rework HDF5 comments; add comments search; more startup options for testing/devel; allow comments to have = or : (note #258); change .bat file name fir reset now that it is fixed.

Author: briantoby

.gitignore

@@ -2,8 +2,8 @@
 config.py
 
 # local code for debugging
-debug_setup.py.example
-debug_setup.py
+debug_setup.py*
+debug_startup.py*
 
 # created by install/saved-versions.py
 GSASII/saved_version.py

GSASII/GSASIIctrlGUI.py

@@ -2225,6 +2225,62 @@ def Filter(self,event):
             ChoiceList = self.ChoiceList
         self.clb.AppendItems(ChoiceList)
         self._ShowSelections()
+        
+def SelectSearchVars(G2frame,labelLst,keyList):
+    '''Get a sample parameter and a comment label from the user
+    so we can search for that in the comments
+    '''
+    def OnChoice(event):
+        'Respond when a parameter is selected in the Choice box'
+        key = event.GetEventObject().key
+        result[key] = event.GetString()
+        if result.get('Selection') and result.get('Key'):
+            dlg.EndModal(wx.ID_OK)
+
+    result = {}
+    dlg = wx.Dialog(G2frame,wx.ID_ANY,'Select a parameter to set',
+        style=wx.DEFAULT_DIALOG_STYLE|wx.RESIZE_BORDER)
+    mainSizer = wx.BoxSizer(wx.VERTICAL)
+    mainSizer.Add((5,5))
+    subSizer = wx.BoxSizer(wx.HORIZONTAL)
+    subSizer.Add((-1,-1),1,wx.EXPAND)
+    subSizer.Add(wx.StaticText(dlg,wx.ID_ANY,'Select a parameter'))
+    subSizer.Add((-1,-1),1,wx.EXPAND)
+    mainSizer.Add(subSizer,0,wx.EXPAND,0)
+    mainSizer.Add((0,10))
+
+    subSizer = wx.FlexGridSizer(0,2,5,0)
+    subSizer.Add(wx.StaticText(dlg,wx.ID_ANY,'Parameter: '),0,wx.BOTTOM,10)
+    ch = wx.Choice(dlg, wx.ID_ANY, choices = sorted(labelLst))
+    ch.key = 'Selection'
+    ch.SetSelection(-1)
+    ch.Bind(wx.EVT_CHOICE, OnChoice)
+    subSizer.Add(ch)
+    subSizer.Add(wx.StaticText(dlg,wx.ID_ANY,'Key in comments: '),0,wx.TOP,10)
+    ch = wx.Choice(dlg, wx.ID_ANY, choices = keyList)
+    ch.key = 'Key'
+    ch.SetSelection(-1)
+    ch.Bind(wx.EVT_CHOICE, OnChoice)
+    subSizer.Add(ch)
+    mainSizer.Add(subSizer)
+
+    mainSizer.Add((-1,20))
+    btnsizer = wx.StdDialogButtonSizer()
+    btn = wx.Button(dlg, wx.ID_CANCEL)
+    btnsizer.AddButton(btn)
+    btnsizer.Realize()
+    mainSizer.Add((-1,5),1,wx.EXPAND,1)
+    mainSizer.Add(btnsizer,0,wx.ALIGN_CENTER,0)
+    mainSizer.Add((-1,10))
+
+    dlg.SetSizer(mainSizer)
+    mainSizer.Fit(dlg)
+    dlg.CenterOnParent()
+    if dlg.ShowModal() == wx.ID_OK:
+        dlg.Destroy()
+        return result.get('Selection'),result.get('Key')
+    dlg.Destroy()
+    return None,None
 
 def SelectEdit1Var(G2frame,array,labelLst,elemKeysLst,dspLst,refFlgElem):
     '''Select a variable from a list, then edit it and select histograms

GSASII/GSASIIdataGUI.py

@@ -770,6 +770,15 @@ def GSASIImain(application):
     #application.GetTopWindow().SendSizeEvent()
     application.GetTopWindow().Show(True)
     application.main.UpdateTask = GSASIIpath.GetRepoUpdatesInBackground()
+    if GSASIIpath.GetConfigValue('debug'):
+        cmdfile = os.path.join(GSASIIpath.path2GSAS2,'debug_startup.py')
+        if os.path.exists(cmdfile):
+            print(f'executing debug commands from {cmdfile}')
+            txt = open(cmdfile,'r').read()
+            def exectxt():
+#                    print(txt)
+                exec(txt)
+            wx.CallLater(100,exectxt)
 
 #### Create main frame (window) for GUI; main menu items here #######################################
 class GSASII(wx.Frame):
@@ -982,7 +991,7 @@ def PreviewFile(self,filename):
         return False
 
     def OnImportGeneric(self,reader,readerlist,label,multiple=False,
-        usedRanIdList=[],Preview=True,load2Tree=False):
+        usedRanIdList=[],Preview=True,load2Tree=False,filename=None):
         '''Used for all imports, including Phases, datasets, images...
 
         Called from :meth:`GSASII.OnImportPhase`, :meth:`GSASII.OnImportImage`,
@@ -1032,6 +1041,8 @@ def OnImportGeneric(self,reader,readerlist,label,multiple=False,
           value to change to a list of True values rather than
           reader objects.
 
+        :param str filename: a filename, used only for debugging
+
         :returns: a list of reader objects (rd_list) that were able
           to read the specified file(s). This list may be empty.
         '''
@@ -1079,8 +1090,11 @@ def OnImportGeneric(self,reader,readerlist,label,multiple=False,
             typ = ' (type to be guessed)'
         else:
             typ = ' (type '+readerlist[0].formatName+')'
-        filelist = G2G.GetImportFile(self,message="Choose "+label+" input file"+typ,
-            defaultFile="",wildcard=choices,style=mode)
+        if filename:
+            filelist = [filename,]
+        else:
+            filelist = G2G.GetImportFile(self,message="Choose "+label+" input file"+typ,
+                defaultFile="",wildcard=choices,style=mode)
         rd_list = []
         filelist1 = []
         for filename in filelist:
@@ -6955,7 +6969,7 @@ def _makemenu():     # routine to create menu when first used
 
         # PWDR / Sample Parameters
         G2G.Define_wxId('wxID_SAMPLECOPY', 'wxID_SAMPLECOPYSOME', 'wxID_SAMPLEFLAGCOPY','wxID_SAMPLESAVE',
-             'wxID_SAMPLELOAD', 'wxID_SETSCALE', 'wxID_SAMPLE1VAL', 'wxID_ALLSAMPLELOAD',)
+             'wxID_SAMPLELOAD', 'wxID_SETSCALE', 'wxID_SAMPLE1VAL', 'wxID_ALLSAMPLELOAD','wxID_SEARCHVAL',)
         def _makemenu():     # routine to create menu when first used
             self.SampleMenu = wx.MenuBar()
             self.PrefillDataMenu(self.SampleMenu)
@@ -6970,6 +6984,7 @@ def _makemenu():     # routine to create menu when first used
             self.SampleEdit.Append(G2G.wxID_SAMPLE1VAL,'Set one value','Set one sample parameter value across multiple histograms')
             self.SampleEdit.Append(G2G.wxID_ALLSAMPLELOAD,'Load all','Load sample parameters over multiple histograms')
             self.SampleEdit.Append(G2G.wxID_RESCALEALL,'Rescale all','Rescale all data with selected range')
+            self.SampleEdit.Append(G2G.wxID_SEARCHVAL,'Set from comments','Search the comments to set a parameter value')
             self.PostfillDataMenu()
             self.SetScale.Enable(False)
             SetDataMenuBar(G2frame,self.SampleMenu)

GSASII/GSASIIpwdGUI.py

@@ -3849,27 +3849,113 @@ def OnCopy1Val(event):
         # TODO: check if values need to be copied to editing widgets
         wx.CallAfter(UpdateSampleGrid,G2frame,data)
 
+    def OnSearchComments(event):
+        '''Set a selected Sample parameter from a selected entry in the comments
+        for a selected set of histograms
+        '''
+        # get possible keys from current histogram's comments
+        Comments = G2frame.GPXtree.GetItemPyData(G2gd.GetGPXtreeItemId(
+                        G2frame, G2frame.PatternId, 'Comments'))
+        keyList = []
+        for line in Comments:
+            if ':' in line:
+                key = line.split(':')[0]
+            elif '=' in line:
+                key = line.split('=')[0]
+            else:
+                continue
+            keyList.append(key.strip())
+        sampleVar,commentKey = G2G.SelectSearchVars(G2frame,labelLst,keyList)
+        if sampleVar is None or commentKey is None: return
+        # find the array element tied to the sample var
+        if sampleVar not in labelLst:
+            print(f'OnSearchComments: how did we get {sampleVar} not in {labelLst}?')
+            return
+        i = labelLst.index(sampleVar)
+        sampleArrKeys = elemKeysLst[i]
+        # need to select histograms to search/set        
+        hst = G2frame.GPXtree.GetItemText(G2frame.PatternId)
+        histList = GetHistsLikeSelected(G2frame)
+        histList.insert(0,hst)
+        if len(histList) == 1: # only current histogram present -- don't ask
+            selection = [0]
+        else:
+            dlg = G2G.G2MultiChoiceDialog(G2frame,f'Set "{sampleVar}" value in histograms...',
+                                      'Set value from comments', histList)
+            try:
+                if dlg.ShowModal() == wx.ID_OK:
+                    selection = dlg.GetSelections()
+            finally:
+                dlg.Destroy()
+        # cycle through selected histograms, get comments & values
+        count = 0
+        for i in selection:
+            hist = histList[i]
+            hId = G2gd.GetGPXtreeItemId(G2frame,G2frame.root, hist)
+            if not hId:
+                print(f'{hist} not found! strange')
+                continue
+            Comments = G2frame.GPXtree.GetItemPyData(G2gd.GetGPXtreeItemId(G2frame,hId,'Comments'))
+            Sample =   G2frame.GPXtree.GetItemPyData(G2gd.GetGPXtreeItemId(G2frame,hId, 'Sample Parameters'))
+            # search comments for value matching commentKey
+            for item in Comments:
+                if '=' in item:
+                    itemSp = item.split('=')
+                elif ':' in item:
+                    itemSp = item.split(':')
+                else:
+                    continue
+                if commentKey == itemSp[0]:
+                    try:
+                        value = float(itemSp[1])
+                        break
+                    except:
+                        print(f'"{item.strip()}" has an invalid value in Comments for {hist}')
+            else:
+                print(f'"{commentKey}" not in Comments for {hist}')
+                continue
+            # set the value in the selected entry in Sample Parameters
+            try:
+                d = Sample
+                for k in sampleArrKeys[:-1]:
+                    d = d[k]
+                d[sampleArrKeys[-1]]
+            except KeyError:
+                print(f'Strange: "{commentKey}" not in Sample Parameters for {hist}')
+                continue
+            count += 1
+            d[sampleArrKeys[-1]] = value
+        print(f'Done. Set "{sampleVar}" in {count} histograms')
+        wx.CallAfter(UpdateSampleGrid,G2frame,data)
+
     def SearchAllComments(value,tc,*args,**kwargs):
         '''Called when the label for a FreePrm is changed: the comments for all PWDR
-        histograms are searched for a "label=value" pair that matches the label (case
+        histograms are searched for a "label=value" or "label:value" pair that matches the label (case
         is ignored) and the values are then set to this value, if it can be converted
         to a float.
         '''
         Id, cookie = G2frame.GPXtree.GetFirstChild(G2frame.root)
+        count = 0
         while Id:
             name = G2frame.GPXtree.GetItemText(Id)
             if 'PWDR' in name:
                 Comments = G2frame.GPXtree.GetItemPyData(G2gd.GetGPXtreeItemId(G2frame,Id,'Comments'))
                 Sample =   G2frame.GPXtree.GetItemPyData(G2gd.GetGPXtreeItemId(G2frame,Id, 'Sample Parameters'))
                 for i,item in enumerate(Comments):
-                    itemSp = item.split('=')
-                    if value.lower() == itemSp[0].lower():
+                    if '=' in item:
+                        itemSp = item.split('=')
+                    elif ':' in item:
+                        itemSp = item.split(':')
+                    else:
+                        continue
+                    if value.lower() in itemSp[0].lower():
                         try:
                             Sample[tc.key] = float(itemSp[1])
                         except:
                             print('"{}" has an invalid value in Comments from {}'
                                   .format(item.strip(),name))
             Id, cookie = G2frame.GPXtree.GetNextChild(G2frame.root, cookie)
+        print(f'{count} values were found in the histogram comments')
         wx.CallLater(100,UpdateSampleGrid,G2frame,data)
 
     # start of UpdateSampleGrid
@@ -3886,6 +3972,7 @@ def SearchAllComments(value,tc,*args,**kwargs):
     G2frame.Bind(wx.EVT_MENU, OnSampleSave, id=G2G.wxID_SAMPLESAVE)
     G2frame.Bind(wx.EVT_MENU, OnSampleLoad, id=G2G.wxID_SAMPLELOAD)
     G2frame.Bind(wx.EVT_MENU, OnCopy1Val, id=G2G.wxID_SAMPLE1VAL)
+    G2frame.Bind(wx.EVT_MENU, OnSearchComments, id=G2G.wxID_SEARCHVAL)
     G2frame.Bind(wx.EVT_MENU, OnAllSampleLoad, id=G2G.wxID_ALLSAMPLELOAD)
     G2frame.Bind(wx.EVT_MENU, OnRescaleAll, id=G2G.wxID_RESCALEALL)
     if histName[:4] in ['SASD','REFD','PWDR']: