Changeset 5044


Ignore:
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:
1 edited

Legend:

Unmodified
Added
Removed
  • trunk/GSASIIstrMain.py

    r5043 r5044  
    666666    msgs['steepestNum'] = 0
    667667    msgs['maxshift/sigma'] = []
     668    lasthist = ''
    668669    for ihst,histogram in enumerate(histNames):
    669670        if GSASIIpath.GetConfigValue('Show_timing'): t1 = time.time()
     
    719720                if parm in parmDict:
    720721                    parmDict[parm] = NewparmDict[parm]
     722            for phase in Phases:
     723                if Phases[phase]['Histograms'][histogram]['LeBail'] and lasthist:
     724                    oldFsqs = Histograms[lasthist]['Reflection Lists'][phase]['RefList'].T[8:10]    #assume no superlattice!
     725                    newRefs = Histograms[histogram]['Reflection Lists'][phase]['RefList']
     726                    if len(newRefs) == len(oldFsqs.T):
     727                        newRefs.T[8:10] = copy.copy(oldFsqs)
     728                        # for i,ref in enumerate(newRefs):
     729                        #     ref[8:10] = oldFsqs.T[i]
     730                    else:
     731                        print('ERROR - mismatch in reflection list length bewteen %s and %s; no copy done'%(lasthist,histogram))
    721732####TBD: if LeBail copy reflections here?
    722733        elif histogram in SeqResult:  # update phase from last seq ref
     
    787798                            .format(hId,histogram))
    788799        printFile.write(135*'-'+'\n')
     800        lasthist = histogram
    789801        # remove frozen vars
    790802        if 'parmFrozen' not in Controls:
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