Changeset 1283 for trunk/GSASIIsasd.py


Ignore:
Timestamp:
Apr 18, 2014 11:27:12 AM (7 years ago)
Author:
vondreele
Message:

open a SASD gpx file now starts at SASD file & plot
fix 2/a & 2/c lattice codes in CellSizer?
more graceful when SASD least squares fails
add 'Radius' to list of possibel parameters in SASD fit
fix form factor volume calc for monodisperse models

File:
1 edited

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  • trunk/GSASIIsasd.py

    r1278 r1283  
    10241024            elif 'Mono' in Type:
    10251025                FFfxn = parmDict[cid+'FormFact']
    1026                 Volfxn = parmDict[cid+'FormFact']
     1026                Volfxn = parmDict[cid+'FFVolume']
    10271027                FFargs = []
    10281028                for item in [cid+'Aspect ratio',cid+'Length',cid+'Thickness',cid+'Diameter',]:
     
    10551055    parmDict.update(zip(varyList,result[0]))
    10561056    Ic[Ibeg:Ifin] = getSASD(Q[Ibeg:Ifin],levelTypes,parmDict)
    1057     sigDict = dict(zip(varyList,np.sqrt(np.diag(result[1])*GOF)))
    1058     print ' Results of small angle data modelling fit:'
    1059     print 'Number of function calls:',result[2]['nfev'],' Number of observations: ',Ifin-Ibeg,' Number of parameters: ',len(varyList)
    1060     print 'Rwp = %7.2f%%, chi**2 = %12.6g, reduced chi**2 = %6.2f'%(Rwp,chisq,GOF)
    1061     SetModelParms()
     1057    try:
     1058        sigDict = dict(zip(varyList,np.sqrt(np.diag(result[1])*GOF)))
     1059        print ' Results of small angle data modelling fit:'
     1060        print 'Number of function calls:',result[2]['nfev'],' Number of observations: ',Ifin-Ibeg,' Number of parameters: ',len(varyList)
     1061        print 'Rwp = %7.2f%%, chi**2 = %12.6g, reduced chi**2 = %6.2f'%(Rwp,chisq,GOF)
     1062        SetModelParms()
     1063        return True
     1064    except ValueError:
     1065        return False
     1066       
    10621067   
    10631068def ModelFxn(Profile,ProfDict,Limits,Substances,Sample,sasdData):
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