Changeset 4485

Timestamp:

Jun 13, 2020 9:44:53 AM (3 years ago)

Author:

vondreele

Message:

fix plotting of BNS centered modulated magnetic moment plotting

Location:

trunk

Files:

• GSASIImath.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/GSASIIspc.py

@@ -3567 +3567 @@
         return newX
         
-def ApplyStringOpsMom(A,SGData,Mom):
-    'Needs a doc string'
+def ApplyStringOpsMom(A,SGData,SSGData,Mom):
+    '''Applies string operations to modulated magnetic moment components used in drawing
+    '''
     SGOps = SGData['SGOps']
+    SSGCen = SSGData['SSGCen']
     Ax = A.split('+')
     Ax[0] = int(Ax[0])
@@ -3582 +3584 @@
         NA += len(SGOps)
     M,T = SGOps[nA]
-    if SGData['SGGray']:
-        newMom = -np.inner(Mom,M).T*nl.det(M)*SGData['SpnFlp'][NA+nC]
-    else:
-        newMom = np.inner(Mom,M).T*nl.det(M)*SGData['SpnFlp'][NA+nC]
-#        print(len(SGOps),Ax[0],iAx,nC,nA,NA,MT2text([M,T]).replace(' ',''),SGData['SpnFlp'][NA],Mom,newMom)
-#    print(Mom,newMom,MT2text([M,T]),)
+    newMom = np.inner(Mom,M).T*SGData['MagMom'][NA+nC]
+    if SSGCen[iAx//100][3]:     #flip spin for BNS centered atoms
+        newMom *= -1.
     return newMom