Changeset 2298

Timestamp:

May 27, 2016 2:48:22 PM (8 years ago)

Author:

vondreele

Message:

Add stubs for BondDialog? & AngleDialog? for adding these to Seq results table
Add menu items for above
fix a bug in showing seq results
revert the occurrence counter for image integrations
capture bad pids in OnPageChanged?

Location:

trunk

Files:

• GSASIIIO.py (modified) (1 diff)
• GSASIIexprGUI.py (modified) (1 diff)
• GSASIIgrid.py (modified) (5 diffs)
• GSASIIplot.py (modified) (1 diff)

trunk/GSASIIIO.py

@@ -902 +902 @@
                     nOcc += 1
                 item, cookie = G2frame.PatternTree.GetNextChild(G2frame.root, cookie)
-            Aname += '(%3d)'%(nOcc)
+            if nOcc:
+                Aname += '(%d)'%(nOcc)
         Sample = G2pdG.SetDefaultSample()
         Sample['Gonio. radius'] = data['distance']

trunk/GSASIIexprGUI.py

@@ -676 +676 @@
         self.OKbtn.Enable()
         if self.ExtraBtn: self.ExtraBtn.Enable()
+            
+#==========================================================================
+#class BondDialog(wx.Dialog):
+    '''A wx.Dialog that allows a user to select a bond length to be evaluated.
+    What needs to be done here? Need phase info for atoms
+    0. Select phase
+    1. Select 1st atom from dialog
+    2. Find neighbors & select one from dialog
+    3. Set up distance equation & save it - has to look like result from Show in above ExpressionDialog        
+    Use existing bond & esd calculate routines
+    '''
+#==========================================================================
+#class AngleDialog(wx.Dialog):
+    '''A wx.Dialog that allows a user to select a bond angle to be evaluated.
+    What needs to be done here? Need phase info for atom
+    0. Select phase
+    1. Select 1st atom from dialog
+    2. Find neighbors & select two from dialog
+    3. Set up angle equation & save it - has to look like result from Show in above ExpressionDialog        
+    Use existing angle & esd calculate routines
+    '''
         
 if __name__ == "__main__":

trunk/GSASIIgrid.py

@@ -136 +136 @@
 [ wxID_RENAMESEQSEL,wxID_SAVESEQSEL,wxID_SAVESEQSELCSV,wxID_SAVESEQCSV,wxID_PLOTSEQSEL,
   wxID_ORGSEQSEL,wxADDSEQVAR,wxDELSEQVAR,wxEDITSEQVAR,wxCOPYPARFIT,wxID_AVESEQSEL,
-  wxADDPARFIT,wxDELPARFIT,wxEDITPARFIT,wxDOPARFIT,
-] = [wx.NewId() for item in range(15)]
+  wxADDPARFIT,wxDELPARFIT,wxEDITPARFIT,wxDOPARFIT,wxADDSEQDIST,wxADDSEQANGLE
+] = [wx.NewId() for item in range(17)]
 
 [ wxID_MODELCOPY,wxID_MODELFIT,wxID_MODELADD,wxID_ELEMENTADD,wxID_ELEMENTDELETE,
@@ -1464 +1464 @@
             help='Add a new pseudo-variable')
         self.SequentialPvars.Append(
+            id=wxADDSEQDIST, kind=wx.ITEM_NORMAL,text='Add dist',
+            help='Add a new bond distance pseudo-variable')
+        self.SequentialPvars.Append(
+            id=wxADDSEQANGLE, kind=wx.ITEM_NORMAL,text='Add angle',
+            help='Add a new bond angle pseudo-variable')
+        self.SequentialPvars.Append(
             id=wxDELSEQVAR, kind=wx.ITEM_NORMAL,text='Delete',
             help='Delete an existing pseudo-variable')
@@ -2753 +2759 @@
             Controls['SeqPseudoVars'][calcobj.eObj.expression] = obj
             UpdateSeqResults(G2frame,data,G2frame.dataDisplay.GetSize()) # redisplay variables
-
+            
+    def AddNewDistPseudoVar(event):
+        print 'Add bond distance pseudo-variable here - TBD'
+#        dlg = G2exG.BondDialog(
+#            G2frame.dataDisplay,PSvarDict,
+#            header='Select a Bond here',
+#            VarLabel = "New Bond",
+#            fit=False)
+#        obj = dlg.Show(True)
+#        dlg.Destroy()
+#        if obj:
+#            calcobj = G2obj.ExpressionCalcObj(obj)
+#            Controls['SeqPseudoVars'][calcobj.eObj.expression] = obj
+#            UpdateSeqResults(G2frame,data,G2frame.dataDisplay.GetSize()) # redisplay variables
+
+    def AddNewAnglePseudoVar(event):
+        print 'Add bond angle pseudo-variable here - TBD'
+#        dlg = G2exG.AngleDialog(
+#            G2frame.dataDisplay,PSvarDict,
+#            header='Enter an Angle here',
+#            VarLabel = "New Angle",
+#            fit=False)
+#        obj = dlg.Show(True)
+#        dlg.Destroy()
+#        if obj:
+#            calcobj = G2obj.ExpressionCalcObj(obj)
+#            Controls['SeqPseudoVars'][calcobj.eObj.expression] = obj
+#            UpdateSeqResults(G2frame,data,G2frame.dataDisplay.GetSize()) # redisplay variables
     def UpdateParmDict(parmDict):
         '''generate the atom positions and the direct & reciprocal cell values,
@@ -3181 +3214 @@
     G2frame.dataFrame.Bind(wx.EVT_MENU, OnReOrgSelSeq, id=wxID_ORGSEQSEL)
     G2frame.dataFrame.Bind(wx.EVT_MENU, AddNewPseudoVar, id=wxADDSEQVAR)
+    G2frame.dataFrame.Bind(wx.EVT_MENU, AddNewDistPseudoVar, id=wxADDSEQDIST)
+    G2frame.dataFrame.Bind(wx.EVT_MENU, AddNewAnglePseudoVar, id=wxADDSEQANGLE)
     G2frame.dataFrame.Bind(wx.EVT_MENU, DelPseudoVar, id=wxDELSEQVAR)
     G2frame.dataFrame.Bind(wx.EVT_MENU, EditPseudoVar, id=wxEDITSEQVAR)
@@ -3382 +3417 @@
     # Make dict needed for creating & editing pseudovars (PSvarDict).
     name = histNames[0]
-    parmDict = data[name].get('parmDict')
+    parmDict = data[name].get('parmDict',{})
     PSvarDict = parmDict.copy()
     PSvarDict.update(sampleParms)

trunk/GSASIIplot.py

@@ -276 +276 @@
             treeItems, tabname = self.treeItem[tabLabel]
             pid = self.G2frame.root
-            for item in treeItems:
-                pid = G2gd.GetPatternTreeItemId(self.G2frame, pid, item)
-            wx.CallLater(100,self.InvokeTreeItem,pid)
+            try:
+                for item in treeItems:
+                    pid = G2gd.GetPatternTreeItemId(self.G2frame, pid, item)
+                wx.CallLater(100,self.InvokeTreeItem,pid)
+            except TypeError:
+                pass
         else:
             print 'OnPageChanged: not found:',tabLabel