Changeset 3356

Timestamp:

Apr 24, 2018 2:34:13 PM (5 years ago)

Author:

vondreele

Message:

remove commented out SetTitle? & SetLabel? for data window from various places. Title is now gpx file name.
reconfigure restraints to show phase name subentries in tree - selection done from tree.
import phase, add phase & delete phase all handle restraints in new scheme
use of restraints unaffected as restraint data layout unchanged

Location:

trunk

Files:

• GSASIIconstrGUI.py (modified) (2 diffs)
• GSASIIdataGUI.py (modified) (21 diffs)
• GSASIIphsGUI.py (modified) (2 diffs)
• GSASIIplot.py (modified) (2 diffs)
• GSASIIpwdGUI.py (modified) (10 diffs)
• GSASIIrestrGUI.py (modified) (5 diffs)

trunk/GSASIIconstrGUI.py

@@ -1122 +1122 @@
         
     G2gd.SetDataMenuBar(G2frame,G2frame.dataWindow.ConstraintMenu)
-    #G2frame.SetLabel(G2frame.GetLabel().split('||')[0]+' || '+'Constraints')
-    #G2frame.SetTitle('Constraints')
     SetStatusLine('')
     
@@ -2145 +2143 @@
 
     G2gd.SetDataMenuBar(G2frame,G2frame.dataWindow.RigidBodyMenu)
-    #G2frame.SetTitle('Rigid bodies')
     SetStatusLine('')
     UpdateVectorRB()

trunk/GSASIIdataGUI.py

@@ -885 +885 @@
             psub = self.GPXtree.AppendItem(parent=sub,text=PhaseName)
             self.GPXtree.SetItemPyData(psub,rd.Phase)
+            wx.CallAfter(self.GPXtree.SelectItem,psub) # should call SelectDataTreeItem
+#            self.GPXtree.SelectItem(psub)
             try:
                 rd.MPhase['General']['Name'] = G2obj.MakeUniqueLabel(PhaseName+' mag',phaseNameList)
@@ -891 +893 @@
                 psub = self.GPXtree.AppendItem(parent=sub,text=PhaseName)
                 self.GPXtree.SetItemPyData(psub,rd.MPhase)
+#                self.GPXtree.SelectItem(psub)
+                wx.CallAfter(self.GPXtree.SelectItem,psub) # should call SelectDataTreeItem
             except (AttributeError,TypeError):
                 pass
@@ -897 +901 @@
             self.GPXtree.Expand(psub)
             self.PickIdText = None
-            wx.CallAfter(self.GPXtree.SelectItem,psub) # should call SelectDataTreeItem
-            #wx.CallAfter(SelectDataTreeItem,self,psub) #bring up new phase General tab
 
             if rd.Constraints:
@@ -2894 +2896 @@
                 if item.IsOk(): self.GPXtree.SelectItem(item)
                     
-#     def SetTitle(self,text,location=0):
-#         '''Override the standard method with a call that puts text into
-#         either the top box on the tree or the label on the frame.
-
-#         :param str text: text to be displayed
-#         :param int location: if 0 (default) labels go into the the Frame;
-#           if 1, labels go into the G2frame.treeTitle control, which is above the
-#           data Tree.
-#         '''
-#         if location == 1:
-# #            self.treeTitle.SetLabel(text)
-#             pass
-#         elif not location:
-#             wx.Frame.SetTitle(self,text)
-#         else:
-#             print(u'unexpected SetTitle option: '+str(location)+", "+
-#                   text)     
-#     def SetLabel(self,text,location=0):
-#         'implement unfortunate synonym. with luck no longer used'
-#         self.SetTitle(text,location=0)
-
     def OnColMetaTest(self,event):
         'Test the .par/.*lbls pair for contents'
@@ -3422 +3403 @@
             PhaseName = dlg.GetValue()
         dlg.Destroy()
+        if not GetGPXtreeItemId(self,self.root,'Restraints'):
+            subr = self.GPXtree.AppendItem(parent=self.root,text='Restraints')
+            self.GPXtree.SetItemPyData(subr,{PhaseName:{}})
+        else:
+            subr = GetGPXtreeItemId(self,self.root,'Restraints')
+            self.GPXtree.GetItemPyData(subr).update({PhaseName:{}})
+        self.GPXtree.AppendItem(parent=subr,text=PhaseName)
         sub = self.GPXtree.AppendItem(parent=sub,text=PhaseName)
         E,SGData = G2spc.SpcGroup('P 1')
@@ -3439 +3427 @@
         else:
             return
+        if GetGPXtreeItemId(self,self.root,'Restraints'):
+            subr = GetGPXtreeItemId(self,self.root,'Restraints')
+        else:
+            subr = 0
         if sub:
             item, cookie = self.GPXtree.GetFirstChild(sub)
@@ -3469 +3461 @@
                                     if item in refList:
                                         del(refList[item])
-#                            self.GPXtree.SetItemPyData(Id,refList)
                         elif 'HKLF' in name:
                             data = self.GPXtree.GetItemPyData(item)
                             data[0] = {}
-#                            self.GPXtree.SetItemPyData(item,data)
                             
                         item, cookie = self.GPXtree.GetNextChild(self.root, cookie)
             finally:
                 dlg.Destroy()
+        if subr:        #remove restraints for deleted phase
+            DelList = [itm[1] for itm in DelList]
+            item, cookie = self.GPXtree.GetFirstChild(subr)
+            while item:
+                name = self.GPXtree.GetItemText(item)
+                if name in DelList:
+                    self.GPXtree.Delete(item)
+                item, cookie = self.GPXtree.GetNextChild(subr, cookie)                
                 
     def OnRenameData(self,event):
@@ -4717 +4715 @@
 
         # Restraints
-        G2G.Define_wxId('wxID_RESTRAINTADD', 'wxID_RESTSELPHASE', 'wxID_RESTDELETE', 'wxID_RESRCHANGEVAL',
+        G2G.Define_wxId('wxID_RESTRAINTADD', 'wxID_RESTDELETE', 'wxID_RESRCHANGEVAL',
             'wxID_RESTCHANGEESD', 'wxID_AARESTRAINTADD', 'wxID_AARESTRAINTPLOT',)
         self.RestraintTab = wx.Menu(title='')
         self.RestraintEdit = wx.Menu(title='')
-        self.RestraintEdit.Append(G2G.wxID_RESTSELPHASE,'Select phase','Select phase')
         self.RestraintEdit.Append(G2G.wxID_RESTRAINTADD,'Add restraints','Add restraints')
         self.RestraintEdit.Enable(G2G.wxID_RESTRAINTADD,True)    #gets disabled if macromolecule phase
@@ -5401 +5398 @@
             text.AppendText('\n')
                     
-    #G2frame.SetLabel(G2frame.GetLabel().split('||')[0]+' || '+'Notebook')
-    #G2frame.SetTitle('Notebook')
     text = wx.TextCtrl(G2frame.dataWindow,wx.ID_ANY,
             style=wx.TE_MULTILINE|wx.TE_PROCESS_ENTER | wx.TE_DONTWRAP)
@@ -5419 +5414 @@
 def UpdateComments(G2frame,data):                   
 
-    #G2frame.SetLabel(G2frame.GetLabel().split('||')[0]+' || '+'Comments')
-    #G2frame.SetTitle('Comments')
     lines = ""
     for line in data:
@@ -5624 +5617 @@
         G2frame.GetStatusBar().SetStatusText('',1)
     G2frame.dataWindow.ClearData()
-    #G2frame.dataWindow.SetupScrolling()
-    #G2frame.SetLabel(G2frame.GetLabel().split('||')[0]+' || '+'Controls')
-    #G2frame.SetTitle('Controls')
     SetDataMenuBar(G2frame,G2frame.dataWindow.ControlsMenu)
     mainSizer = wx.BoxSizer(wx.VERTICAL)
@@ -6653 +6643 @@
 
     SetDataMenuBar(G2frame,G2frame.dataWindow.SequentialMenu)
-    #G2frame.dataWindow.SetLabel(G2frame.GetLabel().split('||')[0]+' || '+'Sequential refinement results')
-    #G2frame.SetTitle('Sequential refinement results')
     G2frame.Bind(wx.EVT_MENU, OnSelectUse, id=G2G.wxID_SELECTUSE)
     G2frame.Bind(wx.EVT_MENU, OnRenameSelSeq, id=G2G.wxID_RENAMESEQSEL)
@@ -7278 +7266 @@
     # Start of UpdatePWHKPlot
     data = G2frame.GPXtree.GetItemPyData(item)
-    #G2frame.SetLabel(G2frame.GetLabel().split('||')[0]+' || '+G2frame.GPXtree.GetItemText(item))
-    #G2frame.SetTitle(G2frame.GPXtree.GetItemText(item))
 #patches
     if not data:
@@ -7314 +7300 @@
     wtSizer = wx.BoxSizer(wx.HORIZONTAL)
     wtSizer.Add(wx.StaticText(G2frame.dataWindow,-1,' Weight factor: '),0,WACV)
-    wtval = G2G.ValidatedTxtCtrl(G2frame.dataWindow,data[0],'wtFactor',nDig=(10,3),min=1.e-9)
-    wtSizer.Add(wtval,0,WACV)
+    wtSizer.Add(G2G.ValidatedTxtCtrl(G2frame.dataWindow,data[0],'wtFactor',nDig=(10,3),min=1.e-9),0,WACV)
 #    if kind == 'PWDR':         #possible future compression feature; NB above patch as well
 #        wtSizer.Add(wx.StaticText(G2frame.dataWindow,-1,' Compression factor: '),0,WACV)
@@ -7328 +7313 @@
     wtSizer.Add(wx.StaticText(G2frame.dataWindow,-1,' Histogram label: '),0,WACV)
     if 'histTitle' not in data[0]: data[0]['histTitle'] = ''
-    wtval = G2G.ValidatedTxtCtrl(G2frame.dataWindow,data[0],'histTitle',typeHint=str,notBlank=False,
-                                 size=(300,-1))
-    wtSizer.Add(wtval,1,WACV)
-    mainSizer.Add(wtSizer,0,WACV|wx.EXPAND,1)
+    wtSizer.Add(G2G.ValidatedTxtCtrl(G2frame.dataWindow,data[0],'histTitle',typeHint=str,
+        notBlank=False,size=(300,-1)),1,WACV)
+    mainSizer.Add(wtSizer,0,WACV)
     if data[0].get('Dummy',False):
         simSizer = wx.BoxSizer(wx.HORIZONTAL)
@@ -7633 +7617 @@
             data = G2frame.GPXtree.GetItemPyData(item)
             G2cnstG.UpdateRigidBodies(G2frame,data)
-        elif G2frame.GPXtree.GetItemText(item) == 'Restraints':
-            data = G2frame.GPXtree.GetItemPyData(item)
-            Phases = G2frame.GetPhaseData()
-            phaseName = ''
-            if Phases:
-                phaseName = list(Phases.keys())[0]
-            G2restG.UpdateRestraints(G2frame,data,Phases,phaseName)
         elif G2frame.GPXtree.GetItemText(item).startswith('IMG '):
             G2frame.Image = item
-            #G2frame.SetTitle('Image Data')
             data = G2frame.GPXtree.GetItemPyData(GetGPXtreeItemId(
                 G2frame,item,'Image Controls'))
@@ -7678 +7654 @@
             G2frame.dataWindow.GetSizer().Add(
                 wx.StaticText(G2frame.dataWindow,wx.ID_ANY,'Select one phase to see its parameters'))
+        elif G2frame.GPXtree.GetItemText(item) == 'Restraints':
+            data = G2frame.GPXtree.GetItemPyData(item)
+#patch - put phases in restraint tree
+            names = G2frame.GetPhaseNames()
+            for name in names:
+                if not GetGPXtreeItemId(G2frame,item,name):
+                    G2frame.GPXtree.AppendItem(parent=item,text=name)
+                if name not in data:
+                    data[name] = {}
+#end patch            
+            G2frame.dataWindow.GetSizer().Add(
+                wx.StaticText(G2frame.dataWindow,wx.ID_ANY,'Select one phase to see its restraints'))
     ############################################################################
     # process second-level entries in tree            
@@ -7701 +7689 @@
         data = G2frame.GPXtree.GetItemPyData(item)
         G2phG.UpdatePhaseData(G2frame,item,data)
+    elif G2frame.GPXtree.GetItemText(parentID) == 'Restraints':
+        data = G2frame.GPXtree.GetItemPyData(parentID)
+        phaseName = G2frame.GPXtree.GetItemText(item)
+        if phaseName not in data:
+            data[phaseName] = {}
+        G2restG.UpdateRestraints(G2frame,data[phaseName],phaseName)
     elif G2frame.GPXtree.GetItemText(item) == 'Comments':
         SetDataMenuBar(G2frame,G2frame.dataWindow.DataCommentsMenu)
@@ -7707 +7701 @@
         UpdateComments(G2frame,data)
     elif G2frame.GPXtree.GetItemText(item) == 'Image Controls':
-        #G2frame.SetTitle('Image Controls')
         G2frame.Image = G2frame.GPXtree.GetItemParent(item)
         masks = G2frame.GPXtree.GetItemPyData(
@@ -7716 +7709 @@
         G2plt.PlotImage(G2frame,newPlot=False)
     elif G2frame.GPXtree.GetItemText(item) == 'Masks':
-        #G2frame.SetTitle('Masks')
         G2frame.Image = G2frame.GPXtree.GetItemParent(item)
         masks = G2frame.GPXtree.GetItemPyData(item)
@@ -7725 +7717 @@
         G2plt.PlotImage(G2frame,newPlot=False)
     elif G2frame.GPXtree.GetItemText(item) == 'Stress/Strain':
-        #G2frame.SetTitle('Stress/Strain')
         G2frame.Image = G2frame.GPXtree.GetItemParent(item)
         data = G2frame.GPXtree.GetItemPyData(

trunk/GSASIIphsGUI.py

@@ -1364 +1364 @@
                     generalData['Name'] = newName
                     G2frame.G2plotNB.Rename(oldName,generalData['Name'])
-                    #G2frame.SetLabel(G2frame.GetLabel().split('||')[0]+' || '+'Phase Data for '+generalData['Name'])
-                    #G2frame.SetTitle('Phase Data for '+generalData['Name'])                    
                     G2frame.GPXtree.SetItemText(Item,generalData['Name'])
                     # change phase name key in Reflection Lists for each histogram
@@ -9194 +9192 @@
     PhaseName = G2frame.GPXtree.GetItemText(Item)
     G2gd.SetDataMenuBar(G2frame)
-    #G2frame.SetLabel(G2frame.GetLabel().split('||')[0]+' || '+'Phase Data for '+PhaseName)
-    #G2frame.SetTitle('Phase Data for '+PhaseName)
     # Bob: why do this differently in debug mode? Is this code to test if tabs can be moved around? #TODO - yup, flaky tho.
 #    if GSASIIpath.GetConfigValue('debug'):

trunk/GSASIIplot.py

@@ -2705 +2705 @@
                     Ifin = np.searchsorted(X,limits[1][1])
                     Plot1.set_yscale("linear")                                                  
-                    DZ = (xye[1]-xye[3])*np.sqrt(xye[2])
+                    wtFactor = Pattern[0]['wtFactor']
+                    DZ = (xye[1]-xye[3])*np.sqrt(wtFactor*xye[2])
                     DifLine = Plot1.plot(X[Ibeg:Ifin],DZ[Ibeg:Ifin],colors[3],picker=1.,label='_diff')                    #(Io-Ic)/sig(Io)
                     Plot1.axhline(0.,color='k')
@@ -3645 +3646 @@
         ContourY = []
         Nseq = 0
+        
     for N,Pattern in enumerate(PlotList):
         xye = Pattern[1]

trunk/GSASIIpwdGUI.py

@@ -930 +930 @@
     G2frame.PeakTable = G2G.Table(data['peaks'],rowLabels=rowLabels,colLabels=colLabels,types=Types)
     #G2frame.SetLabel(G2frame.GetLabel().split('||')[0]+' || '+'Peak List')
-    #G2frame.SetTitle('Peak List')
     G2frame.dataWindow.currentGrids = []
     reflGrid = G2G.GSGrid(parent=G2frame.dataWindow)
@@ -1447 +1446 @@
     G2gd.SetDataMenuBar(G2frame,G2frame.dataWindow.LimitMenu)
     #G2frame.SetLabel(G2frame.GetLabel().split('||')[0]+' || '+'Limits')
-    #G2frame.SetTitle('Limits')
     G2frame.Bind(wx.EVT_MENU,OnLimitCopy,id=G2G.wxID_LIMITCOPY)
     G2frame.Bind(wx.EVT_MENU,OnAddExcl,id=G2G.wxID_ADDEXCLREGION)
@@ -1783 +1781 @@
     def MakeParameterWindow():
         'Displays the Instrument parameters in the dataWindow frame'
-        #G2frame.SetTitle('Instrument Parameters')
         G2frame.dataWindow.ClearData()
         mainSizer = G2frame.dataWindow.GetSizer()
@@ -2430 +2427 @@
     G2gd.SetDataMenuBar(G2frame,G2frame.dataWindow.SampleMenu)
     #G2frame.SetLabel(G2frame.GetLabel().split('||')[0]+' || '+'Sample Parameters')
-    #G2frame.SetTitle('Sample Parameters')
     G2frame.Bind(wx.EVT_MENU, OnSetScale, id=G2G.wxID_SETSCALE)
     G2frame.Bind(wx.EVT_MENU, OnSampleCopy, id=G2G.wxID_SAMPLECOPY)
@@ -2701 +2697 @@
     G2frame.GPXtree.SetItemPyData(IndexId,data)
     G2frame.IndexPeaksTable = G2G.Table(data[0],rowLabels=rowLabels,colLabels=colLabels,types=Types)
-    #G2frame.SetTitle('Index Peak List')
     G2frame.dataWindow.currentGrids = []
     G2frame.indxPeaks = G2G.GSGrid(parent=G2frame.dataWindow)                
@@ -3227 +3222 @@
             dlg.Destroy()
             
-    #G2frame.SetTitle('Unit cells')
     G2gd.SetDataMenuBar(G2frame,G2frame.dataWindow.IndexMenu)
     G2frame.Bind(wx.EVT_MENU, OnIndexPeaks, id=G2G.wxID_INDEXPEAKS)
@@ -3607 +3601 @@
             return          #deleted phase?
         G2frame.RefList = phaseName
-        #G2frame.SetTitle('Reflection List for '+phaseName)
         if HKLF:
             G2frame.GetStatusBar().SetStatusText('abs(DF)/sig > 10 red; > 3 yellow; flag:>0 twin no., 0 sp.gp absent, -1 user rejected, -2 Rfree',1)
@@ -4044 +4037 @@
     wave = G2mth.getWave(Inst)
     G2gd.SetDataMenuBar(G2frame,G2frame.dataWindow.SubstanceMenu)
-    #G2frame.SetTitle('Substances')
     G2frame.Bind(wx.EVT_MENU, OnLoadSubstance, id=G2G.wxID_LOADSUBSTANCE)    
     G2frame.Bind(wx.EVT_MENU, OnReloadSubstances, id=G2G.wxID_RELOADSUBSTANCES)    
@@ -4694 +4686 @@
     G2gd.SetDataMenuBar(G2frame,G2frame.dataWindow.ModelMenu)
     G2frame.dataWindow.ClearData()
-    #G2frame.SetTitle('Modelling')
     G2frame.Bind(wx.EVT_MENU, OnCopyModel, id=G2G.wxID_MODELCOPY)
     G2frame.Bind(wx.EVT_MENU, OnCopyFlags, id=G2G.wxID_MODELCOPYFLAGS)
@@ -5269 +5260 @@
     Inst = G2frame.GPXtree.GetItemPyData(G2gd.GetGPXtreeItemId(G2frame,G2frame.PatternId, 'Instrument Parameters'))[0]
     G2gd.SetDataMenuBar(G2frame,G2frame.dataWindow.REFDModelMenu)
-    #G2frame.SetTitle('Modelling')
     G2frame.dataWindow.ClearData()
     G2frame.Bind(wx.EVT_MENU, OnCopyModel, id=G2G.wxID_MODELCOPY)

trunk/GSASIIrestrGUI.py

@@ -53 +53 @@
     return rows
        
-def UpdateRestraints(G2frame,data,Phases,phaseName):
+def UpdateRestraints(G2frame,data,phaseName):
     '''Respond to selection of the Restraints item on the
     data tree
     '''
-    global Pages
-    def OnSelectPhase(event):
-        pageName = Pages[G2frame.restrBook.GetSelection()]
-        dlg = wx.SingleChoiceDialog(G2frame,'Select','Phase',list(Phases.keys()))
-        try:
-            if dlg.ShowModal() == wx.ID_OK:
-                phaseName = list(Phases.keys())[dlg.GetSelection()]
-                UpdateRestraints(G2frame,data,Phases,phaseName)
-                newPage = G2frame.restrBook.FindPage(pageName)
-                G2frame.restrBook.SetSelection(newPage)
-        finally:
-            dlg.Destroy()
+#    global Pages
     
     def getMacroFile(macName):
@@ -827 +816 @@
 
         wtBox = wx.BoxSizer(wx.HORIZONTAL)
-        wtBox.Add(wx.StaticText(wind,-1,'Restraint weight factor: '),0,WACV)
+        wtBox.Add(wx.StaticText(wind,-1,'Phase '+phaseName+' Restraint weight factor: '),0,WACV)
         wtfactor = G2G.ValidatedTxtCtrl(wind,restData,'wtFactor',nDig=(10,2),typeHint=float)
         wtBox.Add(wtfactor,0,WACV)
@@ -1918 +1907 @@
 
     # UpdateRestraints execution starts here
-    if not Phases:
-        print ('There are no phases to form restraints')
-        return
-    if not len(Phases):
-        print ('There are no phases to form restraints')
-        return
-    phasedata = Phases[phaseName]
-    if phaseName not in data:
-        data[phaseName] = {}
-    restrData = data[phaseName]
+    phasedata = G2frame.GetPhaseData()[phaseName]
+    restrData = data
     if 'Bond' not in restrData:
         restrData['Bond'] = {'wtFactor':1.0,'Range':1.1,'Bonds':[],'Use':True}
@@ -1969 +1950 @@
     ramaName = 'All'
     G2gd.SetDataMenuBar(G2frame,G2frame.dataWindow.RestraintMenu)    
-    G2frame.dataWindow.RestraintEdit.Enable(G2G.wxID_RESTSELPHASE,False)
-    if len(Phases) > 1:
-        G2frame.dataWindow.RestraintEdit.Enable(G2G.wxID_RESTSELPHASE,True)
-        G2frame.Bind(wx.EVT_MENU, OnSelectPhase, id=G2G.wxID_RESTSELPHASE)
     G2frame.Bind(wx.EVT_MENU, OnAddRestraint, id=G2G.wxID_RESTRAINTADD)
     if 'macro' in phasedata['General']['Type']:
@@ -1980 +1957 @@
     
     # GUI defined here
-    #G2frame.SetTitle('restraints for '+phaseName)
-    #G2frame.restrBook = G2G.GSNoteBook(parent=G2frame.dataWindow,size=G2frame.dataWindow.GetClientSize())
     G2frame.restrBook = G2G.GSNoteBook(parent=G2frame.dataWindow)
     G2frame.dataWindow.GetSizer().Add(G2frame.restrBook,1,wx.ALL|wx.EXPAND,1)