Changeset 2275

Timestamp:

May 16, 2016 10:18:34 AM (7 years ago)

Author:

vondreele

Message:

add warning for high Levenberg-Marquardt lambda.

Location:

trunk

Files:

• GSASII.py (modified) (3 diffs)
• GSASIImath.py (modified) (1 diff)
• GSASIIstrMain.py (modified) (1 diff)

trunk/GSASII.py

@@ -3662 +3662 @@
                 tabId = self.dataDisplay.GetSelection()
         try:
-            OK,Msg = G2stMn.Refine(self.GSASprojectfile,dlg)
+            OK,Msg = G2stMn.Refine(self.GSASprojectfile,dlg)    #Msg is Rvals dict if Ok=True
         finally:
             dlg.Update(101.) # forces the Auto_Hide; needed after move w/Win & wx3.0
@@ -3668 +3668 @@
             wx.Yield()
         if OK:
-            Rw = Msg
-            dlg2 = wx.MessageDialog(self,'Load new result?','Refinement results, Rw =%.3f'%(Rw),wx.OK|wx.CANCEL)
+            Rw = Msg['Rwp']
+            lamMax = Msg.get('lamMax',0.001)
+            text = 'Load new result?'
+            if lamMax >= 10.:
+                text += '\nWARNING: Steepest descents dominates;'+   \
+                ' minimum may not have been reached\nor result may be false minimum.'+  \
+                ' You should reconsider your parameter suite'
+            dlg2 = wx.MessageDialog(self,text,'Refinement results, Rw =%.3f'%(Rw),wx.OK|wx.CANCEL)
             try:
                 if dlg2.ShowModal() == wx.ID_OK:
@@ -3721 +3727 @@
         dlg.CenterOnParent()
         try:
-            OK,Msg = G2stMn.SeqRefine(self.GSASprojectfile,dlg)
+            OK,Msg = G2stMn.SeqRefine(self.GSASprojectfile,dlg)     #Msg is Rvals dict if Ok=True
         finally:
             dlg.Update(101.) # forces the Auto_Hide; needed after move w/Win & wx3.0

trunk/GSASIImath.py

@@ -158 +158 @@
         if Print:
             print ' Cycle: %d, Time: %.2fs, Chi**2: %.5g, Lambda: %.3g,  Delta: %.3g'%(
-                icycle,time.time()-time0,chisq1,lam,deltaChi2)
+                icycle,time.time()-time0,chisq1,lamMax,deltaChi2)
         if deltaChi2 < ftol:
             ifConverged = True

trunk/GSASIIstrMain.py

@@ -235 +235 @@
         fl.close()
     if dlg:
-        return True,Rvals['Rwp']
+        return True,Rvals
 
 def SeqRefine(GPXfile,dlg):