Changeset 1602

Timestamp:

Dec 10, 2014 10:55:52 AM (8 years ago)

Author:

vondreele

Message:

fix SaveIntegration? - wrong default for Index Peaks List
add some more ortho ss space group symbols

Location:

trunk

Files:

• GSASIIIO.py (modified) (1 diff)
• GSASIIspc.py (modified) (2 diffs)

trunk/GSASIIIO.py

@@ -1067 +1067 @@
             G2frame.PatternTree.SetItemPyData(G2frame.PatternTree.AppendItem(Id,text='Sample Parameters'),Sample)
             G2frame.PatternTree.SetItemPyData(G2frame.PatternTree.AppendItem(Id,text='Peak List'),{'sigDict':{},'peaks':[]})
-            G2frame.PatternTree.SetItemPyData(G2frame.PatternTree.AppendItem(Id,text='Index Peak List'),{'sigDict':{},'peaks':[]})
+            G2frame.PatternTree.SetItemPyData(G2frame.PatternTree.AppendItem(Id,text='Index Peak List'),[[],[]]})
             G2frame.PatternTree.SetItemPyData(G2frame.PatternTree.AppendItem(Id,text='Unit Cells List'),[])
             G2frame.PatternTree.SetItemPyData(G2frame.PatternTree.AppendItem(Id,text='Reflection Lists'),{})

trunk/GSASIIspc.py

@@ -2193 +2193 @@
     'P c a a':[],
 #55        
-    'P b a m':[],
-    'P m c b':[],
-    'P c m a':[],
+    'P b a m':['(00g)','(00g)s00','(00g)0s0','(00g)ss0',
+        '(a00)','(a00)00s','(a01/2)','(0b0)','(0b0)00s','(0b1/2)'],
+    'P m c b':['(a00)','(a00)0s0','(a00)00s','(a00)0ss',
+        '(0b0)','(0b0)s00','(1/2b0)','(00g)','(00g)s00','(1/20g)'],
+    'P c m a':['(0b0)','(0b0)s00','(0b0)00s','(0b0)s0s',
+        '(a00)','(a00)0s0','(a1/20)','(00g)','(00g)0s0','(01/2g)'],
 #56        
-    'P c c n':['(00g)','(00g)s00','(00g)0s0','(00g)ss0','(a00)','(a00)0s0',
-        '(a00)00s','(a00)0ss','(0b0)','(0b0)s00','(0b0)00s','(0b0)s0s'],
-    'P n a a':['(00g)','(00g)s00','(00g)0s0','(00g)ss0','(a00)','(a00)0s0',
-        '(a00)00s','(a00)0ss','(0b0)','(0b0)s00','(0b0)00s','(0b0)s0s'],
-    'P b n b':['(00g)','(00g)s00','(00g)0s0','(00g)ss0','(a00)','(a00)0s0',
-        '(a00)00s','(a00)0ss','(0b0)','(0b0)s00','(0b0)00s','(0b0)s0s'],
+    'P c c n':['(00g)','(00g)s00','(00g)0s0','(a00)','(a00)0s0',
+        '(0b0)','(0b0)s00'],
+    'P n a a':['(a00)','(a00)0s0','(a00)00s','(0b0)','(0b0)00s',
+        '(00g)','(00g)0s0'],
+    'P b n b':['(0b0)','(0b0)s00','(0b0)00s','(a00)','(a00)00s',
+        '(00g)','(00g)s00'],
 #57        
     'P b c m':[],
@@ -2211 +2214 @@
     'P m a b':[],
 #58        
-    'P n n m':['(00g)','(00g)s00','(00g)0s0','(00g)ss0','(a00)','(a00)0s0',
-        '(a00)00s','(a00)0ss','(0b0)','(0b0)s00','(0b0)00s','(0b0)s0s'],
-    'P m n n':['(00g)','(00g)s00','(00g)0s0','(00g)ss0','(a00)','(a00)0s0',
-        '(a00)00s','(a00)0ss','(0b0)','(0b0)s00','(0b0)00s','(0b0)s0s'],
-    'P n m n':['(00g)','(00g)s00','(00g)0s0','(00g)ss0','(a00)','(a00)0s0',
-        '(a00)00s','(a00)0ss','(0b0)','(0b0)s00','(0b0)00s','(0b0)s0s'],
+    'P n n m':['(00g)','(00g)s00','(00g)0s0','(a00)',
+        '(a00)00s','(0b0)','(0b0)00s'],
+    'P m n n':['(00g)','(00g)s00','(a00)','(a00)0s0',
+        '(a00)00s','(0b0)','(0b0)s00'],
+    'P n m n':['(00g)','(00g)0s0','(a00)','(a00)0s0',
+        '(0b0)','(0b0)s00','(0b0)00s',],
 #59 o@i
-    'P m m n':[],
-    'P n m m':[],
-    'P m n m':[],
+    'P m m n':['(00g)','(00g)s00','(00g)0s0','(00g)ss0','(a00)','(a00)0s0',
+        '(a01/2)','(a01/2)0s0','(0b0)','(0b0)s00','(0b1/2)','(0b1/2)s00',],
+    'P n m m':['(a00)','(a00)0s0','(a00)00s','(a00)0ss','(00g)','(00g)0s0',
+        '(1/20g)','(1/20g)0s0','(0b0)','(0b0)00s','(1/2b0)','(1/2b0)00s'],
+    'P m n m':['(0b0)','(0b0)s00','(0b0)00s','(0b0)s0s','(00g)','(00g)s00',
+        '(01/2g)','(01/2g)s00','(a00)','(a00)00s','(a1/20)','(a1/20)00s'],
 #60        
-    'P b c n':['(00g)','(00g)s00','(00g)0s0','(00g)ss0','(a00)','(a00)0s0',
-        '(a00)00s','(a00)0ss','(0b0)','(0b0)s00','(0b0)00s','(0b0)s0s'],
-    'P n c a':['(00g)','(00g)s00','(00g)0s0','(00g)ss0','(a00)','(a00)0s0',
-        '(a00)00s','(a00)0ss','(0b0)','(0b0)s00','(0b0)00s','(0b0)s0s'],
-    'P b n a':['(00g)','(00g)s00','(00g)0s0','(00g)ss0','(a00)','(a00)0s0',
-        '(a00)00s','(a00)0ss','(0b0)','(0b0)s00','(0b0)00s','(0b0)s0s'],
-    'P c n b':['(00g)','(00g)s00','(00g)0s0','(00g)ss0','(a00)','(a00)0s0',
-        '(a00)00s','(a00)0ss','(0b0)','(0b0)s00','(0b0)00s','(0b0)s0s'],
-    'P c a n':['(00g)','(00g)s00','(00g)0s0','(00g)ss0','(a00)','(a00)0s0',
-        '(a00)00s','(a00)0ss','(0b0)','(0b0)s00','(0b0)00s','(0b0)s0s'],
-    'P n a b':['(00g)','(00g)s00','(00g)0s0','(00g)ss0','(a00)','(a00)0s0',
-        '(a00)00s','(a00)0ss','(0b0)','(0b0)s00','(0b0)00s','(0b0)s0s'],
+    'P b c n':['(00g)','(00g)s00','(00g)0s0','(a00)','(a00)0s0',
+        '(a00)00s','(0b0)','(0b0)s00','(0b0)00s'],
+    'P n c a':['(00g)','(00g)s00','(00g)0s0','(a00)','(a00)0s0',
+        '(a00)00s','(0b0)','(0b0)s00','(0b0)00s'],
+    'P b n a':['(00g)','(00g)s00','(00g)0s0','(a00)','(a00)0s0',
+        '(a00)00s','(0b0)','(0b0)s00','(0b0)00s'],
+    'P c n b':['(00g)','(00g)s00','(00g)0s0','(a00)','(a00)0s0',
+        '(a00)00s','(0b0)','(0b0)s00','(0b0)00s'],
+    'P c a n':['(00g)','(00g)s00','(00g)0s0','(a00)','(a00)0s0',
+        '(a00)00s','(0b0)','(0b0)s00','(0b0)00s'],
+    'P n a b':['(00g)','(00g)s00','(00g)0s0','(a00)','(a00)0s0',
+        '(a00)00s','(0b0)','(0b0)s00','(0b0)00s'],
 #61        
-    'P b c a':[],
-    'P c a b':[],
+    'P b c a':['(00g)','(00g)s00','(00g)0s0','(a00)','(a00)0s0','(a00)00s',
+        '(0b0)','(0b0)s00','(0b0)00s'],
+    'P c a b':['(00g)','(00g)s00','(00g)0s0','(a00)','(a00)0s0','(a00)00s',
+        '(0b0)','(0b0)s00','(0b0)00s'],
 #62        
-    'P n m a':['(00g)','(00g)s00','(00g)0s0','(00g)ss0','(a00)','(a00)0s0',
-        '(a00)00s','(a00)0ss','(0b0)','(0b0)s00','(0b0)00s','(0b0)s0s'],
-    'P b n m':['(00g)','(00g)s00','(00g)0s0','(00g)ss0','(a00)','(a00)0s0',
-        '(a00)00s','(a00)0ss','(0b0)','(0b0)s00','(0b0)00s','(0b0)s0s'],
-    'P m c n':['(00g)','(00g)s00','(00g)0s0','(00g)ss0','(a00)','(a00)0s0',
-        '(a00)00s','(a00)0ss','(0b0)','(0b0)s00','(0b0)00s','(0b0)s0s'],
-    'P n a m':['(00g)','(00g)s00','(00g)0s0','(00g)ss0','(a00)','(a00)0s0',
-        '(a00)00s','(a00)0ss','(0b0)','(0b0)s00','(0b0)00s','(0b0)s0s'],
-    'P m n b':['(00g)','(00g)s00','(00g)0s0','(00g)ss0','(a00)','(a00)0s0',
-        '(a00)00s','(a00)0ss','(0b0)','(0b0)s00','(0b0)00s','(0b0)s0s'],
-    'P c m n':['(00g)','(00g)s00','(00g)0s0','(00g)ss0','(a00)','(a00)0s0',
-        '(a00)00s','(a00)0ss','(0b0)','(0b0)s00','(0b0)00s','(0b0)s0s'],
+    'P n m a':['(00g)','(00g)0s0','(a00)','(a00)0s0','(0b0)','(0b0)00s'],
+    'P b n m':['(00g)','(00g)s00','(a00)','(a00)00s','(0b0)','(0b0)00s'],
+    'P m c n':['(00g)','(00g)s00','(a00)','(a00)0s0','(0b0)','(0b0)s00'],
+    'P n a m':['(00g)','(00g)0s0','(a00)','(a00)00s','(0b0)','(0b0)00s'],
+    'P m n b':['(00g)','(00g)s00','(a00)','(a00)00s','(0b0)','(0b0)s00'],
+    'P c m n':['(00g)','(00g)0s0','(a00)','(a00)0s0','(0b0)','(0b0)s00'],
 #63
     'C m c m':[],