Changeset 4489

Timestamp:

Jun 16, 2020 10:23:33 AM (3 years ago)

Author:

vondreele

Message:

further fixup of incommensurate mag moment drawings. Now correct.

Location:

trunk

Files:

• GSASIImath.py (modified) (1 diff)
• GSASIIphsGUI.py (modified) (1 diff)
• GSASIIspc.py (modified) (2 diffs)

trunk/GSASIImath.py

@@ -1802 +1802 @@
                 drawatom[dcx:dcx+3] = X
             if generalData['Type'] == 'magnetic':
-                M = G2spc.ApplyStringOpsMom(opr,SGData,atmom+mom)
+                M = G2spc.ApplyStringOpsMom(opr,SGData,SSGData,atmom+mom)
                 drawatom[dcx+3:dcx+6] = M
     return drawAtoms,Fade

trunk/GSASIIphsGUI.py

@@ -3809 +3809 @@
                 opr = oldatom[8]
                 mom = np.array(atom[7:10])
-                Mom = G2spc.ApplyStringOpsMom(opr,SGData,mom)
+                if generalData['Super']:
+                    SSGData = generalData['SSGData']
+                    Mom = G2spc.ApplyStringOpsMom(opr,SGData,SSGData,mom)
+                else:
+                    Mom = G2spc.ApplyStringOpsMom(opr,SGData,None,mom)
                 if atom[12] == 'A':                    
                     X,U = G2spc.ApplyStringOps(opr,SGData,atom[3:6],atom[14:20])

trunk/GSASIIspc.py

@@ -3567 +3567 @@
         return newX
         
-def ApplyStringOpsMom(A,SGData,Mom):
+def ApplyStringOpsMom(A,SGData,SSGData,Mom):
     '''Applies string operations to modulated magnetic moment components used in drawing
     '''
@@ -3584 +3584 @@
     M,T = SGOps[nA]
     newMom = np.inner(Mom,M).T*SGData['MagMom'][NA+nC]
+    if SSGData is not None:
+        if SSGData['SSGCen'][iAx//100][3]:     #flip spin for BNS centered atoms
+            newMom *= -1.
     return newMom