Changeset 5127

Timestamp:

Jan 7, 2022 3:17:14 PM (21 months ago)

Author:

toby

Message:

misc CIF fixes (init block name; stop save of default template file name)

Location:

trunk

Files:

• GSASIIIO.py (modified) (2 diffs)
• exports/G2export_CIF.py (modified) (6 diffs)

trunk/GSASIIIO.py

@@ -1554 +1554 @@
         self.SeqRefdata = None
         self.SeqRefhist = None
+        self.DelayOpen = False
         if self.G2frame.GPXtree.IsEmpty(): return # nothing to do
         histType = None        
@@ -1770 +1771 @@
             return
         if self.fp is None:
-            raise Exception('Attempt to CloseFile without use of OpenFile')
+            if GSASIIpath.GetConfigValue('debug'): 
+                raise Exception('Attempt to CloseFile without use of OpenFile')
+            else:
+                print('Attempt to CloseFile without use of OpenFile')
+                return
         if self.fp == sys.stdout: return # debug mode
         if fp is None:

trunk/exports/G2export_CIF.py

@@ -4519 +4519 @@
 
         WriteCIFitem(self.fp, '#--' + 15*'eof--' + '#')
-        print("...export completed")
-        print('file '+self.fullpath)
+        print("...export completed. File created:",self.fullpath)
         # end of CIF export
 
@@ -4541 +4540 @@
         self.Controls = Controls
         self.InitExport(event)
+        self.CIFname = ''
         # load all of the tree into a set of dicts
         self.loadTree()
@@ -5171 +5171 @@
                      defaultname='', cifKey="CIF_template"):
         def _onResetTemplate(event):
-            self.CIF = None
-            self.dict[self.cifKey] = resetTemplate
+            self.CIF_template = resetTemplate
+            self.dict[self.cifKey] = None
             wx.CallAfter(self.repaint)
         wx.BoxSizer.__init__(self,wx.VERTICAL)
@@ -5213 +5213 @@
                 localTemplate = fil
                 break
-
-        if G2dict.get(self.cifKey) == localTemplate and localTemplate:
-            self.CIF = localTemplate
-            CIFtxt = "Customized template: "+os.path.split(self.CIF)[1]
-        elif G2dict.get(self.cifKey) == resetTemplate and resetTemplate:
-            self.CIF = resetTemplate
-            CIFtxt = "Default template: "+os.path.split(self.CIF)[1]
-        elif not G2dict.get(self.cifKey): # empty or None
-            if localTemplate:
-                G2dict[self.cifKey] = self.CIF = localTemplate
-                CIFtxt = "Customized template: "+os.path.split(self.CIF)[1]
-            elif resetTemplate:
-                G2dict[self.cifKey] = self.CIF = resetTemplate
-                CIFtxt = "Default template: "+os.path.split(self.CIF)[1]
+        repeat = True
+        while repeat:
+            repeat = False
+            if G2dict.get(self.cifKey) == localTemplate and localTemplate:
+                self.CIF_template = localTemplate
+                CIFtxt = "Customized template: "+os.path.split(self.CIF_template)[1]
+            elif resetTemplate and G2dict.get(self.cifKey) == resetTemplate:
+                self.CIF_template = resetTemplate
+                CIFtxt = "Default template: "+os.path.split(self.CIF_template)[1]
+            elif not G2dict.get(self.cifKey): # empty or None
+                if localTemplate:
+                    G2dict[self.cifKey] = self.CIF_template = localTemplate
+                    CIFtxt = "Customized template: "+os.path.split(self.CIF_template)[1]
+                elif resetTemplate:
+                    G2dict[self.cifKey] = None
+                    self.CIF_template = resetTemplate
+                    CIFtxt = "Default template: "+os.path.split(self.CIF_template)[1]
+                else:
+                    G2dict[self.cifKey] = self.CIF_template = None
+                    CIFtxt = "none (Template not found!)"
+            elif type(G2dict[self.cifKey]) is not list and type(
+                    G2dict[self.cifKey]) is not tuple:
+                if not os.path.exists(G2dict[self.cifKey]):
+                    print("\nWarning: previous template file:\n  ",
+                              os.path.abspath(G2dict[self.cifKey]),
+                              '\nwas not found! Was this file moved or deleted? Resetting to default.')
+                    self.CIF_template = None
+                    CIFtxt = "none! (file not found)"
+                    if resetTemplate:
+                        G2dict[self.cifKey] = None
+                        repeat = True
+                        continue
+                else:
+                    CIFtxt = "Edited template: "+os.path.split(G2dict[self.cifKey])[1]
+                    if GSASIIpath.GetConfigValue('debug'):
+                        print('Template file found',os.path.abspath(G2dict[self.cifKey]))
             else:
-                G2dict[self.cifKey] = self.CIF = None
-                CIFtxt = "none (Template not found!)"
-        elif type(G2dict[self.cifKey]) is not list and type(
-                G2dict[self.cifKey]) is not tuple:
-            if not os.path.exists(G2dict[self.cifKey]):
-                print("Warning: saved template file,",
-                          os.path.abspath(G2dict[self.cifKey]),
-                          ' not found!\nWas this file moved or deleted?')
-                self.CIF = None
-                CIFtxt = "none! (file not found)"
-                if resetTemplate:
-                    G2dict[self.cifKey] = None
-                    wx.CallLater(100,self.repaint)
-                    return
-            else:
-                CIFtxt = "Edited template: "+os.path.split(G2dict[self.cifKey])[1]
-                if GSASIIpath.GetConfigValue('debug'):
-                    print('Template file found',os.path.abspath(G2dict[self.cifKey]))
-        else:
-            self.CIF = G2dict[self.cifKey]
-            CIFtxt = "Customized template is reloaded"
+                self.CIF_template = G2dict[self.cifKey]
+                CIFtxt = "Customized template is reloaded"
         # show template source
         self.Add(wx.StaticText(panel,wx.ID_ANY,CIFtxt))
@@ -5258 +5261 @@
         but = wx.Button(panel,wx.ID_ANY,"Edit Template")
         but.Bind(wx.EVT_BUTTON,self._onEditTemplateContents)
-        if self.CIF is None: but.Disable() # nothing to edit!
+        if self.CIF_template is None: but.Disable() # nothing to edit!
         if resetTemplate and not CIFtxt.startswith('Default'):
             hbox.Add(but,0,0,2)
@@ -5289 +5292 @@
     def _onEditTemplateContents(self,event):
         'Called to edit the contents of a CIF template'
-        if type(self.CIF) is list or  type(self.CIF) is tuple:
-            dblk,loopstructure = copy.deepcopy(self.CIF) # don't modify original
+        if type(self.CIF_template) is list or  type(self.CIF_template) is tuple:
+            dblk,loopstructure = copy.deepcopy(self.CIF_template) # don't modify original
         else:
-            cf = G2obj.ReadCIF(self.CIF)
+            cf = G2obj.ReadCIF(self.CIF_template)
             dblk,loopstructure = CIF2dict(cf)
         dlg = EditCIFtemplate(self.cifdefs,dblk,loopstructure,self.defaultname)