Ignore:
Timestamp:
Dec 19, 2013 9:37:07 AM (8 years ago)
Author:
vondreele
Message:

add surface roughness (Surotti model) to Bragg-Brentano sample parameters
seems to work OK but I don't have a good test data set.

File:
1 edited

Legend:

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Added
Removed
  • trunk/GSASIIstrMath.py

    r1140 r1175  
    10251025        return G2pwd.Absorb('Cylinder',parmDict[hfx+'Absorption'],refl[5],0,0)
    10261026    else:
    1027         return 1.0
     1027        return G2pwd.SurfaceRough(parmDict[hfx+'SurfRoughA'],parmDict[hfx+'SurfRoughB'],refl[5])
    10281028   
    10291029def GetAbsorbDerv(refl,hfx,calcControls,parmDict):
     
    10321032        return G2pwd.AbsorbDerv('Cylinder',parmDict[hfx+'Absorption'],refl[5],0,0)
    10331033    else:
    1034         return 0.0
     1034        return G2pwd.SurfaceRoughDerv(parmDict[hfx+'SurfRoughA'],parmDict[hfx+'SurfRoughB'],refl[5])
    10351035   
    10361036def GetIntensityCorr(refl,uniq,G,g,pfx,phfx,hfx,SGData,calcControls,parmDict):
     
    15821582                    hfx+'I(L2)/I(L1)':[1.0,'L1/L2'],hfx+'Zero':[dpdZ,'pos'],hfx+'Lam':[dpdw,'pos'],
    15831583                    hfx+'Shift':[dpdSh,'pos'],hfx+'Transparency':[dpdTr,'pos'],hfx+'DisplaceX':[dpdX,'pos'],
    1584                     hfx+'DisplaceY':[dpdY,'pos'],hfx+'Absorption':[dFdAb,'int'],}
     1584                    hfx+'DisplaceY':[dpdY,'pos'],}
     1585                if 'Bragg' in calcControls[hfx+'instType']:
     1586                    names.update({hfx+'SurfRoughA':[dFdAb[0],'int'],
     1587                        hfx+'SurfRoughB':[dFdAb[1],'int'],})
     1588                else:
     1589                    names.update({hfx+'Absorption':[dFdAb,'int'],})
    15851590                for name in names:
    15861591                    item = names[name]
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