Changeset 2714 for trunk/GSASIIpwdGUI.py

Timestamp:

Feb 18, 2017 8:39:26 AM (6 years ago)

Author:

vondreele

Message:

fix blunder in PDF optimizer

File:

• trunk/GSASIIpwdGUI.py (modified) (7 diffs)

trunk/GSASIIpwdGUI.py

@@ -4649 +4649 @@
                     method='L-BFGS-B',options={'maxiter':maxCycles},tol=0.001)
     else:
-        res = opt.minimize(Min,xstart,bounds=([1,None],[0,1],[0.01,1]),
+        res = opt.minimize(Min,xstart,bounds=([0,None],[0,1],[0.01,1]),
                     method='L-BFGS-B',options={'maxiter':maxCycles},tol=0.001)
     Done(res['x'])
@@ -4699 +4699 @@
         r = xydata['GofR'][1][0]
         g0 = g[r < Data['Rmin']] + 4*np.pi*r[r < Data['Rmin']]*numbDen
-        return sum(g0**2)/len(g0)
+        M = sum(g0**2)/len(g0)
+        return M
     def GetCurrentVals():
         '''Get the current ['Flat Bkg','BackRatio','Ruland'] with scaling
@@ -4708 +4709 @@
             F = data['Flat Bkg']/BkgMax
         except:
-            F = 10
+            F = 0
         return [F,data['BackRatio'],max(10*data['Ruland'],.05)]
     def SetFinalVals(arg):
@@ -4783 +4784 @@
             mulBox.Add(multSpin,0,WACV)
             fileSizer.Add(mulBox,0,WACV)
-            if 'Refine' in item:
+            if 'Refine' in item and item['Name']:
                 refMult = wx.CheckBox(parent=G2frame.dataDisplay,label='Refine?')
                 refMult.SetValue(item['Refine'])
@@ -4916 +4917 @@
             finally:
                 wx.EndBusyCursor()
+            wx.CallAfter(UpdatePDFGrid,G2frame,data)
             OnComputePDF(event)        
-            wx.CallAfter(UpdatePDFGrid,G2frame,data)
                         
         def AfterChangeNoRefresh(invalid,value,tc):
@@ -4925 +4926 @@
         def OnDetType(event):
             data['DetType'] = detType.GetValue()
+            wx.CallAfter(UpdatePDFGrid,G2frame,data)
             wx.CallAfter(OnComputePDF,None)
-            wx.CallAfter(UpdatePDFGrid,G2frame,data)
         
         def OnFlatSpin(event):
@@ -5035 +5036 @@
         sqBox.Add(wx.StaticText(G2frame.dataDisplay,label=' to Qmax '),0,WACV)
         SQmax = G2G.ValidatedTxtCtrl(G2frame.dataDisplay,data['QScaleLim'],1,nDig=(10,3),
-                                     min=qLimits[0],max=qLimits[1],
-                                     typeHint=float,OnLeave=NewQmax)
+            min=qLimits[0],max=qLimits[1],typeHint=float,OnLeave=NewQmax)
         sqBox.Add(SQmax,0,WACV)
         resetQ = wx.Button(G2frame.dataDisplay,label='Reset?',style=wx.BU_EXACTFIT)