WIP: get plotting working, fix display of groups. Next: table for edit of params

Author: briantoby

GSASII/GSASIIdataGUI.py

@@ -4300,13 +4300,14 @@ 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 +4327,36 @@ 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()
@@ -7924,6 +7935,8 @@ def SearchGroups(event):
         is judged by a common string that matches a template
         supplied by the user
         '''
+        ans = G2frame.OnFileSave(None)
+        if not ans: return
         Histograms,Phases = G2frame.GetUsedHistogramsAndPhasesfromTree()
         for hist in Histograms:
             if hist.startswith('PWDR '):
@@ -7932,6 +7945,8 @@ def SearchGroups(event):
             G2G.G2MessageBox(G2frame,'No PWDR histograms found to group',
                                      'Cannot group')
             return
+        repeat = True
+        srchStr = hist[5:]
         msg = ('Edit the histogram name below placing a question mark (?) '
                 'at the location '
                 'of characters that change between groups of '
@@ -7940,40 +7955,71 @@ def SearchGroups(event):
                 'vary within a histogram group (e.g. Bank 1). '
                 'Be sure to leave enough characters so the string '
                 'can be uniquely matched.')
-        res = G2G.StringSearchTemplate(G2frame,'Set match template',msg,hist[5:])
-        re_res = re.compile(res.replace('.',r'\.').replace('?','.'))
-        setDict = {}
-        keyList = []
-        noMatchCount = 0
-        for hist in Histograms:
-            if hist.startswith('PWDR '):
-                m = re_res.search(hist)
-                if m:
-                    key = hist[m.start():m.end()]
-                    setDict[hist] = key
-                    if key not in keyList: keyList.append(key)
-                else:
-                    noMatchCount += 1
-        groupDict = {}
-        groupCount = {}
-        for k in keyList:
-            groupDict[k] = [hist for hist,key in setDict.items() if k == key]
-            groupCount[k] = len(groupDict[k])
+        while repeat:
+            srchStr = G2G.StringSearchTemplate(G2frame,'Set match template',
+                                                   msg,srchStr)
+            if srchStr is None: return # cancel pressed
+            reSrch = re.compile(srchStr.replace('.',r'\.').replace('?','.'))
+            setDict = {}
+            keyList = []
+            noMatchCount = 0
+            for hist in Histograms:
+                if hist.startswith('PWDR '):
+                    m = reSrch.search(hist)
+                    if m:
+                        key = hist[m.start():m.end()]
+                        setDict[hist] = key
+                        if key not in keyList: keyList.append(key)
+                    else:
+                        noMatchCount += 1
+            groupDict = {}
+            groupCount = {}
+            for k in keyList:
+                groupDict[k] = [hist for hist,key in setDict.items() if k == key]
+                groupCount[k] = len(groupDict[k])
 
-        msg = f'With template {res!r} found '
-        if min(groupCount.values()) == max(groupCount.values()):
-            msg += f'{len(groupDict)} groups with {min(groupCount.values())} histograms each'
-        else:
-            msg += (f'{len(groupDict)} groups with between {min(groupCount.values())}'
-                       f' and {min(groupCount.values())} histograms in each')
-        if noMatchCount:
-            msg += f"\n\nNote that {noMatchCount} PWDR histograms were not included in any groups"
-        G2G.G2MessageBox(G2frame,msg,'Grouping result')
-        data['Groups'] = {'groupDict':groupDict,'notGrouped':noMatchCount,
-                              'template':res}
-        wx.CallAfter(UpdateControls,G2frame,data)
+            msg1 = f'With template {srchStr!r} found '
+            if min(groupCount.values()) == max(groupCount.values()):
+                msg1 += f'{len(groupDict)} groups with {min(groupCount.values())} histograms each'
+            else:
+                msg1 += (f'{len(groupDict)} groups with between {min(groupCount.values())}'
+                           f' and {min(groupCount.values())} histograms in each')
+            if noMatchCount:
+                msg1 += f"\n\nNote that {noMatchCount} PWDR histograms were not included in any groups"
+            #G2G.G2MessageBox(G2frame,msg1,'Grouping result')
+            res = G2G.ShowScrolledInfo(G2frame,msg1,header='Grouping result',
+                        buttonlist=[
+               ('OK', lambda event: event.GetEventObject().GetParent().EndModal(wx.ID_OK)),
+               ('try again', lambda event: event.GetEventObject().GetParent().EndModal(wx.ID_CANCEL))
+              ],
+                height=150)
+            if res == wx.ID_OK:
+                repeat = False
 
-    # start of UpdateControls
+        data['Groups'] = {'groupDict':groupDict,'notGrouped':noMatchCount,
+                              'template':srchStr}
+#        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:
@@ -8037,6 +8083,11 @@ def SearchGroups(event):
         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((-1,8))

GSASII/GSASIImiscGUI.py

@@ -22,7 +22,7 @@
 import os
 import re
 import copy
-import platform
+#import platform
 import pickle
 import sys
 import random as ran
@@ -719,7 +719,7 @@ def ProjFileSave(G2frame):
                 commit = g2repo.head.commit
                 Controls['LastSavedUsing'] += f" git {commit.hexsha[:8]}"
             else:
-                gv = getSavedVersionInfo()
+                gv = GSASIIpath.getSavedVersionInfo()
                 if gv is not None:
                     Controls['LastSavedUsing'] += f" static {gv.git_version[:8]}"
         except:
@@ -730,7 +730,7 @@ def ProjFileSave(G2frame):
             while item:
                 data = []
                 name = G2frame.GPXtree.GetItemText(item)
-                if name.startswith('Hist/Phase'):  # skip over this
+                if name.startswith('Hist/Phase') or name.startswith('Groups'):  # skip over this
                     item, cookie = G2frame.GPXtree.GetNextChild(G2frame.root, cookie)
                     continue
                 data.append([name,G2frame.GPXtree.GetItemPyData(item)])

GSASII/GSASIIpwdplot.py

@@ -2020,8 +2020,7 @@ def onPartialConfig(event):
         if Ymax is None: Ymax = max(xye[1])
         Ymax = max(Ymax,max(xye[1]))
     if Ymax is None: return # nothing to plot
-    offsetX = Page.plotStyle['Offset'][1]
-    offsetY = Page.plotStyle['Offset'][0]
+    offsetY,offsetX = Page.plotStyle.get('Offset',(0,0))[:2]
     if Page.plotStyle['logPlot']:
         Title = 'log('+Title+')'
     elif Page.plotStyle['sqrtPlot']:
@@ -2116,32 +2115,44 @@ def onPartialConfig(event):
                                          gridspec_kw=GS_kw)
         Page.figure.subplots_adjust(left=5/100.,bottom=16/150.,
             right=.99,top=1.-3/200.,hspace=0,wspace=0)
+        def adjustDim(i,nx):
+            '''MPL creates a 1-D array when nx=1, 2-D otherwise.
+            This adjusts the array addressing.
+            '''
+            if nx == 1:
+                return (0,1)
+            else:
+                return ((0,i),(1,i))
         for i in range(nx):
-            Plots[0,i].set_xlim(gXmin[i],gXmax[i])
-            Plots[1,i].set_xlim(gXmin[i],gXmax[i])
-            Plots[1,i].set_ylim(DZmin,DZmax)
+            up,down = adjustDim(i,nx)
+            Plots[up].set_xlim(gXmin[i],gXmax[i])
+            Plots[down].set_xlim(gXmin[i],gXmax[i])
+            Plots[down].set_ylim(DZmin,DZmax)
             if not Page.plotStyle.get('flTicks',False):
-                Plots[0,i].set_ylim(-len(Page.phaseList)*5,102)
+                Plots[up].set_ylim(-len(Page.phaseList)*5,102)
             else:
-                Plots[0,i].set_ylim(-1,102)
+                Plots[up].set_ylim(-1,102)
 
         # pretty up the tick labels
-        Plots[0,0].tick_params(axis='y', direction='inout', left=True, right=True)
-        Plots[1,0].tick_params(axis='y', direction='inout', left=True, right=True)
-        for ax in Plots[:,1:].ravel():
-            ax.tick_params(axis='y', direction='in', left=True, right=True)
+        up,down = adjustDim(0,nx)
+        Plots[up].tick_params(axis='y', direction='inout', left=True, right=True)
+        Plots[down].tick_params(axis='y', direction='inout', left=True, right=True)
+        if nx > 1:
+            for ax in Plots[:,1:].ravel():
+                ax.tick_params(axis='y', direction='in', left=True, right=True)
         # remove 1st upper y-label so that it does not overlap with lower box
-        Plots[0,0].get_yticklabels()[0].set_visible(False)
-        Plots[1,0].set_ylabel(r'$\mathsf{\Delta I/\sigma_I}$',fontsize=12)
+        Plots[up].get_yticklabels()[0].set_visible(False)
+        Plots[down].set_ylabel(r'$\mathsf{\Delta I/\sigma_I}$',fontsize=12)
         if Page.plotStyle['sqrtPlot']:
-            Plots[0,0].set_ylabel(r'$\rm\sqrt{Normalized\ intensity}$',fontsize=12)
+            Plots[up].set_ylabel(r'$\rm\sqrt{Normalized\ intensity}$',fontsize=12)
         else:
-            Plots[0,0].set_ylabel('Normalized Intensity',fontsize=12)
+            Plots[up].set_ylabel('Normalized Intensity',fontsize=12)
         Page.figure.text(0.001,0.03,commonltrs,fontsize=13)
         Page.figure.supxlabel(xLabel)
         for i,h in enumerate(groupDict[groupName]):
-            Plot = Plots[0,i]
-            Plot1 = Plots[1,i]
+            up,down = adjustDim(i,nx)
+            Plot = Plots[up]
+            Plot1 = Plots[down]
             if Page.plotStyle['qPlot']:
                 pos = 0.98
                 ha = 'right'
@@ -2208,10 +2219,13 @@ def onPartialConfig(event):
                             Plot.axvline(xt,color=plcolor,
                                         picker=True,pickradius=3.,
                                         label='_FLT_'+phase,lw=0.5)
-        # Not sure if this does anything
-        G2frame.dataWindow.moveTickLoc.Enable(False)
-        G2frame.dataWindow.moveTickSpc.Enable(False)
+        try: # try used as in PWDR menu not Groups
+            # Not sure if this does anything
+            G2frame.dataWindow.moveTickLoc.Enable(False)
+            G2frame.dataWindow.moveTickSpc.Enable(False)
         #     G2frame.dataWindow.moveDiffCurve.Enable(True)
+        except:
+            pass
         Page.canvas.draw()
         return
     elif G2frame.Weight and not G2frame.Contour: