Changeset 4421 for trunk/GSASIIdataGUI.py

Timestamp:

May 16, 2020 8:55:12 AM (3 years ago)

Author:

toby

Message:

add R.B. extractor; misc doc updates; plt bug after strip Hs; grid bug: uncompleted edits; mac horz. line fix

File:

• trunk/GSASIIdataGUI.py (modified) (4 diffs)

trunk/GSASIIdataGUI.py

@@ -3772 +3772 @@
     def OnAddPhase(self,event):
         'Add a new, empty phase to the tree. Called by Data/Add Phase menu'
+        self.CheckNotebook()
         if not GetGPXtreeItemId(self,self.root,'Phases'):
             sub = self.GPXtree.AppendItem(parent=self.root,text='Phases')
@@ -5426 +5427 @@
         self.ResidueRBMenu = wx.Menu(title='')
         self.ResidueRBMenu.Append(G2G.wxID_RIGIDBODYIMPORT,'Import XYZ','Import rigid body XYZ from file')
-        self.ResidueRBMenu.Append(G2G.wxID_RIGIDBODYSAVE,'Save PDB','Save rigid body to PDB file')        
-        self.ResidueRBMenu.Append(G2G.wxID_RESIDUETORSSEQ,'Define sequence','Define torsion sequence')
+        G2G.Define_wxId('wxID_RIGIDBODYIMP')
+        self.ResidueRBMenu.Append(G2G.wxID_RIGIDBODYIMP,'Extract from file',
+                                'Extract rigid body from phase file')
+        self.ResidueRBMenu.Append(G2G.wxID_RIGIDBODYSAVE,'Save as PDB','Save rigid body to PDB file')        
+        self.ResidueRBMenu.Append(G2G.wxID_RESIDUETORSSEQ,'Define torsion','Define torsion sequence')
         self.ResidueRBMenu.Append(G2G.wxID_RIGIDBODYADD,'Import residues','Import residue rigid bodies from macro file')
+        G2G.Define_wxId('wxID_RESBODYSAV')
+        self.ResidueRBMenu.Append(G2G.wxID_RESBODYSAV,'Save rigid body','Write a rigid body to a file')
+        G2G.Define_wxId('wxID_RESBODYRD')
+        self.ResidueRBMenu.Append(G2G.wxID_RESBODYRD,'Read rigid body','Read a rigid body from a file')
         self.RigidBodyMenu.Append(menu=self.ResidueRBMenu, title='Edit Residue Body')
         self.PostfillDataMenu()
@@ -5437 +5445 @@
         self.VectorRBEdit.Append(G2G.wxID_VECTORBODYADD,'Add rigid body','Add vector rigid body')
         self.VectorBodyMenu.Append(menu=self.VectorRBEdit, title='Edit Vector Body')
+        G2G.Define_wxId('wxID_VECTORBODYIMP')
+        self.VectorRBEdit.Append(G2G.wxID_VECTORBODYIMP,'Extract from file',
+                                'Extract rigid body from phase file')
+        G2G.Define_wxId('wxID_VECTORBODYSAV')
+        self.VectorRBEdit.Append(G2G.wxID_VECTORBODYSAV,'Save rigid body','Write a rigid body to a file')
+        G2G.Define_wxId('wxID_VECTORBODYRD')
+        self.VectorRBEdit.Append(G2G.wxID_VECTORBODYRD,'Read rigid body','Read a rigid body from a file')
+        G2G.Define_wxId('wxID_VECTORBODYEXTD')
+        self.VectorRBEdit.Append(G2G.wxID_VECTORBODYEXTD,'Add translation',
+                                'Add translation to existing rigid body')
         self.PostfillDataMenu()
 
@@ -8386 +8404 @@
             if grid.IsCellEditControlEnabled(): # complete any grid edits in progress
                 if GSASIIpath.GetConfigValue('debug'): print ('Completing grid edit in%s'%str(grid))
+                grid.SaveEditControlValue()
+                # not sure if the next two things do anything
                 grid.HideCellEditControl()
                 grid.DisableCellEditControl()