Changeset 4333 for trunk/GSASIIpwd.py
- Timestamp:
- Feb 28, 2020 4:19:30 AM (4 years ago)
- File:
-
- 1 edited
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trunk/GSASIIpwd.py
r4328 r4333 388 388 if 'XC' in inst['Type'][0]: 389 389 ruland = Ruland(data['Ruland'],wave,Q,CF) 390 # auxPlot.append([Q,ruland,'Ruland'])390 # auxPlot.append([Q,ruland,'Ruland']) 391 391 CF *= ruland 392 392 # auxPlot.append([Q,CF,'CF-Corr']) … … 407 407 mul = int(round(2.*np.pi*nR/(Rmax*qLimits[1]))) 408 408 # mul = int(round(2.*np.pi*nR/(data.get('Rmax',100.)*qLimits[1]))) 409 xydata['GofR'][1][0] = 2.*np.pi*np.linspace(0,nR,nR,endpoint=True)/(mul*qLimits[1]) 410 xydata['GofR'][1][1] = -dq*np.imag(fft.fft(xydata['FofQ'][1][1],mul*nR)[:nR]) 409 R = 2.*np.pi*np.linspace(0,nR,nR,endpoint=True)/(mul*qLimits[1]) 410 xydata['GofR'][1][0] = R 411 GR = -dq*np.imag(fft.fft(xydata['FofQ'][1][1],mul*nR)[:nR]) 412 xydata['GofR'][1][1] = GR 413 # gr = GR/(4.*np.pi*R) 414 # auxPlot.append([R,gr,'g(r)']) 411 415 if data.get('noRing',True): 412 416 xydata['GofR'][1][1] = np.where(xydata['GofR'][1][0]<0.5,0.,xydata['GofR'][1][1])
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