    # wx 2.9 fix
+        if Page.context: Page.canvas.SetCurrent(Page.context)    # wx 2.9 fix
         Page.canvas.SwapBuffers()
 

trunk/GSASIIpwdGUI.py

@@ -3209 +3209 @@
             refList = data[1]['RefList']
         else:                           #powder data is a dict of dicts; each same structure as SC 2nd dict
-            refList = np.array(data[phaseName]['RefList'])
+            if 'RefList' in data[phaseName]:
+                refList = np.array(data[phaseName]['RefList'])
+            else:
+                wx.MessageBox('No reflection list - do Refine first',caption='Reflection plotting')
+                return
         FoMax = np.max(refList.T[8+Super])
         Hmin = np.array([int(np.min(refList.T[0])),int(np.min(refList.T[1])),int(np.min(refList.T[2]))])
@@ -3233 +3237 @@
             refList = data[1]['RefList']
         else:                           #powder data is a dict of dicts; each same structure as SC 2nd dict
-            refList = np.array(data[phaseName]['RefList'])
+            if 'RefList' in data[phaseName]:
+                refList = np.array(data[phaseName]['RefList'])
+            else:
+                wx.MessageBox('No reflection list - do Refine first',caption='Reflection plotting')
+                return
         refList.T[3+Super] = np.where(refList.T[4+Super]<dMin,-refList.T[3+Super],refList.T[3+Super])
         FoMax = np.max(refList.T[8+Super])