Changeset 945 for trunk/GSASII.py


Ignore:
Timestamp:
Jun 11, 2013 9:58:44 AM (9 years ago)
Author:
vondreele
Message:

some mods for POWGEN data for single peak fitting
unify profile parm calcs into G2mth

File:
1 edited

Legend:

Unmodified
Added
Removed
  • trunk/GSASII.py

    r938 r945  
    730730                return [G2IO.makeInstDict(names,data,codes),{}]
    731731            elif 'T' in DataType:
    732                 names = ['Type','2-theta','difC','difA','Zero','alpha','beta-0','beta-1','sig-0','sig-1','X','Y','Azimuth']
    733                 codes = [0,0,0,0,0,0,0,0,0,0,0,0,0]
     732                names = ['Type','2-theta','difC','difA','Zero','alpha','beta-0','beta-1',
     733                    'beta-q','sig-0','sig-1','sig-q','X','Y','Azimuth']
     734                codes = [0,0,0,0,0,0,0,0,0,0,0,0,0,0,0]
    734735                azm = 0.
    735736                if 'INS  1DETAZM' in Iparm:
     
    745746                    data.extend([G2IO.sfloat(s[1]),G2IO.sfloat(s[2]),G2IO.sfloat(s[3])])
    746747                    s = Iparm['INS  1PRCF12'].split()
    747                     data.extend([0.0,G2IO.sfloat(s[1]),0.0,0.0,azm])
     748                    data.extend([0.0,0.0,G2IO.sfloat(s[1]),0.0,0.0,0.0,azm])
    748749                elif abs(pfType) in [3,4,5]:
    749750                    data.extend([G2IO.sfloat(s[0]),G2IO.sfloat(s[1]),G2IO.sfloat(s[2])])
    750751                    if abs(pfType) == 4:
    751                         data.extend([0.0,G2IO.sfloat(s[3]),0.0,0.0,azm])
     752                        data.extend([0.0,0.0,G2IO.sfloat(s[3]),0.0,0.0,0.0,azm])
    752753                    else:
    753754                        s = Iparm['INS  1PRCF12'].split()
    754                         data.extend([0.0,G2IO.sfloat(s[0]),0.0,0.0,azm])                       
     755                        data.extend([0.0,0.0,G2IO.sfloat(s[0]),0.0,0.0,0.0,azm])                       
    755756                Inst1 = G2IO.makeInstDict(names,data,codes)
    756757                Inst2 = {}
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