Changeset 3222 for trunk/GSASIIphsGUI.py

Timestamp:

Jan 13, 2018 9:39:52 AM (6 years ago)

Author:

vondreele

Message:

fix missing SGGray in incommensurate structures

File:

• trunk/GSASIIphsGUI.py (modified) (2 diffs)

trunk/GSASIIphsGUI.py

@@ -2204 +2204 @@
         if 'SGFixed' not in generalData['SGData']:
             generalData['SGData']['SGFixed'] = False
+        if 'SGGray' not in generalData['SGData']:
+            generalData['SGData']['SGGray'] = False
         
         if generalData['Type'] == 'magnetic':
@@ -3256 +3258 @@
                     XYZ = np.array(atomData[ind][cx:cx+3])
                     XYZ = np.inner(M,XYZ)+T
-                    if Inv:
+                    if Inv and not SGData['SGFixed']:
                         XYZ = -XYZ
                     XYZ = XYZ+cent+Cell