Changeset 3000 for trunk/GSASIIstrIO.py


Ignore:
Timestamp:
Aug 11, 2017 5:34:54 PM (4 years ago)
Author:
toby
Message:

make the two frame version the trunk as we hit version 3000

Location:
trunk
Files:
2 edited

Legend:

Unmodified
Added
Removed
  • trunk

  • trunk/GSASIIstrIO.py

    r2840 r3000  
    21942194            if 'PWDR' in histogram:
    21952195                limits = Histogram['Limits'][1]
    2196                 inst = Histogram['Instrument Parameters'][0]
     2196                inst = Histogram['Instrument Parameters'][0]    #TODO - grab table here if present
    21972197                if 'C' in inst['Type'][1]:
    21982198                    try:
     
    22262226                    hapDict[pfx+name] = hapData['HStrain'][0][i]
    22272227                    HSvals.append(hapDict[pfx+name])
    2228                     if hapData['HStrain'][1][i] and not hapDict[pfx+'LeBail']:
     2228                    if hapData['HStrain'][1][i]:
     2229#                    if hapData['HStrain'][1][i] and not hapDict[pfx+'LeBail']:
    22292230                        hapVary.append(pfx+name)
    22302231                controlDict[pfx+'poType'] = hapData['Pref.Ori.'][0]
     
    23332334                                        refList.append([h,k,l,m,mul,d, pos,0.0,0.0,0.0,100., 0.0,0.0,0.0,0.0,wave, 1.0,1.0,1.0])
    23342335                                        # ... sig,gam,fotsq,fctsq, phase,icorr,alp,bet,wave, prfo,abs,ext
     2336                                        #TODO - if tabulated put alp & bet in here
    23352337                                        Uniq.append(uniq)
    23362338                                        Phi.append(phi)
     
    28602862        if 'C' in dataType:
    28612863            instDict[pfx+'SH/L'] = max(instDict[pfx+'SH/L'],0.0005)
     2864        elif 'T' in dataType:   #trap zero alp, bet coeff.
     2865            if not instDict[pfx+'alpha']:
     2866                instDict[pfx+'alpha'] = 1.0
     2867            if not instDict[pfx+'beta-0'] and not instDict[pfx+'beta-1']:
     2868                instDict[pfx+'beta-1'] = 1.0
    28622869        return dataType,instDict,insVary
    28632870       
     
    29922999            histVary += bakVary
    29933000           
    2994             Inst = Histogram['Instrument Parameters'][0]
    2995             Type,instDict,insVary = GetInstParms(hId,Inst)
     3001            Inst = Histogram['Instrument Parameters']        #TODO ? ignores tabulated alp,bet & delt for TOF
     3002            if 'T' in Type and len(Inst[1]):    #patch -  back-to-back exponential contribution to TOF line shape is removed
     3003                print 'Warning: tabulated profile coefficients are ignored'
     3004            Type,instDict,insVary = GetInstParms(hId,Inst[0])
    29963005            controlDict[pfx+'histType'] = Type
    29973006            if 'XC' in Type:
     
    30233032                        print >>pFile,' Excluded region:  %8.2f%s to %8.2f%s'%(excl[0],units,excl[1],units)   
    30243033                PrintSampleParms(Sample)
    3025                 PrintInstParms(Inst)
     3034                PrintInstParms(Inst[0])
    30263035                PrintBackground(Background)
    30273036        elif 'HKLF' in histogram:
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