Changeset 2809 for trunk/GSASIIgrid.py

Timestamp:

Apr 26, 2017 9:51:43 AM (6 years ago)

Author:

vondreele

Message:

add new transform option for moving atoms from setting #1 --> #2

File:

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

trunk/GSASIIgrid.py

@@ -173 +173 @@
     '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','H->R','R->H','R->O','O->R','abc*',]
+    'P->I','I->P','P->F','F->P','H->R','R->H','R->O','O->R','abc*','setting 1->2']          #don't put any new ones after the setting one!
 
 # Should SGMessageBox, SymOpDialog, DisAglDialog be moved? 
@@ -554 +554 @@
                 self.Phase['General']['SGData'] = SGData
             else:
-                self.Trans = commonTrans[self.Common]
-                if 'R' == self.Common[-1]:
-                    self.newSpGrp += ' r'
-                    SGErr,SGData = G2spc.SpcGroup(self.newSpGrp)
-                    self.Phase['General']['SGData'] = SGData
-                    SGTxt.SetValue(self.newSpGrp)
+                if self.Common == commonNames[-1]:
+                    self.Vec = G2spc.spg2origins[self.oldSpGrp]
+                    self.newSpGrp = self.oldSpGrp
+                else:
+                    self.Trans = commonTrans[self.Common]
+                    if 'R' == self.Common[-1]:
+                        self.newSpGrp += ' r'
+                        SGErr,SGData = G2spc.SpcGroup(self.newSpGrp)
+                        self.Phase['General']['SGData'] = SGData
+                        SGTxt.SetValue(self.newSpGrp)
             OnTest(event)
        
@@ -622 +626 @@
         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,
-            style=wx.CB_READONLY|wx.CB_DROPDOWN)
+        if self.oldSpGrp not in G2spc.spg2origins:
+            common = wx.ComboBox(self.panel,value=self.Common,choices=commonNames[-1],
+                style=wx.CB_READONLY|wx.CB_DROPDOWN)
+        else:
+            common = wx.ComboBox(self.panel,value=self.Common,choices=commonNames,
+                style=wx.CB_READONLY|wx.CB_DROPDOWN)
         common.Bind(wx.EVT_COMBOBOX,OnCommon)
         commonSizer.Add(common,0,WACV)
@@ -697 +705 @@
             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,self.ifMag,self.ifConstr
+        return self.Phase,self.Trans,self.Vec,self.ifMag,self.ifConstr,self.Common
 
     def OnOk(self,event):
@@ -1144 +1152 @@
             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[:-1], #not the last one!
+            common = wx.ComboBox(self.panel,value=self.Common,choices=commonNames[:-2], #not the last two!
                 style=wx.CB_READONLY|wx.CB_DROPDOWN)
             common.Bind(wx.EVT_COMBOBOX,OnCommon)