Changeset 5002 for trunk

Timestamp:

Jul 28, 2021 9:36:42 AM (4 years ago)

Author:

vondreele

Message:

allow constraints between like Debye & Bragg peak parameters.

Location:

trunk

Files:

• GSASIIconstrGUI.py (modified) (2 diffs)
• GSASIImath.py (modified) (1 diff)

trunk/GSASIIconstrGUI.py ¶

@@ -390 +390 @@
         elif 'mV' in name:
             namelist = ['mV0','mV1','mV2']
+        elif 'Debye' in name or 'BkPk' in name:   #special cases for Background fxns
+            dbname = name.split(';')[0].split(':')[2]
+            return [item for item in nameList if dbname in item]
         elif 'RB' in name:
             rbfx = 'RB'+items[2][2]
@@ -860 +863 @@
         
     def OnAddRiding(event):
-        ''' Add riding equivalences between all parameters on atoms '''
+        ''' Add riding equivalences between all parameters on atoms  - not currently used'''
         page = G2frame.Page
         vartype,varList,constrDictEnt = PageSelection(page)

trunk/GSASIImath.py ¶

@@ -1748 +1748 @@
     phi = np.inner((XYZ-SGT[:,:3][nxs,:,:]),modQ).T
     TA = np.sum(mst[nxs,:,:]*(XYZ-SGT[:,:3][nxs,:,:]),axis=-1).T
-    phase =  TA[nxs,:,:] + epsinv[nxs,:,nxs]*(glTau[:,nxs,nxs])+phi[nxs,:,:]-SGT[:,3][nxs,:,nxs]   #+,+,+ best for DyMnGe
+    phase =  TA[nxs,:,:] + epsinv[nxs,:,nxs]*(glTau[:,nxs,nxs])-SGT[:,3][nxs,:,nxs]+phi[nxs,:,:]   #+,+,+ best for DyMnGe
     psin = np.sin(twopi*phase)      #tau,ops,atms
     pcos = np.cos(twopi*phase)