Changeset 1016

Timestamp:

Aug 4, 2013 9:35:54 PM (8 years ago)

Author:

vondreele

Message:

remove PawleyDelete? - not used
fix floating point error in vcov matrix processing

Location:

trunk

Files:

• Exercises/kryptonite/kryptonite.gpx (modified) (previous)
• GSASIIgrid.py (modified) (2 diffs)
• GSASIIphsGUI.py (modified) (3 diffs)
• GSASIIstrMain.py (modified) (1 diff)

trunk/GSASIIgrid.py

@@ -87 +87 @@
 ] = [wx.NewId() for item in range(2)]
 
-[ wxID_PAWLEYLOAD, wxID_PAWLEYDELETE, wxID_PAWLEYESTIMATE,
-    wxID_PAWLEYUPDATE,
-] = [wx.NewId() for item in range(4)]
+[ wxID_PAWLEYLOAD, wxID_PAWLEYESTIMATE, wxID_PAWLEYUPDATE,
+] = [wx.NewId() for item in range(3)]
 
 [ wxID_IMCALIBRATE,wxID_IMRECALIBRATE,wxID_IMINTEGRATE, wxID_IMCLEARCALIB,  
@@ -2031 +2030 @@
         self.PawleyEdit.Append(id=wxID_PAWLEYUPDATE, kind=wx.ITEM_NORMAL,text='Pawley update',
             help='Update negative Pawley intensities with -0.5*Fobs and turn off refinemnt')
-#        self.PawleyEdit.Append(id=wxID_PAWLEYDELETE, kind=wx.ITEM_NORMAL,text='Pawley delete',
-#            help='Delete selected Pawley reflection')
         self.PostfillDataMenu()
             

trunk/GSASIIphsGUI.py

@@ -4606 +4606 @@
             for iref,ref in enumerate(Refs):
                 try:
-                    if refData[iref][9] < 0.:
-                        ref[6] = abs(refData[iref][9])*mult
+                    if ref[6] < 0.:
+                        ref[6] *= -mult
                         refData[iref][8] *= -mult
                         refData[iref][9] *= -mult
@@ -4613 +4613 @@
                         ref[7] = 1.0
                 except IndexError:
+                    print 'skipped',ref
                     pass
         finally:
             wx.EndBusyCursor()
-        FillPawleyReflectionsGrid()
+        wx.CallAfter(FillPawleyReflectionsGrid)
                             
-    def OnPawleyDelete(event):          #doesn't work
-        dlg = wx.MessageDialog(G2frame,'Do you really want to delete selected Pawley reflections?','Delete', 
-            wx.YES_NO | wx.ICON_QUESTION)
-        try:
-            result = dlg.ShowModal()
-            if result == wx.ID_YES: 
-                Refs = data['Pawley ref']
-                Ind = G2frame.PawleyRefl.GetSelectedRows()
-                Ind.sort()
-                Ind.reverse()
-                for ind in Ind:
-                    Refs = np.delete(Refs,ind,0)
-                data['Pawley ref'] = Refs
-                FillPawleyReflectionsGrid()
-        finally:
-            dlg.Destroy()
-
 ################################################################################
 ##### Fourier routines
@@ -5086 +5070 @@
             G2frame.dataFrame.Bind(wx.EVT_MENU, OnPawleyEstimate, id=G2gd.wxID_PAWLEYESTIMATE)
             G2frame.dataFrame.Bind(wx.EVT_MENU, OnPawleyUpdate, id=G2gd.wxID_PAWLEYUPDATE)
-            G2frame.dataFrame.Bind(wx.EVT_MENU, OnPawleyDelete, id=G2gd.wxID_PAWLEYDELETE)            
             FillPawleyReflectionsGrid()
         else:

trunk/GSASIIstrMain.py

@@ -149 +149 @@
 #            for item in table: print item,table[item]               #useful debug - are things shifting?
             break                   #refinement succeeded - finish up!
-        except TypeError:          #result[1] is None on singular matrix
+        except TypeError,FloatingPointError:          #result[1] is None on singular matrix
             print '**** Refinement failed - singular matrix ****'
             if 'Hessian' in Controls['deriv type']: