Changeset 1956 for trunk/GSASII.py

Timestamp:

Aug 12, 2015 1:30:41 PM (8 years ago)

Author:

vondreele

Message:

fix (again) fill unit cell, dynamic SS drawing & GenAtom? issues - now all OK
fixes to get SS structure factors to compute & twins in SS data issues

File:

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

trunk/GSASII.py

@@ -697 +697 @@
                             H = hkl
                         ref[4+Super] = np.sqrt(1./G2lat.calc_rDsq2(H,G))
-                        iabsnt,ref[3+Super],Uniq,phi = G2spc.GenHKLf(H,SGData)
+                        iabsnt = G2spc.GenHKLf(H,SGData)[0]
                         if iabsnt:  #flag space gp. absences
-                            ref[3+Super] = 0
+                            if Super: 
+                                if not ref[2+Super]:
+                                    ref[3+Super] = 0
+                                else:
+                                    ref[3+Super] = 1    #twin id?
+                            else:
+                                ref[3] = 0
                     UseList[histoName] = SetDefaultDData(reflData['Type'],histoName)
                 elif histoName in PWDRlist:
@@ -852 +858 @@
                     iabsnt,mul,Uniq,phi = G2spc.GenHKLf(H,SGData)
                     if iabsnt:  #flag space gp. absences
-                        ref[3+Super] = 0
+                        if Super: 
+                            if not ref[2+Super]:
+                                ref[3+Super] = 0
+                            else:
+                                ref[3+Super] = 1    #twin id?
+                        else:
+                            ref[3] = 0
         wx.EndBusyCursor()