Changeset 2806

Timestamp:

Apr 24, 2017 10:49:46 AM (6 years ago)

Author:

toby

Message:

Revise space group entry

Location:

trunk

Files:

• GSASIIctrls.py (modified) (2 diffs)
• GSASIIphsGUI.py (modified) (4 diffs)

trunk/GSASIIctrls.py

@@ -2103 +2103 @@
     :param str value: default input value, if any
     '''
-    def __init__(self,parent,title,prompt,value='',size=(200,-1)):
+    def __init__(self,parent,title,prompt,value='',size=(200,-1),help=''):
         wx.Dialog.__init__(self,parent,wx.ID_ANY,title, 
                            pos=wx.DefaultPosition,
@@ -2112 +2112 @@
         self.panel = wx.Panel(self)
         mainSizer = wx.BoxSizer(wx.VERTICAL)
+        if help:
+            sizer1 = wx.BoxSizer(wx.HORIZONTAL)   
+            sizer1.Add((-1,-1),1, wx.EXPAND, 0)
+            sizer1.Add(HelpButton(self.panel,help),0,wx.ALIGN_RIGHT|wx.ALL)
+            mainSizer.Add(sizer1,0,wx.ALIGN_RIGHT|wx.EXPAND)
         mainSizer.Add(wx.StaticText(self.panel,-1,self.prompt),0,wx.ALIGN_CENTER)
         self.valItem = wx.TextCtrl(self.panel,-1,value=self.value,size=size)

trunk/GSASIIphsGUI.py

@@ -435 +435 @@
                 
             def OnSpaceGroup(event):
-                event.Skip()
-                Flds = SGTxt.GetValue().split()
+                helptext = '''\t\t\tGSAS-II space group information
+                
+Space groups are entered here as given in Volume A of the International Tables,
+except that spaces are placed between operators (e.g. "P 4/m m m" or "P -3 1 m").
+
+Where a centrosymmetric space group has alternate origin settings, Origin 2 (with
+the center of symmetry at the origin, which gives a -x,-y,-z symmetry operator) is
+always used.
+
+For rhombohedral space groups, (R xxx) the hexagonal setting is assumed. Append a
+final R to the name (R xxx R) to indicate that a rhombohedral cell should be
+used (not recommended when alpha >> 120, due to correlation.)
+
+GSAS-II will accept non-standard settings of space groups. For example, space
+group "P -1" can be set to include face centering, using symbol "F -1".
+
+Review the symmetry operators generated by GSAS-II to confirm that you have
+entered the right symbol for your structure.
+'''
+                dlg = G2G.SingleStringDialog(General,
+                                          'Get Space Group',
+                                          'Input the space group with spaces between operators (e.g. P 4/m m m)',
+                                          value=generalData['SGData']['SpGrp'],help=helptext)
+                if not dlg.Show():
+                    dlg.Destroy()
+                    return
+                else:
+                    Flds = dlg.GetValue().split()
+                    dlg.Destroy()
                 #get rid of extra spaces between fields first
                 for fld in Flds: fld = fld.strip()
@@ -448 +475 @@
                 if SGErr:
                     text = [G2spc.SGErrors(SGErr)+'\nSpace Group set to previous']
-                    SGTxt.SetValue(generalData['SGData']['SpGrp'])
+                    SGTxt.SetLabel(generalData['SGData']['SpGrp'])
                     msg = 'Space Group Error'
                     Style = wx.ICON_EXCLAMATION
@@ -456 +483 @@
                     text,table = G2spc.SGPrint(SGData)
                     generalData['SGData'] = SGData
-                    SGTxt.SetValue(generalData['SGData']['SpGrp'])
+                    SGTxt.SetLabel(generalData['SGData']['SpGrp'])
                     msg = 'Space Group Information'
                     G2gd.SGMessageBox(General,msg,text,table).Show()
@@ -529 +556 @@
             nameSizer.Add(TypeTxt,0,WACV)
             nameSizer.Add(wx.StaticText(General,-1,'  Space group: '),0,WACV)
-            SGTxt = wx.TextCtrl(General,-1,value=generalData['SGData']['SpGrp'],style=wx.TE_PROCESS_ENTER)
-            SGTxt.Bind(wx.EVT_TEXT_ENTER,OnSpaceGroup)
+            SGTxt = wx.Button(General,wx.ID_ANY,generalData['SGData']['SpGrp'],size=(100,-1))
+            SGTxt.Bind(wx.EVT_BUTTON,OnSpaceGroup)
             nameSizer.Add(SGTxt,0,WACV)
             if generalData['Type'] in ['nuclear','magnetic']: