Changeset 4166


Ignore:
Timestamp:
Oct 1, 2019 3:14:03 PM (2 years ago)
Author:
vondreele
Message:

fixes to Dysnomia for TOF data

Location:
trunk
Files:
2 edited

Legend:

Unmodified
Added
Removed
  • trunk/GSASIIplot.py

    r4137 r4166  
    90189018                        RenderMapPeak(x,y,z,Wt,mag/peakMax)
    90199019                    else:
    9020                         RenderMapPeak(x,y,z,Rd,-mag/peakMax)
     9020                        RenderMapPeak(x,y,z,Or,-2*mag/peakMax)
    90219021                if showBonds:
    90229022                    RenderLines(x,y,z,mapBonds[ind],Wt)
  • trunk/GSASIIpwd.py

    r4142 r4166  
    30163016       
    30173017    dmin = DysData['MEMdmin']
     3018    TOFlam = 2.0*dmin*npsind(80.0)
    30183019    refSet = G2lat.GenHLaue(dmin,SGData,A)      #list of h,k,l,d
    30193020    refDict = {'%d %d %d'%(ref[0],ref[1],ref[2]):ref for ref in refSet}
     
    30263027        if 'T' in Type:
    30273028            h,k,l,mult,dsp,pos,sig,gam,Fobs,Fcalc,phase,x,x,x,x,prfo = ref[:16]
    3028             FWHM = getgamFW(gam,sig)
     3029            s = np.sqrt(max(sig,0.0001))   #var -> sig in deg
     3030            FWHM = getgamFW(gam,s)
     3031            if dsp < dmin:
     3032                continue
     3033            theta = npasind(TOFlam/(2.*dsp))
     3034            FWHM *= nptand(theta)/pos
     3035            pos = 2.*theta
    30293036        else:
    30303037            h,k,l,mult,dsp,pos,sig,gam,Fobs,Fcalc,phase,x,prfo = ref[:13]
     
    30723079        Fobs = np.sqrt(ref[6])
    30733080        mem.write('%5d%5d%5d%10.3f%10.3f%10.3f\n'%(h,k,l,Fobs*npcosd(ref[7]),Fobs*npsind(ref[7]),max(0.01*Fobs,0.1)))
    3074     while True:
     3081    while True and nref2:
    30753082        if not len(refs2[-1]):
    30763083            del refs2[-1]
     
    31163123   
    31173124    generalData = data['General']
     3125    Map = generalData['Map']
     3126    Type = Map['Type']
    31183127    cell = generalData['Cell'][1:7]
    31193128    A = G2lat.cell2A(cell)
     
    31453154        except KeyError:    #added reflections at end skipped
    31463155            d = float(1/np.sqrt(G2lat.calc_rDsq([h,k,l],A)))
    3147             newRefs.append([h,k,l,-1,d,0.,0.01,1.0,Fosq,Fosq,phase,1.0,1.0,1.0,1.0])
     3156            if 'T' in Type:
     3157                newRefs.append([h,k,l,-1,d,0.,0.01,1.0,Fosq,Fosq,phase,1.0,1.0,1.0,1.0,1.0,1.0,1.0])
     3158            else:
     3159                newRefs.append([h,k,l,-1,d,0.,0.01,1.0,Fosq,Fosq,phase,1.0,1.0,1.0,1.0])
    31483160            continue
    31493161        newRefs[refId][8] = Fosq
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