Changeset 5283


Ignore:
Timestamp:
May 19, 2022 10:06:15 AM (4 months ago)
Author:
vondreele
Message:

implement partials for TOF, pink & EDS

File:
1 edited

Legend:

Unmodified
Added
Removed
  • trunk/GSASIIstrMath.py

    r5275 r5283  
    32923292        pickle.dump(yb,phPartialFP)
    32933293        phPartialFP.close()
     3294       
    32943295        def SavePartial(phase,y):
    32953296            phPartialFP = open(phasePartials,'ab')  # append to file
     
    34613462                    fp = G2pwd.getPsVoigt(refl[5+im],refl[6+im]*1.e4,.001,ma.getdata(x[iBeg:iFin]))[0]
    34623463                    yc[iBeg:iFin] += refl[9+im]*fp
     3464                    if phasePartials: ypartial[iBeg:iFin] += refl[11+im]*refl[9+im]*fp
     3465            if phasePartials: SavePartial(phase,ypartial)
    34633466           
    34643467        elif 'B' in calcControls[hfx+'histType']:
     
    35053508                    #     yc[iBeg:iFin] += refl[11+im]*refl[9+im]*fp
    35063509                    yc[iBeg:iFin] += refl[11+im]*refl[9+im]*fp
     3510                    if phasePartials: ypartial[iBeg:iFin] += refl[11+im]*refl[9+im]*fp
     3511            if phasePartials: SavePartial(phase,ypartial)
     3512           
    35073513        elif 'T' in calcControls[hfx+'histType']:
    35083514            for iref,refl in enumerate(refDict['RefList']):
     
    35433549                    fp = G2pwd.getEpsVoigt(refl[5+im],refl[12+im],refl[13+im],refl[6+im],refl[7+im],ma.getdata(x[iBeg:iFin]))[0]
    35443550                    yc[iBeg:iFin] += refl[11+im]*refl[9+im]*fp
     3551                    if phasePartials: ypartial[iBeg:iFin] += refl[11+im]*refl[9+im]*fp
     3552            if phasePartials: SavePartial(phase,ypartial)
    35453553#        print 'profile calc time: %.3fs'%(time.time()-time0)
    35463554        if useMP and 'C' in calcControls[hfx+'histType']:
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