Changeset 5124
 Timestamp:
 Jan 6, 2022 8:31:27 AM (7 months ago)
 File:

 1 edited
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trunk/GSASIIpwd.py
r5113 r5124 905 905 yb = np.zeros_like(xdata) 906 906 nBak = 0 907 cw = np.diff(xdata)908 cw = np.append(cw,cw[1])907 # cw = np.diff(xdata) 908 # cw = np.append(cw,cw[1]) 909 909 sumBk = [0.,0.,0] 910 910 while True: … … 1009 1009 iFin = np.searchsorted(xdata,pkP+fmax) 1010 1010 if 'C' in dataType: 1011 # ybi = pkI*getFCJVoigt3(pkP,pkS,pkG,0.002,xdata[iBeg:iFin])[0] 1012 # yb[iBeg:iFin] += ybi/cw[iBeg:iFin] 1011 1013 ybi = pkI*getFCJVoigt3(pkP,pkS,pkG,0.002,xdata[iBeg:iFin])[0] 1012 yb[iBeg:iFin] += ybi /cw[iBeg:iFin]1014 yb[iBeg:iFin] += ybi 1013 1015 elif 'T' in dataType: 1014 1016 ybi = pkI*getEpsVoigt(pkP,1.,1.,pkS,pkG,xdata[iBeg:iFin])[0] … … 1047 1049 dydpk = np.zeros(shape=(4*parmDict[hfx+'nPeaks'],len(xdata))) 1048 1050 dydfb = [] 1049 cw = np.diff(xdata)1050 cw = np.append(cw,cw[1])1051 # cw = np.diff(xdata) 1052 # cw = np.append(cw,cw[1]) 1051 1053 1052 1054 if bakType in ['chebyschev','cosine','chebyschev1']: … … 1148 1150 # dydpk[4*iD+2][iBeg:iFin] += 100.*cw[iBeg:iFin]*pkI*dFds 1149 1151 # dydpk[4*iD+3][iBeg:iFin] += 100.*cw[iBeg:iFin]*pkI*dFdg 1150 dydpk[4*iD][iBeg:iFin] += 1000.*pkI*dFdp1151 dydpk[4*iD+1][iBeg:iFin] += 1000.*Df1152 dydpk[4*iD+2][iBeg:iFin] += 1000.*pkI*dFds1153 dydpk[4*iD+3][iBeg:iFin] += 1000.*pkI*dFdg1152 dydpk[4*iD][iBeg:iFin] += pkI*dFdp 1153 dydpk[4*iD+1][iBeg:iFin] += Df 1154 dydpk[4*iD+2][iBeg:iFin] += pkI*dFds 1155 dydpk[4*iD+3][iBeg:iFin] += pkI*dFdg 1154 1156 else: #'T'OF 1155 1157 Df,dFdp,x,x,dFds,dFdg = getdEpsVoigt(pkP,1.,1.,pkS,pkG,xdata[iBeg:iFin])
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