Add grouping of histograms

GSASII/GSASIIdataGUI.py

@@ -67,6 +67,7 @@ def new_util_find_library( name ):
 from . import GSASIIfpaGUI as G2fpa
 from . import GSASIIseqGUI as G2seq
 from . import GSASIIddataGUI as G2ddG
+from . import GSASIIgroupGUI as G2gr
 
 try:
     wx.NewIdRef
@@ -1404,6 +1405,7 @@ def OnImportSfact(self,event):
         header = 'Select phase(s) to add the new\nsingle crystal dataset(s) to:'
         for Name in newHistList:
             header += '\n  '+str(Name)
+        if len(header) > 200: header = header[:200]+'...'
         result = G2G.ItemSelector(phaseNameList,self,header,header='Add to phase(s)',multiple=True)
         if not result: return
         # connect new phases to histograms
@@ -1997,7 +1999,7 @@ def OnImportPowder(self,event):
         header = 'Select phase(s) to link\nto the newly-read data:'
         for Name in newHistList:
             header += '\n  '+str(Name)
-
+        if len(header) > 200: header = header[:200]+'...'
         result = G2G.ItemSelector(phaseNameList,self,header,header='Add to phase(s)',multiple=True)
         if not result: return
         # connect new phases to histograms
@@ -4300,13 +4302,14 @@ def OnFileBrowse(self, event):
             print (traceback.format_exc())
 
 
-    def StartProject(self):
+    def StartProject(self,selectItem=True):
         '''Opens a GSAS-II project file & selects the 1st available data set to
         display (PWDR, HKLF, REFD or SASD)
         '''
 
         Id = 0
         phaseId = None
+        GroupId = None
         seqId = None
         G2IO.ProjFileOpen(self)
         self.GPXtree.SetItemText(self.root,'Project: '+self.GSASprojectfile)
@@ -4326,26 +4329,36 @@ def StartProject(self):
                 seqId = item
             elif name == "Phases":
                 phaseId = item
+            elif name.startswith("Groups"):
+                GroupId = item
             elif name == 'Controls':
                 data = self.GPXtree.GetItemPyData(item)
                 if data:
                     for item in self.Refine: item.Enable(True)
             item, cookie = self.GPXtree.GetNextChild(self.root, cookie)
         if phaseId: # show all phases
             self.GPXtree.Expand(phaseId)
-        if seqId:
+        if GroupId:
+            self.GPXtree.Expand(GroupId)
+        # select an item
+        if seqId and selectItem:
             self.EnablePlot = True
             SelectDataTreeItem(self,seqId)
             self.GPXtree.SelectItem(seqId)  # needed on OSX or item is not selected in tree; perhaps not needed elsewhere
-        elif Id:
+        elif GroupId and selectItem:
+            self.EnablePlot = True
+            self.GPXtree.Expand(GroupId)
+            SelectDataTreeItem(self,GroupId)
+            self.GPXtree.SelectItem(GroupId)  # needed on OSX or item is not selected in tree; perhaps not needed elsewhere
+        elif Id and selectItem:
             self.EnablePlot = True
             self.GPXtree.Expand(Id)
             SelectDataTreeItem(self,Id)
             self.GPXtree.SelectItem(Id)  # needed on OSX or item is not selected in tree; perhaps not needed elsewhere
-        elif phaseId:
+        elif phaseId and selectItem:
             Id = phaseId
             # open 1st phase
-            Id, unused = self.GPXtree.GetFirstChild(phaseId)
+            Id,_ = self.GPXtree.GetFirstChild(phaseId)
             SelectDataTreeItem(self,Id)
             self.GPXtree.SelectItem(Id) # as before for OSX
         self.CheckNotebook()
@@ -7495,6 +7508,20 @@ def _makemenu():     # routine to create menu when first used
             # don't know which menu was selected, but should be General on first phase use
             SetDataMenuBar(G2frame,self.DataGeneral)
         self.DataGeneral = _makemenu
+
+        # Groups
+        G2G.Define_wxId('wxID_GRPALL','wxID_GRPSEL','wxID_HIDESAME')
+        def _makemenu():     # routine to create menu when first used
+            self.GroupMenu = wx.MenuBar()
+            self.PrefillDataMenu(self.GroupMenu)
+            self.GroupCmd = wx.Menu(title='')
+            self.GroupMenu.Append(menu=self.GroupCmd, title='Grp Cmds')
+            self.GroupCmd.Append(G2G.wxID_GRPALL,'Copy all','Copy all parameters by group')
+            self.GroupCmd.Append(G2G.wxID_GRPSEL,'Copy selected','Copy elected parameters by group')
+#            self.GroupCmd.Append(G2G.wxID_HIDESAME,'Hide identical rows','Omit rows that are the same and are not refinable from table')
+            self.PostfillDataMenu()
+            SetDataMenuBar(G2frame,self.GroupMenu)
+        self.GroupMenu = _makemenu
     # end of GSAS-II menu definitions
 
 def readFromFile(reader):
@@ -7901,26 +7928,63 @@ def OnFsqRef(event):
                 ShklSizer.Add(usrrej,0,WACV)
         return LSSizer,ShklSizer
 
-    def AuthSizer():
-        def OnAuthor(event):
-            event.Skip()
-            data['Author'] = auth.GetValue()
-
-        Author = data['Author']
-        authSizer = wx.BoxSizer(wx.HORIZONTAL)
-        authSizer.Add(wx.StaticText(G2frame.dataWindow,label=' CIF Author (last, first):'),0,WACV)
-        auth = wx.TextCtrl(G2frame.dataWindow,-1,value=Author,style=wx.TE_PROCESS_ENTER)
-        auth.Bind(wx.EVT_TEXT_ENTER,OnAuthor)
-        auth.Bind(wx.EVT_KILL_FOCUS,OnAuthor)
-        authSizer.Add(auth,0,WACV)
-        return authSizer
+    # def AuthSizer():
+    #     def OnAuthor(event):
+    #         event.Skip()
+    #         data['Author'] = auth.GetValue()
+    #
+    #     Author = data['Author']
+    #     authSizer = wx.BoxSizer(wx.HORIZONTAL)
+    #     authSizer.Add(wx.StaticText(G2frame.dataWindow,label=' CIF Author (last, first):'),0,WACV)
+    #     auth = wx.TextCtrl(G2frame.dataWindow,-1,value=Author,style=wx.TE_PROCESS_ENTER)
+    #     auth.Bind(wx.EVT_TEXT_ENTER,OnAuthor)
+    #     auth.Bind(wx.EVT_KILL_FOCUS,OnAuthor)
+    #     authSizer.Add(auth,0,WACV)
+    #     return authSizer
 
     def ClearFrozen(event):
         'Removes all frozen parameters by clearing the entire dict'
         Controls['parmFrozen'] = {}
         wx.CallAfter(UpdateControls,G2frame,data)
 
-    # start of UpdateControls
+    def SearchGroups(event):
+        '''Create a dict to group similar histograms. Similarity
+        is judged by a common string that matches a template
+        supplied by the user
+        '''
+        Histograms,Phases = G2frame.GetUsedHistogramsAndPhasesfromTree()
+        for hist in Histograms:
+            if hist.startswith('PWDR '):
+                break
+        else:
+            G2G.G2MessageBox(G2frame,'No used PWDR histograms found to group. Histograms must be assigned phase(s).',
+                                     'Cannot group')
+            return
+        ans = G2frame.OnFileSave(None)
+        if not ans: return
+        data['Groups'] = G2gr.SearchGroups(G2frame,Histograms,hist)
+#        wx.CallAfter(UpdateControls,G2frame,data)
+        ans = G2frame.OnFileSave(None)
+        if not ans: return
+        G2frame.clearProject() # clear out data tree
+        G2frame.StartProject(False)
+        #self.EnablePlot = True
+        Id = GetGPXtreeItemId(G2frame,G2frame.root, 'Controls')
+        SelectDataTreeItem(G2frame,Id)
+        G2frame.GPXtree.SelectItem(Id)  # needed on OSX or item is not selected in tree; perhaps not needed elsewhere
+
+    def ClearGroups(event):
+        del data['Groups']
+        ans = G2frame.OnFileSave(None)
+        if not ans: return
+        G2frame.clearProject() # clear out data tree
+        G2frame.StartProject(False)
+        #self.EnablePlot = True
+        Id = GetGPXtreeItemId(G2frame,G2frame.root, 'Controls')
+        SelectDataTreeItem(G2frame,Id)
+        G2frame.GPXtree.SelectItem(Id)  # needed on OSX or item is not selected in tree; perhaps not needed elsewhere
+
+    #======= start of UpdateControls ===========================================
     if 'SVD' in data['deriv type']:
         G2frame.GetStatusBar().SetStatusText('Hessian SVD not recommended for initial refinements; use analytic Hessian or Jacobian',1)
     else:
@@ -7961,11 +8025,44 @@ def ClearFrozen(event):
     G2G.HorizontalLine(mainSizer,G2frame.dataWindow)
     subSizer = wx.BoxSizer(wx.HORIZONTAL)
     subSizer.Add((-1,-1),1,wx.EXPAND)
-    subSizer.Add(wx.StaticText(G2frame.dataWindow,label='Global Settings'),0,WACV)
+    subSizer.Add(wx.StaticText(G2frame.dataWindow,label='Histogram Grouping'),0,WACV)
+    subSizer.Add((-1,-1),1,wx.EXPAND)
+    mainSizer.Add(subSizer,0,wx.EXPAND)    
+    subSizer = wx.BoxSizer(wx.HORIZONTAL)
+    groupDict = data.get('Groups',{}).get('groupDict',{})
+    subSizer.Add((-1,-1),1,wx.EXPAND)
+    if groupDict:
+        groupCount = [len(groupDict[k]) for k in groupDict]
+        if min(groupCount) == max(groupCount):
+            msg = f'Have {len(groupDict)} group(s) with {min(groupCount)} histograms in each'
+        else:
+            msg = (f'Have {len(groupDict)} group(s) with {min(groupCount)}'
+                       f' to {min(groupCount)} histograms in each')
+        notGrouped = data.get('Groups',{}).get('notGrouped',0)
+        if notGrouped:
+            msg += f". {notGrouped} not in a group"
+        subSizer.Add(wx.StaticText(G2frame.dataWindow,label=msg),0,WACV)
+        subSizer.Add((5,-1))
+        btn = wx.Button(G2frame.dataWindow, wx.ID_ANY,'Redefine groupings')
+    else:
+        btn = wx.Button(G2frame.dataWindow, wx.ID_ANY,'Define groupings')
+    btn.Bind(wx.EVT_BUTTON,SearchGroups)
+    subSizer.Add(btn)
+    if groupDict:
+        btn = wx.Button(G2frame.dataWindow, wx.ID_ANY,'Clear groupings')
+        subSizer.Add((5,-1))
+        subSizer.Add(btn)
+        btn.Bind(wx.EVT_BUTTON,ClearGroups)
     subSizer.Add((-1,-1),1,wx.EXPAND)
     mainSizer.Add(subSizer,0,wx.EXPAND)
-    mainSizer.Add(AuthSizer())
-    mainSizer.Add((5,5),0)
+    mainSizer.Add((-1,8))
+    G2G.HorizontalLine(mainSizer,G2frame.dataWindow)
+    subSizer = wx.BoxSizer(wx.HORIZONTAL)
+    subSizer.Add((-1,-1),1,wx.EXPAND)
+    # subSizer.Add(wx.StaticText(G2frame.dataWindow,label='Global Settings'),0,WACV)
+    # subSizer.Add((-1,-1),1,wx.EXPAND)
+    # mainSizer.Add(subSizer,0,wx.EXPAND)
+    # mainSizer.Add(AuthSizer())
     Controls = data
     # count frozen variables (in appropriate place)
     for key in ('parmMinDict','parmMaxDict','parmFrozen'):
@@ -8879,6 +8976,11 @@ def OnShowShift(event):
             #import imp
             #imp.reload(G2ddG)
             G2ddG.MakeHistPhaseWin(G2frame)
+        elif G2frame.GPXtree.GetItemText(item).startswith('Groups/'):
+            # groupDict is defined (or item would not be in tree). 
+            # At least for now, this does nothing, so advance to first group entry
+            item, cookie = G2frame.GPXtree.GetFirstChild(item)
+            wx.CallAfter(G2frame.GPXtree.SelectItem,item)
         elif GSASIIpath.GetConfigValue('debug'):
             print('Unknown tree item',G2frame.GPXtree.GetItemText(item))
     ############################################################################
@@ -9076,6 +9178,16 @@ def OnShowShift(event):
         data = G2frame.GPXtree.GetItemPyData(G2frame.PatternId)
         G2pdG.UpdateReflectionGrid(G2frame,data,HKLF=True,Name=name)
         G2frame.dataWindow.HideShow.Enable(True)
+    elif G2frame.GPXtree.GetItemText(parentID).startswith('Groups/'):
+        # if GSASIIpath.GetConfigValue('debug'):
+        #     print('Debug: reloading',G2gr)
+        #     from importlib import reload
+        #     reload(G2G)
+        #     reload(G2gr)
+        G2gr.UpdateGroup(G2frame,item)
+    elif GSASIIpath.GetConfigValue('debug'):
+            print(f'Unknown subtree item {G2frame.GPXtree.GetItemText(item)!r}',
+                  f'\n\tparent: {G2frame.GPXtree.GetItemText(parentID)!r}')
 
     if G2frame.PickId:
         G2frame.PickIdText = G2frame.GetTreeItemsList(G2frame.PickId)

GSASII/GSASIIfiles.py

@@ -1467,7 +1467,11 @@ def FormatValue(val,maxdigits=None):
         digits.append('f')
     if not val:
         digits[2] = 'f'
-    fmt="{:"+str(digits[0])+"."+str(digits[1])+digits[2]+"}"
+    if digits[2] == 'g':
+        fmt="{:#"+str(digits[0])+"."+str(digits[1])+digits[2]+"}"
+        # the # above forces inclusion of a decimal place: 10.000 rather than 10 for 9.999999999
+    else:
+        fmt="{:"+str(digits[0])+"."+str(digits[1])+digits[2]+"}"
     string = fmt.format(float(val)).strip() # will standard .f formatting work?
     if len(string) <= digits[0]:
         if ':' in string: # deal with weird bug where a colon pops up in a number when formatting (EPD 7.3.2!)