 Timestamp:
 Jul 15, 2017 2:10:22 PM (5 years ago)
 Location:
 branch/2frame
 Files:

 3 edited
Legend:
 Unmodified
 Added
 Removed

branch/2frame/GSASIIpwd.py
r2928 r2935 1124 1124 else: 1125 1125 alp = G2mth.getTOFalpha(parmDict,dsp) 1126 alp = max(0. 0001,alp)1126 alp = max(0.1,alp) 1127 1127 betName = 'bet'+str(iPeak) 1128 1128 if betName in varyList: 
branch/2frame/GSASIIstrIO.py
r2840 r2935 2194 2194 if 'PWDR' in histogram: 2195 2195 limits = Histogram['Limits'][1] 2196 inst = Histogram['Instrument Parameters'][0] 2196 inst = Histogram['Instrument Parameters'][0] #TODO  grab table here if present 2197 2197 if 'C' in inst['Type'][1]: 2198 2198 try: … … 2333 2333 refList.append([h,k,l,m,mul,d, pos,0.0,0.0,0.0,100., 0.0,0.0,0.0,0.0,wave, 1.0,1.0,1.0]) 2334 2334 # ... sig,gam,fotsq,fctsq, phase,icorr,alp,bet,wave, prfo,abs,ext 2335 #TODO  if tabulated put alp & bet in here 2335 2336 Uniq.append(uniq) 2336 2337 Phi.append(phi) … … 2860 2861 if 'C' in dataType: 2861 2862 instDict[pfx+'SH/L'] = max(instDict[pfx+'SH/L'],0.0005) 2863 elif 'T' in dataType: #trap zero alp, bet coeff. 2864 if not instDict[pfx+'alpha']: 2865 instDict[pfx+'alpha'] = 1.0 2866 if not instDict[pfx+'beta0'] and not instDict[pfx+'beta1']: 2867 instDict[pfx+'beta1'] = 1.0 2862 2868 return dataType,instDict,insVary 2863 2869 … … 2992 2998 histVary += bakVary 2993 2999 2994 Inst = Histogram['Instrument Parameters'][0] 2995 Type,instDict,insVary = GetInstParms(hId,Inst) 3000 Inst = Histogram['Instrument Parameters'] #TODO ? ignores tabulated alp,bet & delt for TOF 3001 if 'T' in Type and len(Inst[1]): #patch  backtoback exponential contribution to TOF line shape is removed 3002 print 'Warning: tabulated profile coefficients are ignored' 3003 Type,instDict,insVary = GetInstParms(hId,Inst[0]) 2996 3004 controlDict[pfx+'histType'] = Type 2997 3005 if 'XC' in Type: … … 3023 3031 print >>pFile,' Excluded region: %8.2f%s to %8.2f%s'%(excl[0],units,excl[1],units) 3024 3032 PrintSampleParms(Sample) 3025 PrintInstParms(Inst )3033 PrintInstParms(Inst[0]) 3026 3034 PrintBackground(Background) 3027 3035 elif 'HKLF' in histogram: 
branch/2frame/GSASIIstrMath.py
r2927 r2935 3164 3164 h,k,l = refl[:3] 3165 3165 Uniq = np.inner(refl[:3],SGMT) 3166 refl[5+im] = GetReflPos(refl,im,0.0,A,pfx,hfx,calcControls,parmDict) #corrected reflection position 3166 refl[5+im] = GetReflPos(refl,im,0.0,A,pfx,hfx,calcControls,parmDict) #corrected reflection position  #TODO  what about tabluated offset? 3167 3167 Lorenz = sind(abs(parmDict[hfx+'2theta'])/2)*refl[4+im]**4 #TOF Lorentz correction 3168 3168 # refl[5+im] += GetHStrainShift(refl,im,SGData,phfx,hfx,calcControls,parmDict) #apply hydrostatic strain shift 3169 3169 refl[6+im:8+im] = GetReflSigGamTOF(refl,im,G,GB,phfx,calcControls,parmDict) #peak sig & gam 3170 refl[12+im:14+im] = GetReflAlpBet(refl,im,hfx,parmDict) 3170 refl[12+im:14+im] = GetReflAlpBet(refl,im,hfx,parmDict) #TODO  skip if alp, bet tabulated? 3171 3171 refl[11+im],refl[15+im],refl[16+im],refl[17+im] = GetIntensityCorr(refl,im,Uniq,G,g,pfx,phfx,hfx,SGData,calcControls,parmDict) 3172 3172 refl[11+im] *= Vst*Lorenz
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