Changeset 369 for trunk

Timestamp:

Sep 10, 2011 9:52:32 AM (14 years ago)

Author:

vondreele

Message:

remove wx from GSASIIstruct.py

Location:

trunk

Files:

• GSASII.py (modified) (1 diff)
• GSASIIstruct.py (modified) (3 diffs)

trunk/GSASII.py ¶

@@ -1373 +1373 @@
         self.OnFileSave(event)
         #works - but it'd be better if it could restore plots
-        G2str.Refine(self.GSASprojectfile)
+        dlg = wx.ProgressDialog('Residual','Powder profile Rwp =',101.0, 
+            style = wx.PD_ELAPSED_TIME|wx.PD_AUTO_HIDE|wx.PD_REMAINING_TIME|wx.PD_CAN_ABORT)
+        screenSize = wx.ClientDisplayRect()
+        Size = dlg.GetSize()
+        dlg.SetPosition(wx.Point(screenSize[2]-Size[0]-305,screenSize[1]+5))
+        try:
+            G2str.Refine(self.GSASprojectfile,dlg)
+        finally:
+            dlg.Destroy()        
         dlg = wx.MessageDialog(self,'Load new result?','Refinement results',wx.OK|wx.CANCEL)
         try:

trunk/GSASIIstruct.py ¶

@@ -14 +14 @@
 import time
 import math
-import wx
 import GSASIIpath
 import GSASIIElem as G2el
@@ -1404 +1403 @@
     return dMdv    
                     
-def Refine(GPXfile):
+def Refine(GPXfile,dlg):
     
     def dervRefine(values,HistoPhases,parmdict,varylist,calcControls,pawleyLookup,dlg):
@@ -1498 +1497 @@
         begin = time.time()
         values =  np.array(Dict2Values(parmDict, varyList))
-        dlg = wx.ProgressDialog('Residual','Powder profile Rwp =',101.0, 
-            style = wx.PD_ELAPSED_TIME|wx.PD_AUTO_HIDE|wx.PD_REMAINING_TIME|wx.PD_CAN_ABORT)
-        screenSize = wx.ClientDisplayRect()
-        Size = dlg.GetSize()
-        dlg.SetPosition(wx.Point(screenSize[2]-Size[0]-305,screenSize[1]+5))
         Ftol = Controls['min dM/M']
         Factor = Controls['shift factor']
-        try:
-            if Controls['deriv type'] == 'analytic':
-                result = so.leastsq(errRefine,values,Dfun=dervRefine,full_output=True,
-                    ftol=Ftol,col_deriv=True,factor=Factor,
-                    args=([Histograms,Phases],parmDict,varyList,calcControls,pawleyLookup,dlg))
-                ncyc = int(result[2]['nfev']/2)                
-            else:           #'numeric'
-                result = so.leastsq(errRefine,values,full_output=True,ftol=Ftol,epsfcn=1.e-8,factor=Factor,
-                    args=([Histograms,Phases],parmDict,varyList,calcControls,pawleyLookup,dlg))
-                ncyc = int(result[2]['nfev']/len(varyList))
-        finally:
-            dlg.Destroy()
+        if Controls['deriv type'] == 'analytic':
+            result = so.leastsq(errRefine,values,Dfun=dervRefine,full_output=True,
+                ftol=Ftol,col_deriv=True,factor=Factor,
+                args=([Histograms,Phases],parmDict,varyList,calcControls,pawleyLookup,dlg))
+            ncyc = int(result[2]['nfev']/2)                
+        else:           #'numeric'
+            result = so.leastsq(errRefine,values,full_output=True,ftol=Ftol,epsfcn=1.e-8,factor=Factor,
+                args=([Histograms,Phases],parmDict,varyList,calcControls,pawleyLookup,dlg))
+            ncyc = int(result[2]['nfev']/len(varyList))
         runtime = time.time()-begin
         chisq = np.sum(result[2]['fvec']**2)