Changeset 5044

Timestamp:

Oct 7, 2021 4:13:45 PM (8 months ago)

Author:

vondreele

Message:

implement copy of LeBail? F0 & Fc from previous histogram in a sequential refinement if "copy next" is invoked

File:

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

trunk/GSASIIstrMain.py

@@ -666 +666 @@
     msgs['steepestNum'] = 0
     msgs['maxshift/sigma'] = []
+    lasthist = ''
     for ihst,histogram in enumerate(histNames):
         if GSASIIpath.GetConfigValue('Show_timing'): t1 = time.time()
@@ -719 +720 @@
                 if parm in parmDict:
                     parmDict[parm] = NewparmDict[parm]
+            for phase in Phases:
+                if Phases[phase]['Histograms'][histogram]['LeBail'] and lasthist:
+                    oldFsqs = Histograms[lasthist]['Reflection Lists'][phase]['RefList'].T[8:10]    #assume no superlattice!
+                    newRefs = Histograms[histogram]['Reflection Lists'][phase]['RefList']
+                    if len(newRefs) == len(oldFsqs.T):
+                        newRefs.T[8:10] = copy.copy(oldFsqs)
+                        # for i,ref in enumerate(newRefs):
+                        #     ref[8:10] = oldFsqs.T[i]
+                    else:
+                        print('ERROR - mismatch in reflection list length bewteen %s and %s; no copy done'%(lasthist,histogram))
 ####TBD: if LeBail copy reflections here?
         elif histogram in SeqResult:  # update phase from last seq ref
@@ -787 +798 @@
                             .format(hId,histogram))
         printFile.write(135*'-'+'\n')
+        lasthist = histogram
         # remove frozen vars
         if 'parmFrozen' not in Controls: