Changeset 1874


Ignore:
Timestamp:
Jun 1, 2015 11:31:55 AM (7 years ago)
Author:
vondreele
Message:

minor formatting change for TOF peak fitting
fix powder extinction & derivatives

Location:
trunk
Files:
2 edited

Legend:

Unmodified
Added
Removed
  • trunk/GSASIIpwd.py

    r1759 r1874  
    15141514        head = 13*' '
    15151515        for name in names:
    1516             head += name.center(10)+'esd'.center(10)
     1516            if name in ['alp','bet']:
     1517                head += name.center(8)+'esd'.center(8)
     1518            else:
     1519                head += name.center(10)+'esd'.center(10)
    15171520        print head
    15181521        if 'C' in dataType:
    15191522            ptfmt = {'pos':"%10.5f",'int':"%10.1f",'sig':"%10.3f",'gam':"%10.3f"}
    15201523        else:
    1521             ptfmt = {'pos':"%10.2f",'int':"%10.4f",'alp':"%10.3f",'bet':"%10.5f",'sig':"%10.3f",'gam':"%10.3f"}
     1524            ptfmt = {'pos':"%10.2f",'int':"%10.4f",'alp':"%8.3f",'bet':"%8.5f",'sig':"%10.3f",'gam':"%10.3f"}
    15221525        for i,peak in enumerate(Peaks):
    15231526            ptstr =  ':'
  • trunk/GSASIIstrMath.py

    r1864 r1874  
    14031403    exb = 1.0
    14041404    if xfac > -1.:
    1405         exb = 1./(1.+xfac)
     1405        exb = 1./np.sqrt(1.+xfac)
    14061406    exl = 1.0
    14071407    if 0 < xfac <= 1.:
     
    14301430    dbde = -500.*flv2
    14311431    if xfac > -1.:
    1432         dbde = -flv2/(1.+xfac)**3
     1432        dbde = -0.5*flv2/np.sqrt(1.+xfac)**3
    14331433    dlde = 0.
    14341434    if 0 < xfac <= 1.:
     
    14401440       
    14411441    return dbde*sth2+dlde*(1.-sth2)
    1442 
    1443 
    1444 #    delt = 0.01
    1445 #    parmDict[phfx+'Extinction'] += delt
    1446 #    plus = GetPwdrExt(refl,im,pfx,phfx,hfx,calcControls,parmDict)
    1447 #    parmDict[phfx+'Extinction'] -= 2.*delt
    1448 #    minus = GetPwdrExt(refl,im,pfx,phfx,hfx,calcControls,parmDict)
    1449 #    parmDict[phfx+'Extinction'] += delt
    1450 #    return (plus-minus)/(2.*delt)   
    14511442   
    14521443def GetIntensityCorr(refl,im,uniq,G,g,pfx,phfx,hfx,SGData,calcControls,parmDict):
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