WIP: adding group tree items & plot groups

Author: briantoby

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
@@ -8956,6 +8957,11 @@ 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))
     ############################################################################
@@ -9149,6 +9155,12 @@ 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/'):
+        # groupDict is defined. 
+        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/GSASIIgroupGUI.py

@@ -0,0 +1,59 @@
+# -*- coding: utf-8 -*-
+'''
+Routines for working with groups of histograms. 
+
+Groups are defined in Controls entry ['Groups'] which contains three entries:
+
+* Controls['Groups']['groupDict'] 
+   a dict where each key is the name of the group and the value is a list of 
+   histograms in the group
+* Controls['Groups']['notGrouped']
+   a count of the number of histograms that are not in any group
+* Controls['Groups']['template'] 
+   the string used to set the grouping
+
+See SearchGroups in :func:`GSASIIdataGUI.UpdateControls`.
+'''
+
+# import math
+# import os
+# import re
+# import copy
+# import platform
+# import pickle
+# import sys
+# import random as ran
+
+import numpy as np
+# import numpy.ma as ma
+import wx
+
+from . import GSASIIpath
+from . import GSASIIdataGUI as G2gd
+# from . import GSASIIobj as G2obj
+# import GSASIIpwdGUI as G2pdG
+# from . import GSASIIimgGUI as G2imG
+# from . import GSASIIElem as G2el
+# from . import GSASIIfiles as G2fil
+# from . import GSASIIctrlGUI as G2G
+# from . import GSASIImath as G2mth
+# from . import GSASIIElem as G2elem
+# from . import GSASIIspc as G2spc
+# from . import GSASIIlattice as G2lat
+# from . import GSASIIpwd as G2pwd
+from . import GSASIIctrlGUI as G2G
+from . import GSASIIpwdplot as G2pwpl
+WACV = wx.ALIGN_CENTER_VERTICAL
+
+def UpdateGroup(G2frame,item):
+    G2gd.SetDataMenuBar(G2frame)
+    G2frame.dataWindow.helpKey = "Groups/PWDR"
+    topSizer = G2frame.dataWindow.topBox
+    parent = G2frame.dataWindow.topPanel
+    topSizer.Add(wx.StaticText(parent,label=' Group edit goes here someday'),0,WACV)
+    topSizer.Add((-1,-1),1,wx.EXPAND)
+    topSizer.Add(G2G.HelpButton(parent,helpIndex=G2frame.dataWindow.helpKey))
+    G2G.HorizontalLine(G2frame.dataWindow.GetSizer(),G2frame.dataWindow)
+    #G2frame.dataWindow.GetSizer().Add(text,1,wx.ALL|wx.EXPAND)
+    G2frame.groupName = G2frame.GPXtree.GetItemText(item)
+    G2pwpl.PlotPatterns(G2frame,plotType='GROUP')

GSASII/GSASIImiscGUI.py

@@ -8,8 +8,6 @@
 
 '''
 
-from __future__ import division, print_function
-
 # # Allow this to be imported without wx present.
 # try:
 #     import wx
@@ -554,6 +552,8 @@ def ProjFileOpen(G2frame,showProvenance=True):
         finally:
             dlg.Destroy()
     wx.BeginBusyCursor()
+    groupDict = {}
+    groupInserted = False   # only need to do this once
     try:
         if GSASIIpath.GetConfigValue('show_gpxSize'):
             posPrev = 0
@@ -575,13 +575,23 @@ def ProjFileOpen(G2frame,showProvenance=True):
                 #if unexpectedObject:
                 #    print(datum[0])
                 #    GSASIIpath.IPyBreak()
+            # insert groups before any individual PDWR items
+            if datum[0].startswith('PWDR') and groupDict and not groupInserted:
+                Id = G2frame.GPXtree.AppendItem(parent=G2frame.root,text='Groups/PWDR')
+                G2frame.GPXtree.SetItemPyData(Id,{})
+                for nam in groupDict:
+                    sub = G2frame.GPXtree.AppendItem(parent=Id,text=nam)
+                    G2frame.GPXtree.SetItemPyData(sub,{})
+                groupInserted = True
             Id = G2frame.GPXtree.AppendItem(parent=G2frame.root,text=datum[0])
             if datum[0] == 'Phases' and GSASIIpath.GetConfigValue('SeparateHistPhaseTreeItem',False):
                 G2frame.GPXtree.AppendItem(parent=G2frame.root,text='Hist/Phase')
             if updateFromSeq and datum[0] == 'Phases':
                 for pdata in data[1:]:
                     if pdata[0] in Phases:
                         pdata[1].update(Phases[pdata[0]])
+            elif datum[0] == 'Controls':
+                groupDict = datum[1].get('Groups',{}).get('groupDict',{})
             elif updateFromSeq and datum[0] == 'Covariance':
                 data[0][1] = CovData
             elif updateFromSeq and datum[0] == 'Rigid bodies':

GSASII/GSASIIpwdplot.py

@@ -199,7 +199,7 @@ def OnPlotKeyPress(event):
         try:        #one way to check if key stroke will work on plot
             Parms,Parms2 = G2frame.GPXtree.GetItemPyData(G2gd.GetGPXtreeItemId(G2frame,G2frame.PatternId, 'Instrument Parameters'))
         except TypeError:
-            G2frame.G2plotNB.status.SetStatusText('Select '+plottype+' pattern first',1)
+            G2frame.G2plotNB.status.SetStatusText(f'Select {plottype} pattern first',1)
             return
         newPlot = False
         if event.key == 'w':
@@ -1602,6 +1602,19 @@ def onPartialConfig(event):
     for i in 'Obs_color','Calc_color','Diff_color','Bkg_color':
         pwdrCol[i] = '#' + GSASIIpath.GetConfigValue(i,getDefault=True)
 
+    groupName = None
+    groupDict = {}
+    if plotType == 'GROUP':
+        groupName = G2frame.groupName # set in GSASIIgroupGUI.UpdateGroup
+        Controls = G2frame.GPXtree.GetItemPyData(G2gd.GetGPXtreeItemId(G2frame,G2frame.root, 'Controls'))
+        groupDict = Controls.get('Groups',{}).get('groupDict',{})
+        if groupName not in groupDict:
+            print(f'Unexpected: {groupName} not in groupDict')
+            return
+        # set data to first histogram in group 
+        G2frame.PatternId = G2gd.GetGPXtreeItemId(G2frame, G2frame.root, groupDict[groupName][0])
+        data = G2frame.GPXtree.GetItemPyData(G2frame.PatternId)
+
     if not G2frame.PatternId:
         return
     if 'PKS' in plottype: # This is probably not used anymore; PlotPowderLines seems to be called directly
@@ -1614,6 +1627,11 @@ def onPartialConfig(event):
     else:
         publish = None
     new,plotNum,Page,Plot,limits = G2frame.G2plotNB.FindPlotTab('Powder Patterns','mpl',publish=publish)
+    # if we are changing histogram types (including group to individual, reset plot)
+    if not new and hasattr(Page,'prevPlotType'):
+        if Page.prevPlotType != plotType: new = True
+    Page.prevPlotType = plotType
+
     if G2frame.ifSetLimitsMode and G2frame.GPXtree.GetItemText(G2frame.GPXtree.GetSelection()) == 'Limits':
         # note mode
         if G2frame.ifSetLimitsMode == 1:
@@ -1641,8 +1659,8 @@ def onPartialConfig(event):
         G2frame.lastPlotType
     except:
         G2frame.lastPlotType = None
-    groupDict = {}
-    if plotType == 'PWDR':
+    
+    if plotType == 'PWDR' or plotType == 'GROUP':
         try:
             Parms,Parms2 = G2frame.GPXtree.GetItemPyData(G2gd.GetGPXtreeItemId(G2frame,
                 G2frame.PatternId, 'Instrument Parameters'))
@@ -1662,8 +1680,6 @@ def onPartialConfig(event):
             G2frame.lastPlotType = Parms['Type'][1]
         except TypeError:       #bad id from GetGPXtreeItemId - skip
             pass
-        Controls = G2frame.GPXtree.GetItemPyData(G2gd.GetGPXtreeItemId(G2frame,G2frame.root, 'Controls'))
-        groupDict = Controls.get('Groups',{}).get('groupDict',{})
     try:
         G2frame.FixedLimits
     except:
@@ -2003,17 +2019,6 @@ def onPartialConfig(event):
             xLabel = 'E, keV'
         else:
             xLabel = r'$\mathsf{2\theta}$'
-    # working here
-    groupName = None
-    if groupDict:
-        histname = G2frame.GPXtree.GetItemText(G2frame.PatternId)
-        for key in groupDict:
-            if histname in groupDict[key]:
-                groupName = key
-                break
-        else:
-            print('No group for histogram',histname)
-    
     if groupName is not None:
         # plot a group of histograms
         Page.Choice = [' key press',

GSASII/meson.build

@@ -9,7 +9,6 @@ py.install_sources([
     'GSASIIGUI.py',
     'GSASIIElem.py',
     'GSASIIElemGUI.py',
-    # 'GSASIIIO.py',
     'GSASIImiscGUI.py',
     'GSASIIIntPDFtool.py',
     'GSASIIconstrGUI.py',
@@ -20,11 +19,11 @@ py.install_sources([
     'GSASIIexprGUI.py',
     'GSASIIfiles.py',
     'GSASIIfpaGUI.py',
+    'GSASIIgroupGUI.py',
     'GSASIIimage.py',
     'GSASIIimgGUI.py',
     'GSASIIindex.py',
     'GSASIIlattice.py',
-    # 'GSASIIlog.py',
     'GSASIImapvars.py',
     'GSASIImath.py',
     'GSASIImpsubs.py',