Changeset 2750 for trunk/GSASIIphsGUI.py

Timestamp:

Mar 8, 2017 9:23:16 AM (6 years ago)

Author:

vondreele

Message:

fix issues with adding new phase, forgetting to add atoms to it,
and also having a phase unused in histogram
add 'newLeBail':True to add histogram to phase so reflections get generated
also to copy Data parms (but not selected parms)
fix issue with changing atom type - caused crash in LS refinement

File:

• trunk/GSASIIphsGUI.py (modified) (6 diffs)

trunk/GSASIIphsGUI.py

@@ -835 +835 @@
             pawleySizer.Add(wx.StaticText(General,label=' Pawley controls: '),0,WACV)
             pawlRef = wx.CheckBox(General,-1,label=' Do Pawley refinement?')
-            #ToDo: change parameter to ComboBox of blank, Pawley, LeBail
             pawlRef.SetValue(generalData['doPawley'])
             pawlRef.Bind(wx.EVT_CHECKBOX,OnPawleyRef)
@@ -5557 +5556 @@
             refDict,reflData = G2frame.PatternTree.GetItemPyData(Id)
             UseList[histoName] = {'Histogram':histoName,'Show':False,'Scale':[1.0,True],
-                'Babinet':{'BabA':[0.0,False],'BabU':[0.0,False]},'LeBail':False,
+                'Babinet':{'BabA':[0.0,False],'BabU':[0.0,False]},'LeBail':False,'newLeBail':True,
                 'Extinction':['Lorentzian','None',
                 {'Tbar':0.1,'Cos2TM':0.955,'Eg':[1.e-7,False],'Es':[1.e-7,False],'Ep':[1.e-7,False]},],
@@ -5614 +5613 @@
             copyNames = ['Scale','Extinction','Babinet','Flack','Twins']
         else:  #PWDR  
-            copyNames = ['Scale','Pref.Ori.','Size','Mustrain','HStrain','Extinction','Babinet','LeBail']
+            copyNames = ['Scale','Pref.Ori.','Size','Mustrain','HStrain','Extinction','Babinet','LeBail','newLeBail',]
         copyDict = {}
         for name in copyNames: 
@@ -5681 +5680 @@
                                     UseList[item]['Twins'][0][1][1] = copyDict['Twins']
                                 else:
-                                    UseList[item][name][1] = copy.deepcopy(copyDict[name])
+                                    try:
+                                        UseList[item][name][1] = copy.deepcopy(copyDict[name])
+                                    except KeyError:
+                                        continue
                             elif name in ['Size','Mustrain']:
                                 UseList[item][name][0] = copy.deepcopy(copyDict[name][0])
@@ -5758 +5760 @@
                     for histoName in newList:
                         Id = G2gd.GetPatternTreeItemId(G2frame,G2frame.root,histoName)
-                        UseList[histoName] = {'Histogram':histoName,'Show':False,'LeBail':False,
+                        UseList[histoName] = {'Histogram':histoName,'Show':False,'LeBail':False,'newLeBail':True,
                             'Scale':[1.0,False],'Pref.Ori.':['MD',1.0,False,[0,0,1],0,{},['',],0.1],
                             'Size':['isotropic',[1.,1.,1.],[False,False,False],[0,0,1],
@@ -5993 +5995 @@
                 Obj = event.GetEventObject()
                 RBId = Indx[Obj.GetId()]
-                RBData['Residue'][RBId]['useCount'] -= 1
                 RBObjs = data['RBModels']['Residue']
                 for rbObj in RBObjs:
                     if RBId == rbObj['RBId']:
-                       data['RBModels']['Residue'].remove(rbObj)                 
+                        RBData['Residue'][RBId]['useCount'] -= 1
+                        data['RBModels']['Residue'].remove(rbObj)                 
                 G2plt.PlotStructure(G2frame,data)
                 wx.CallAfter(FillRigidBodyGrid,True)