Changeset 1099

Timestamp:

Oct 10, 2013 1:03:26 PM (10 years ago)

Author:

vondreele

Message:

improvements to torsion & Ramachandran plot routines

Location:

trunk

Files:

• GSASIIplot.py (modified) (2 diffs)
• GSASIIrestrGUI.py (modified) (4 diffs)

trunk/GSASIIplot.py

@@ -1859 +1859 @@
         msg = 'atoms:'+names[ind]
         Page.canvas.SetToolTipString(msg)
-    
+        try:
+            page = G2frame.dataDisplay.GetSelection()
+        except:
+            return
+        if G2frame.dataDisplay.GetPageText(page) == 'Torsion restraints':
+            torGrid = G2frame.dataDisplay.GetPage(page).Torsions
+            torGrid.ClearSelection()
+            for row in range(torGrid.GetNumberRows()):
+                if names[ind] in torGrid.GetCellValue(row,0):
+                    torGrid.SelectRow(row)
+            torGrid.ForceRefresh()
+                
     def OnMotion(event):
         if event.xdata and event.ydata:                 #avoid out of frame errors
@@ -1931 +1942 @@
         msg = 'atoms:'+names[ind]
         Page.canvas.SetToolTipString(msg)
+        try:
+            page = G2frame.dataDisplay.GetSelection()
+        except:
+            return
+        if G2frame.dataDisplay.GetPageText(page) == 'Ramachandran restraints':
+            ramaGrid = G2frame.dataDisplay.GetPage(page).Ramas
+            ramaGrid.ClearSelection()
+            for row in range(ramaGrid.GetNumberRows()):
+                if names[ind] in ramaGrid.GetCellValue(row,0):
+                    ramaGrid.SelectRow(row)
+            ramaGrid.ForceRefresh()
 
     def OnMotion(event):

trunk/GSASIIrestrGUI.py

@@ -1397 +1397 @@
                     del torsionList[ibad]
             torsionTable = G2gd.Table(table,rowLabels=rowLabels,colLabels=colLabels,types=Types)
-            Torsions = G2gd.GSGrid(TorsionRestr)
-            Torsions.SetTable(torsionTable, True)
-            Torsions.AutoSizeColumns(False)
+            TorsionRestr.Torsions = G2gd.GSGrid(TorsionRestr)
+            TorsionRestr.Torsions.SetTable(torsionTable, True)
+            TorsionRestr.Torsions.AutoSizeColumns(False)
             for r in range(len(torsionList)):
                 for c in range(5):
-                    Torsions.SetReadOnly(r,c,True)
-                    Torsions.SetCellStyle(r,c,VERY_LIGHT_GREY,True)
-            Torsions.Bind(wg.EVT_GRID_LABEL_LEFT_CLICK,OnRowSelect)
-            Torsions.Bind(wg.EVT_GRID_CELL_CHANGE, OnCellChange)
+                    TorsionRestr.Torsions.SetReadOnly(r,c,True)
+                    TorsionRestr.Torsions.SetCellStyle(r,c,VERY_LIGHT_GREY,True)
+            TorsionRestr.Torsions.Bind(wg.EVT_GRID_LABEL_LEFT_CLICK,OnRowSelect)
+            TorsionRestr.Torsions.Bind(wg.EVT_GRID_CELL_CHANGE, OnCellChange)
             G2frame.dataFrame.Bind(wx.EVT_MENU, OnDeleteRestraint, id=G2gd.wxID_RESTDELETE)
             G2frame.dataFrame.Bind(wx.EVT_MENU, OnChangeEsd, id=G2gd.wxID_RESTCHANGEESD)
@@ -1411 +1411 @@
                 'Torsion restraints: sum(wt*(delt/sig)^2) =    %.2f, mean(wt*(delt/sig)^2) =    %.2f'    \
                 %(chisq,chisq/len(torsionList))),0,wx.ALIGN_CENTER_VERTICAL)
-            mainSizer.Add(Torsions,0,)
+            mainSizer.Add(TorsionRestr.Torsions,0,)
             
             mainSizer.Add((5,5))
@@ -1517 +1517 @@
                     del ramaList[ibad]
             ramaTable = G2gd.Table(table,rowLabels=rowLabels,colLabels=colLabels,types=Types)
-            Ramas = G2gd.GSGrid(RamaRestr)
-            Ramas.SetTable(ramaTable, True)
-            Ramas.AutoSizeColumns(False)
+            RamaRestr.Ramas = G2gd.GSGrid(RamaRestr)
+            RamaRestr.Ramas.SetTable(ramaTable, True)
+            RamaRestr.Ramas.AutoSizeColumns(False)
             for r in range(len(ramaList)):
                 for c in range(6):
-                    Ramas.SetReadOnly(r,c,True)
-                    Ramas.SetCellStyle(r,c,VERY_LIGHT_GREY,True)
-            Ramas.Bind(wg.EVT_GRID_LABEL_LEFT_CLICK,OnRowSelect)
-            Ramas.Bind(wg.EVT_GRID_CELL_CHANGE, OnCellChange)
+                    RamaRestr.Ramas.SetReadOnly(r,c,True)
+                    RamaRestr.Ramas.SetCellStyle(r,c,VERY_LIGHT_GREY,True)
+            RamaRestr.Ramas.Bind(wg.EVT_GRID_LABEL_LEFT_CLICK,OnRowSelect)
+            RamaRestr.Ramas.Bind(wg.EVT_GRID_CELL_CHANGE, OnCellChange)
             G2frame.dataFrame.Bind(wx.EVT_MENU, OnDeleteRestraint, id=G2gd.wxID_RESTDELETE)
             G2frame.dataFrame.Bind(wx.EVT_MENU, OnChangeEsd, id=G2gd.wxID_RESTCHANGEESD)
@@ -1531 +1531 @@
                 'Ramachandran restraints: sum(wt*(delt/sig)^2) =    %.2f, mean(wt*(delt/sig)^2) =    %.2f'    \
                 %(chisq,chisq/len(ramaList))),0,wx.ALIGN_CENTER_VERTICAL)
-            mainSizer.Add(Ramas,0,)
+            mainSizer.Add(RamaRestr.Ramas,0,)
         else:
             mainSizer.Add(wx.StaticText(RamaRestr,-1,'No Ramachandran restraints for this phase'),0,)