Ask about LeBail reset only once

Author: briantoby

GSASII/GSASIIdataGUI.py

@@ -5514,8 +5514,6 @@ def OnRefine(self,event):
                 dlg.Destroy()
         else:
             self.ErrorDialog('Refinement error',Rvals['msg'])
-        # if a LeBail fit has been done, no need to ask about reseting intensities again
-        Controls['newLeBail'] = False
 
     def OnLeBail(self,event):
         '''Do a 1 cycle LeBail refinement with no other variables; usually done upon initialization of a LeBail refinement
@@ -7648,7 +7646,6 @@ def UpdateControls(G2frame,data):
         data['Marquardt'] = -3
     if 'newLeBail' not in data:
         data['newLeBail'] = False
-
     #end patch
 
     def SeqSizer():

GSASII/GSASIIstrIO.py

@@ -641,7 +641,7 @@ def GPXBackup(GPXfile,makeBack=True):
             time.sleep(1)           #just wait a second!
     return GPXback
 
-def SetUsedHistogramsAndPhases(GPXfile,Histograms,Phases,RigidBodies,CovData,parmFrozenList,makeBack=True):
+def SaveUsedHistogramsAndPhases(GPXfile,Histograms,Phases,RigidBodies,CovData,parmFrozenList,makeBack=True):
     ''' Updates gpxfile from all histograms that are found in any phase
     and any phase that used a histogram. Also updates rigid body definitions.
     This is used for non-sequential fits, but not for sequential fitting.
@@ -658,8 +658,8 @@ def SetUsedHistogramsAndPhases(GPXfile,Histograms,Phases,RigidBodies,CovData,par
     '''
 
     GPXback = GPXBackup(GPXfile,makeBack)
-    G2fil.G2Print ('Read from file:'+GPXback)
-    G2fil.G2Print ('Save to file  :'+GPXfile)
+    G2fil.G2Print (f'Read from file: {GPXback}')
+    G2fil.G2Print (f'Save to file: {GPXfile}')
     infile = open(GPXback,'rb')
     outfile = open(GPXfile,'wb')
     while True:
@@ -680,6 +680,9 @@ def SetUsedHistogramsAndPhases(GPXfile,Histograms,Phases,RigidBodies,CovData,par
             data[0][1] = RigidBodies
         elif datum[0] == 'Controls':
             Controls = data[0][1]
+            # if a LeBail fit has been done, no need to ask again about
+            # resetting intensities
+            Controls['newLeBail'] = False
             if 'parmFrozen' not in Controls:
                 Controls['parmFrozen'] = {}
             Controls['parmFrozen']['FrozenList'] = [i if type(i) is G2obj.G2VarObj
@@ -836,8 +839,8 @@ def SetSeqResult(GPXfile,Histograms,SeqResult):
     :param str GPXfile: full .gpx file name
     '''
     GPXback = GPXBackup(GPXfile)
-    G2fil.G2Print ('Read from file:'+GPXback)
-    G2fil.G2Print ('Save to file  :'+GPXfile)
+    G2fil.G2Print (f'Read from file: {GPXback}')
+    G2fil.G2Print (f'Save to file: {GPXfile}')
     GPXphase = os.path.splitext(GPXfile)[0]+'.seqPhase'
     fp = open(GPXphase,'rb')
     data = pickleLoad(fp) # first block in file should be Phases

GSASII/GSASIIstrMain.py

@@ -595,7 +595,8 @@ def Refine(GPXfile,dlg=None,makeBack=True,refPlotUpdate=None,newLeBail=False,all
                         )
                     G2fil.G2Print('Note: ',msg)
                     Rvals['msg'] += msg
-            G2stIO.SetUsedHistogramsAndPhases(GPXfile,Histograms,Phases,rigidbodyDict,covData,parmFrozenList,makeBack)
+            # save refinement results into .gpx file
+            G2stIO.SaveUsedHistogramsAndPhases(GPXfile,Histograms,Phases,rigidbodyDict,covData,parmFrozenList,makeBack)
             printFile.close()
             G2fil.G2Print (' Refinement results are in file: '+ospath.splitext(GPXfile)[0]+'.lst')
             G2fil.G2Print (' ***** Refinement successful *****')
@@ -827,7 +828,7 @@ def DoLeBail(GPXfile,dlg=None,cycles=10,refPlotUpdate=None,seqList=None):
             'covMatrix':None,'title':GPXfile,'freshCOV':True}   #np.zeros([0,0])?
           # ??  'newAtomDict':newAtomDict,'newCellDict':newCellDict,
 
-        G2stIO.SetUsedHistogramsAndPhases(GPXfile,Histograms,Phases,rigidbodyDict,covData,[],True)
+        G2stIO.SaveUsedHistogramsAndPhases(GPXfile,Histograms,Phases,rigidbodyDict,covData,[],True)
         G2fil.G2Print (' ***** LeBail fit completed *****')
         return True,Rvals
     except Exception as Msg:

docs/source/objvarorg.rst

@@ -1477,7 +1477,7 @@ be done with the Calculate/"View LS parms" menu window or
   :func:`prmLookup`
   :class:`GSASIIctrlGUI.ShowLSParms`
   :class:`GSASIIctrlGUI.VirtualVarBox`
-  :func:`GSASIIstrIO.SetUsedHistogramsAndPhases`
+  :func:`GSASIIstrIO.SaveUsedHistogramsAndPhases`
   :func:`GSASIIstrIO.SaveUpdatedHistogramsAndPhases`
   :func:`GSASIIstrIO.SetSeqResult`
   :func:`GSASIIstrMain.dropOOBvars`