Changeset 4829 for trunk

Timestamp:

Feb 25, 2021 5:16:59 PM (2 years ago)

Author:

toby

Message:

minor bugs: site sym for wrong RB; GUI stuff; force RB edit before refinement

Location:

trunk

Files:

• GSASIIdataGUI.py (modified) (1 diff)
• GSASIIphsGUI.py (modified) (3 diffs)
• GSASIIstrIO.py (modified) (1 diff)

trunk/GSASIIdataGUI.py

@@ -4555 +4555 @@
                     wx.YES|wx.NO|wx.CANCEL)
             try:
+                dlg.CenterOnParent()
                 result = dlg.ShowModal()
             finally:

trunk/GSASIIphsGUI.py

@@ -9960 +9960 @@
                 RBObj['Orig'][0] = list(RBObj['Orig'][0])
             topSizer.Add(wx.StaticText(RigidBodies,-1,'Origin x,y,z (frac)'),0,WACV)
+            topSizer.Add((-1,-1))
             for ix in range(3):
                 origX = G2G.ValidatedTxtCtrl(RigidBodies,RBObj['Orig'][0],ix,nDig=(8,5),
@@ -9986 +9987 @@
             Qcheck.SetValue(RBObj['Orient'][1])
             topSizer.Add(Qcheck,0,WACV)
-            Sytsym,Mult = G2spc.SytSym(rbObj['Orig'][0],SGData)[:2]
+            Sytsym,Mult = G2spc.SytSym(RBObj['Orig'][0],SGData)[:2]
             sytsymtxt = wx.StaticText(RigidBodies,label='Origin site symmetry: %s, multiplicity: %d '%(Sytsym,Mult))
             rbSizer.Add(topSizer)
@@ -10071 +10072 @@
             for Id in RBObj['Ids']:
                 members += data['Atoms'][AtLookUp[Id]][ct-1].strip()+', '
-            resrbSizer.Add(wx.StaticText(RigidBodies,label=members[:-2]),0,WACV)
+            resrbSizer.Add(wx.StaticText(RigidBodies,label=members[:-2]),0)
             fracSizer = wx.BoxSizer(wx.HORIZONTAL)
             fracSizer.Add(wx.StaticText(RigidBodies,label='Rigid Body atom site fraction: '))

trunk/GSASIIstrIO.py

@@ -1363 +1363 @@
         
     def MakeRBParms(rbKey,phaseVary,phaseDict):
+        #### patch 2/24/21 BHT: new param, AtomFrac in RB
+        if 'AtomFrac' not in RB: raise Exception('out of date RB: edit in RB Models')
+        # end patch
         rbid = str(rbids.index(RB['RBId']))
         pfxRB = pfx+'RB'+rbKey+'P'