Changeset 2076 for trunk/GSASIIindex.py


Ignore:
Timestamp:
Dec 1, 2015 4:06:06 PM (6 years ago)
Author:
vondreele
Message:

fix TOF bugs in G2index & SStructureFactor

File:
1 edited

Legend:

Unmodified
Added
Removed
  • trunk/GSASIIindex.py

    r2056 r2076  
    300300        return chi
    301301
    302     if 'C' in Inst['Type'][0]:
     302    if 'T' in Inst['Type'][0]:
     303        difC = Inst['difC'][1]
     304    else:
    303305        wave = G2mth.getWave(Inst)
    304     else:
    305         difC = Inst['difC'][1]
    306306    SGData = G2spc.SpcGroup(controls[13])[1]
    307307    SSGData = G2spc.SSpcGroup(SGData,ssopt['ssSymb'])[1]
     
    317317    dmin = getDmin(peaks)-0.005
    318318    Peaks = np.copy(np.array(peaks).T)
    319     if 'C' in Inst['Type'][0]:   
     319    if 'T' in Inst['Type'][0]:   
     320        result = so.brute(TSSfunc,ranges,finish=so.fmin_cg,
     321            args=(peaks,dmin,Inst,SGData,SSGData,ssopt['ModVec'],Vref,ssopt['maxH'],A,difC,Z,dlg))
     322    else:
    320323        result = so.brute(ZSSfunc,ranges,finish=so.fmin_cg,
    321324            args=(peaks,dmin,Inst,SGData,SSGData,ssopt['ModVec'],Vref,ssopt['maxH'],A,wave,Z,dlg))
    322     else:
    323         result = so.brute(TSSfunc,ranges,finish=so.fmin_cg,
    324             args=(peaks,dmin,Inst,SGData,SSGData,ssopt['ModVec'],Vref,ssopt['maxH'],A,difC,Z,dlg))
    325325    return Val2Vec(ssopt['ModVec'],Vref,result)
    326326               
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