Changeset 4856 for trunk

Timestamp:

Mar 18, 2021 7:32:55 PM (2 years ago)

Author:

toby

Message:

full CIF fixes

File:

• trunk/exports/G2export_CIF.py (modified) (15 diffs)

trunk/exports/G2export_CIF.py

@@ -1977 +1977 @@
             dlg.ShowModal()
 
-#=================================================================================
-#===== end of function definitions for _Exporter =================================
-#=================================================================================
+#==============================================================================
+####  _Exporter code starts here         ======================================
+#==============================================================================
         # make sure required information is present
         self.CIFdate = dt.datetime.strftime(dt.datetime.now(),"%Y-%m-%dT%H:%M")
@@ -2075 +2075 @@
         # create a dict with refined values and their uncertainties
         self.loadParmDict()
+        # is there anything to export?
+        if len(self.Phases) == len(self.powderDict) == len(self.xtalDict) == 0:
+           self.G2frame.ErrorDialog(
+               'Empty project',
+               'Project does not contain any data or phases. Are they interconnected?')
+           return
         if self.ExportSelect('ask'): return
         if not self.filename:
@@ -2088 +2094 @@
         #        print j
 
-        # is there anything to export?
-        if len(self.Phases) == len(self.powderDict) == len(self.xtalDict) == 0:
-           self.G2frame.ErrorDialog(
-               'Empty project',
-               'Project does not contain any data or phases. Are they interconnected?')
-           return
         self.quickmode = False # full CIF
         phasenam = None # include all phases
@@ -2171 +2171 @@
                 wx.OK|wx.CANCEL)
             ret = dlg.ShowModal()
+            dlg.CenterOnParent()
             dlg.Destroy()
             if ret != wx.ID_OK: return
@@ -2194 +2195 @@
             self.G2frame,
             style=wx.DEFAULT_DIALOG_STYLE | wx.RESIZE_BORDER)
+        self.cifdefs.G2frame = self.G2frame
+        self.cifdefs.CenterOnParent()
         EditCIFDefaults()
-        self.cifdefs.CenterOnParent()
         if self.cifdefs.ShowModal() != wx.ID_OK:
             self.cifdefs.Destroy()
@@ -2618 +2620 @@
     try:
         fil = os.path.splitext(fil)[0]+'.cpickle'
-        fp = open(fil,'w')
+        fp = open(fil,'wb')
         pickle.dump(cifdic,fp)
         fp.close()
@@ -2641 +2643 @@
             fil = os.path.join(loc,ftyp+".cpickle")
             if not os.path.exists(fil): continue
-            fp = open(fil,'r')
+            fp = open(fil,'rb')
             try:
                 cifdic.update(pickle.load(fp))
@@ -2700 +2702 @@
     '''
     blk = cf.keys()[0] # assume templates are a single CIF block, use the 1st
-    loopstructure = cf[blk].loopnames()[:] # copy over the list of loop contents
+    try:
+        loopstructure = cf[blk].loopnames()[:] # copy over the list of loop contents
+    except AttributeError:
+        loopstructure = [j[:] for j in cf[blk].loops.values()] # method replaced?
     dblk = {}
     for item in cf[blk].keys(): # make a copy of all the items in the block
@@ -2784 +2789 @@
         self.newfile = None
         self.defaultname = defaultname
+        self.G2frame = parent.G2frame
         global CIFdic  # once this is loaded, keep it around
         if CIFdic is None:
@@ -2876 +2882 @@
         self.parentOKbuttons = OKbuttons
         self.ValidatedControlsList = []
+        self.G2frame = parent.G2frame
         self._fill()
     def _fill(self):
@@ -2928 +2935 @@
                     df = self.cifdic[item].get('_definition')
                     if df:
-                        txt.SetToolTipString(G2IO.trim(df))
+                        try:
+                            txt.SetToolTip(G2IO.trim(df))
+                        except:
+                            txt.SetToolTipString(G2IO.trim(df))
                         but = CIFdefHelp(self,
                                          "Definition for "+item+":\n\n"+G2IO.trim(df),
@@ -2953 +2963 @@
                     df = self.cifdic[item].get('_definition')
                     if df:
-                        txt.SetToolTipString(G2IO.trim(df))
+                        try:
+                            txt.SetToolTip(G2IO.trim(df))
+                        except:
+                            txt.SetToolTipString(G2IO.trim(df))
                         but = CIFdefHelp(self,
                                          "Definition for "+item+":\n\n"+G2IO.trim(df),
@@ -3041 +3054 @@
                     if rng[1]: mx = hint(rng[1])
                     ent = G2G.ValidatedTxtCtrl(
-                        self,dct,item,typeHint=hint,min=mn,max=mx,
+                        self,dct,item,typeHint=hint,xmin=mn,xmax=mx,
                         CIFinput=True,ASCIIonly=True,
                         OKcontrol=self.ControlOKButton)
@@ -3077 +3090 @@
         self.dict = G2dict
         self.repaint = repaint
+        self.G2frame = frame.G2frame
         templateDefName = 'template_'+tmplate+'.cif'
         self.CIF = G2dict.get("CIF_template")
@@ -3146 +3160 @@
             defaultFile=self.defaultname,
             wildcard="CIF (*.cif)|*.cif",
-            style=wx.OPEN)
+            style=wx.FD_OPEN)
         ret = dlg.ShowModal()
         fil = dlg.GetPath()