Changeset 2875 for trunk/GSASIIphsGUI.py

Timestamp:

Jun 25, 2017 2:52:51 PM (6 years ago)

Author:

toby

Message:

Allow space group entry by number; move SGMessageBox to GSASIIctrls

File:

• trunk/GSASIIphsGUI.py (modified) (5 diffs)

trunk/GSASIIphsGUI.py

@@ -451 +451 @@
 used (not recommended when alpha >> 120 or << 60, due to correlation.)
 
+For standard settings of space groups, space group numbers (1-230) can alternately
+be entered.
+
 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" and "P 1 1 21/a"
@@ -459 +462 @@
 '''
                 dlg = G2G.SingleStringDialog(General,'Get Space Group',
-                    '  Input the space group with spaces between axial fields  \n  (e.g. p 21/c, P 63/m m c, P 4/m m m',
+                    '  Input the space group with spaces between axial fields  \n  (e.g. p 21/c, P 63/m m c, P 4/m m m) or enter a space\n  group number between 1 and 230.',
                     value=generalData['SGData']['SpGrp'],help=helptext)
                 if not dlg.Show():
@@ -465 +468 @@
                     return
                 else:
-                    Flds = dlg.GetValue().split()
-                    dlg.Destroy()
-                #get rid of extra spaces between fields first
-                for fld in Flds: fld = fld.strip()
-                SpcGp = ' '.join(Flds)
+                    try:
+                        # has a space group number been input?
+                        spcnum = int(dlg.GetValue())
+                        if 1 <= spcnum <= 230:
+                            SpcGp = G2spc.spgbyNum[spcnum]
+                        else:
+                            msg = 'Space Group Error'
+                            Style = wx.ICON_EXCLAMATION
+                            wx.MessageBox('Invalid space group number',caption=msg,style=Style)
+                            return
+                    except:
+                        #get rid of extra spaces between fields first
+                        Flds = dlg.GetValue().split()
+                        for fld in Flds: fld = fld.strip()
+                        SpcGp = ' '.join(Flds)
+                    finally:
+                        dlg.Destroy()
                 # try a lookup on the user-supplied name
                 SpGrpNorm = G2spc.StandardizeSpcName(SpcGp)
@@ -488 +503 @@
                     SGTxt.SetLabel(generalData['SGData']['SpGrp'])
                     msg = 'Space Group Information'
-                    G2gd.SGMessageBox(General,msg,text,table).Show()
+                    G2G.SGMessageBox(General,msg,text,table).Show()
                 if generalData['Type'] == 'magnetic':
                     Nops = len(SGData['SGOps'])*len(SGData['SGCen'])
@@ -891 +906 @@
                     generalData['SuperSg'] = SSymbol
                     msg = 'Superspace Group Information'
-                    G2gd.SGMessageBox(General,msg,text,table).Show()
+                    G2G.SGMessageBox(General,msg,text,table).Show()
                 else:
                     text = [E+'\nSuperspace Group set to previous']