Changeset 3503

Timestamp:

Jul 23, 2018 7:31:35 PM (5 years ago)

Author:

vondreele

Message:

add possibility of transforming test cell in Unit cell list

Location:

trunk

Files:

• GSASIIdataGUI.py (modified) (2 diffs)
• GSASIIpwdGUI.py (modified) (3 diffs)

trunk/GSASIIdataGUI.py

@@ -5002 +5002 @@
         # PDR / Unit Cells List
         G2G.Define_wxId('wxID_INDEXPEAKS', 'wxID_REFINECELL', 'wxID_COPYCELL', 'wxID_MAKENEWPHASE',
-            'wxID_EXPORTCELLS','wxID_LOADCELL','wxID_IMPORTCELL')
+            'wxID_EXPORTCELLS','wxID_LOADCELL','wxID_IMPORTCELL','wxID_TRANSPOSECELL')
         self.IndexMenu = wx.MenuBar()
         self.PrefillDataMenu(self.IndexMenu)
@@ -5014 +5014 @@
         self.ImportCell = self.IndexEdit.Append(G2G.wxID_IMPORTCELL,'Import Cell', 
             'Import unit cell from file')
+        self.TransposeCell = self.IndexEdit.Append(G2G.wxID_TRANSPOSECELL,'Transform Cell', 
+            'Transform unit cell')
         self.RefineCell = self.IndexEdit.Append(G2G.wxID_REFINECELL,'Refine Cell',
             'Refine unit cell parameters from indexed peaks')

trunk/GSASIIpwdGUI.py

@@ -47 +47 @@
 import GSASIIplot as G2plt
 import GSASIIdataGUI as G2gd
+import GSASIIphsGUI as G2phsG
 import GSASIIctrlGUI as G2G
 import GSASIIElemGUI as G2elemGUI
@@ -3326 +3327 @@
             SGData['SpnFlp'],False).Show()
         
+    def TransposeUnitCell(event):
+        Trans = np.eye(3)
+        Uvec = np.zeros(3)
+        Vvec = np.zeros(3)
+        ifMag = False
+        Type = 'nuclear'
+        newSpGrp = ''
+        BNSlatt = ''
+        phase = {'General':{'Name':'','Type':Type,'Cell':['',]+controls[6:13],'SGData':SGData}}
+        dlg = G2phsG.TransformDialog(G2frame,phase,Trans,Uvec,Vvec,ifMag,newSpGrp,BNSlatt)
+        try:
+            if dlg.ShowModal() == wx.ID_OK:
+                newPhase,Trans,Uvec,Vvec,ifMag,ifConstr,Common = dlg.GetSelection()
+                sgData = newPhase['General']['SGData']
+                controls[5] = sgData['SGLatt']+sgData['SGLaue']
+                controls[13] = sgData['SpGrp']
+                ssopt['SGData'] = G2spc.SpcGroup(controls[13])[1]
+                controls[6:13] = newPhase['General']['Cell'][1:8]
+            else:
+                return
+        finally:
+            dlg.Destroy()
+        wx.CallAfter(UpdateUnitCellsGrid,G2frame,data)
+        
     G2gd.SetDataMenuBar(G2frame,G2frame.dataWindow.IndexMenu)
     G2frame.Bind(wx.EVT_MENU, OnIndexPeaks, id=G2G.wxID_INDEXPEAKS)
@@ -3331 +3356 @@
     G2frame.Bind(wx.EVT_MENU, LoadUnitCell, id=G2G.wxID_LOADCELL)
     G2frame.Bind(wx.EVT_MENU, ImportUnitCell, id=G2G.wxID_IMPORTCELL)
+    G2frame.Bind(wx.EVT_MENU, TransposeUnitCell, id=G2G.wxID_TRANSPOSECELL)
     G2frame.Bind(wx.EVT_MENU, RefineCell, id=G2G.wxID_REFINECELL)
     G2frame.Bind(wx.EVT_MENU, MakeNewPhase, id=G2G.wxID_MAKENEWPHASE)