Changeset 1622 for trunk/GSASIIpwdGUI.py

Timestamp:

Jan 5, 2015 1:02:33 PM (7 years ago)

Author:

vondreele

Message:

add 4D charge flipping - works to give 3D structure; only enabled for 4D data
fix problems with hkl limits in Fourier calcs. - see adjHKLmax
fix reflection table/2D & 3D display issues
disable MC/SA for 4D data

File:

• trunk/GSASIIpwdGUI.py (modified) (3 diffs)

trunk/GSASIIpwdGUI.py

@@ -2859 +2859 @@
         '''Plots a layer of reflections
         '''
+        phaseName = G2frame.RefList
+        pId = G2gd.GetPatternTreeItemId(G2frame,G2frame.root,'Phases')
+        phaseId =  G2gd.GetPatternTreeItemId(G2frame,pId,phaseName)
+        General = G2frame.PatternTree.GetItemPyData(phaseId)['General']
+        Super = General.get('Super',0)
+        SuperVec = General.get('SuperVec',[])
+        refList = np.array(data[phaseName]['RefList'])
         FoMax = np.max(refList.T[8+Super])
         Hmin = np.array([int(np.min(refList.T[0])),int(np.min(refList.T[1])),int(np.min(refList.T[2]))])
@@ -2869 +2876 @@
         '''Plots the reflections in 3D
         '''
+        phaseName = G2frame.RefList
+        pId = G2gd.GetPatternTreeItemId(G2frame,G2frame.root,'Phases')
+        phaseId =  G2gd.GetPatternTreeItemId(G2frame,pId,phaseName)
+        General = G2frame.PatternTree.GetItemPyData(phaseId)['General']
+        Super = General.get('Super',0)
+        SuperVec = General.get('SuperVec',[])
+        refList = np.array(data[phaseName]['RefList'])
         FoMax = np.max(refList.T[8+Super])
         Hmin = np.array([int(np.min(refList.T[0])),int(np.min(refList.T[1])),int(np.min(refList.T[2]))])
@@ -2933 +2947 @@
                 colLabels.insert(3,'M')
         return G2gd.Table(refs,rowLabels=rowLabels,colLabels=colLabels,types=Types)
+
     def ShowReflTable(phaseName):
         '''Posts a table of reflections for a phase, creating the table