Changeset 3619

Timestamp:

Sep 25, 2018 11:07:53 AM (5 years ago)

Author:

vondreele

Message:

clear magData when a selection is made
add row select --> mag space group display in magCells table
fix R -3 m spin selection problem

Location:

trunk

Files:

• GSASIIdataGUI.py (modified) (1 diff)
• GSASIIphsGUI.py (modified) (2 diffs)
• GSASIIpwdGUI.py (modified) (2 diffs)
• GSASIIspc.py (modified) (1 diff)

trunk/GSASIIdataGUI.py

@@ -3865 +3865 @@
             'GSAS-II project file (*.gpx)|*.gpx',wx.FD_SAVE|wx.FD_OVERWRITE_PROMPT)
         try:
-            if dlg.ShowModal() == wx.ID_OK:
+            if dlg.ShowModal() == wx.ID_OK:     #TODO: what about Cancel?
                 self.GSASprojectfile = dlg.GetPath()
                 self.GSASprojectfile = G2IO.FileDlgFixExt(dlg,self.GSASprojectfile)

trunk/GSASIIphsGUI.py

@@ -2464 +2464 @@
         PatternId = G2gd.GetGPXtreeItemId(G2frame,G2frame.root,PatternName)
         UnitCellsId = G2gd.GetGPXtreeItemId(G2frame,PatternId, 'Unit Cells List')
-        magData = G2frame.GPXtree.GetItemPyData(UnitCellsId)[5]
+        UCdata = G2frame.GPXtree.GetItemPyData(UnitCellsId)
+        magData = UCdata[5]
         magKeep = []
         magIds = []
@@ -2540 +2541 @@
         G2cnstG.TransConstraints(G2frame,data,newPhase,magchoice['Trans'],vvec,atCodes)     #data is old phase
         G2frame.newGPXfile = phaseName+'.gpx'
+        UCdata[5] = []      #clear away other mag choices from chem phase in new project
+        G2frame.GPXtree.SetItemPyData(UnitCellsId,UCdata)
         G2frame.OnFileSaveas(event)
         G2frame.GPXtree.SelectItem(sub)

trunk/GSASIIpwdGUI.py

@@ -3410 +3410 @@
             G2frame.GPXtree.SetItemPyData(UnitCellsId,data)
             wx.CallAfter(UpdateUnitCellsGrid,G2frame,data)
+        elif c < 0:
+            r = event.GetRow()
+            phase = magcells[r]
+            SGData = phase['SGData']
+            msg = 'Magnetic space group information for '+phase['Name']
+            text,table = G2spc.SGPrint(SGData,AddInv=True)
+            text[0] = ' Magnetic Space Group: '+SGData['MagSpGrp']
+            text[3] = ' The magnetic lattice point group is '+SGData['MagPtGp']
+            OprNames,SpnFlp = G2spc.GenMagOps(SGData)
+            G2G.SGMagSpinBox(G2frame.dataWindow,msg,text,table,SGData['SGCen'],OprNames,
+                SGData['SpnFlp'],False).Show()
         
     def MakeNewPhase(event):
@@ -3903 +3914 @@
             table.append(row)
         MagCellsTable = G2G.Table(table,rowLabels=rowLabels,colLabels=colLabels,types=Types)
-        G2frame.GetStatusBar().SetStatusText('Double click Keep to refresh Keep flags',1)
+        G2frame.GetStatusBar().SetStatusText('Double click Keep to refresh Keep flags, row no. to see sym. ops.',1)
         magDisplay = G2G.GSGrid(G2frame.dataWindow)
         magDisplay.SetTable(MagCellsTable, True)

trunk/GSASIIspc.py

@@ -1233 +1233 @@
         else:
             Spn.append(1)
-    elif len(Flds) == 3:    # 3m & m3; one generator
-        if "'" in mSgSym:   #could be 1 or 2 '; doesn't matter. 
-            Spn.append(-1)
+    elif len(Flds) == 3:    # 3m & m3; 1 or 2 generator
+        if SGData['SGPtGrp'] == '-3m':
+            if not mSgSym.count("'"):
+                Spn += [1,1,]
+            elif mSgSym.count("'") == 2:
+                Spn += [-1,1,]
+            elif "3'" in mSgSym:
+                Spn += [1,-1,]
+            else:
+                Spn += [-1,-1,]
         else:
-            Spn.append(1)
+            if "'" in mSgSym:   #could be 1 or 2 '; doesn't matter. 
+                Spn.append(-1)
+            else:
+                Spn.append(1)
     else:                   #the rest; 3 generators. NB:  any ' before / in 1st field ignored
         for fld in Flds[1:]: