Changeset 3157 for trunk/GSASIIfiles.py
 Timestamp:
 Nov 21, 2017 1:52:20 PM (5 years ago)
 File:

 1 edited
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trunk/GSASIIfiles.py
r3136 r3157 91 91 sfloat(s[20:30])/100.,sfloat(s[55:65]),sfloat(s[40:50])) #get lam1, lam2, zero, pola & ratio 92 92 if not v[1]: 93 names = ['Type','Lam','Zero','Polariz.','U','V','W','X','Y',' SH/L','Azimuth']93 names = ['Type','Lam','Zero','Polariz.','U','V','W','X','Y','Z','SH/L','Azimuth'] 94 94 v = (v[0],v[2],v[4]) 95 codes = [0,0,0,0 ]95 codes = [0,0,0,0,0] 96 96 rd.Sample.update({'Type':'DebyeScherrer','Absorption':[0.,False],'DisplaceX':[0.,False],'DisplaceY':[0.,False]}) 97 97 else: 98 names = ['Type','Lam1','Lam2','Zero','I(L2)/I(L1)','Polariz.','U','V','W','X','Y',' SH/L','Azimuth']99 codes = [0,0,0,0,0,0 ]98 names = ['Type','Lam1','Lam2','Zero','I(L2)/I(L1)','Polariz.','U','V','W','X','Y','Z','SH/L','Azimuth'] 99 codes = [0,0,0,0,0,0,0] 100 100 rd.Sample.update({'Type':'BraggBrentano','Shift':[0.,False],'Transparency':[0.,False], 101 101 'SurfRoughA':[0.,False],'SurfRoughB':[0.,False]}) … … 108 108 v = Iparm['INS 1PRCF 2'].split() 109 109 if v1[0] == 3: 110 data.extend([float(v[0]),float(v[1]), float(v[2])+float(v[3],azm)]) #get LX, LY, S+H/L & azimuth110 data.extend([float(v[0]),float(v[1]),0.0,float(v[2])+float(v[3],azm)]) #get LX, LY, Z, S+H/L & azimuth 111 111 else: 112 data.extend([0.0,0.0,0.0 02,azm]) #OK defaults if fxn #3 not 1st in iprm file112 data.extend([0.0,0.0,0.0,0.002,azm]) #OK defaults if fxn #3 not 1st in iprm file 113 113 else: 114 114 v1 = Iparm['INS 1PRCF1 '].split() … … 118 118 v = Iparm['INS 1PRCF12'].split() 119 119 if v1[0] == 3: 120 data.extend([float(v[0]),float(v[1]), float(v[2])+float(v[3],azm)]) #get LX, LY, S+H/L & azimuth120 data.extend([float(v[0]),float(v[1]),0.0,float(v[2])+float(v[3],azm)]) #get LX, LY, Z, S+H/L & azimuth 121 121 else: 122 data.extend([0.0,0.0,0.0 02,azm]) #OK defaults if fxn #3 not 1st in iprm file122 data.extend([0.0,0.0,0.0,0.002,azm]) #OK defaults if fxn #3 not 1st in iprm file 123 123 codes.extend([0,0,0,0,0,0,0]) 124 124 Iparm1 = makeInstDict(names,data,codes) … … 128 128 elif 'T' in DataType: 129 129 names = ['Type','fltPath','2theta','difC','difA', 'difB','Zero','alpha','beta0','beta1', 130 'betaq','sig0','sig1','sig2','sigq', 'X','Y',' Azimuth',]131 codes = [0,0,0,0,0, 0,0,0,0,0, 0,0,0,0,0, 0,0,0, ]130 'betaq','sig0','sig1','sig2','sigq', 'X','Y','Z','Azimuth',] 131 codes = [0,0,0,0,0, 0,0,0,0,0, 0,0,0,0,0, 0,0,0,0,] 132 132 azm = 0. 133 133 if 'INS 1DETAZM' in Iparm: … … 153 153 data.extend([sfloat(s[1]),sfloat(s[2]),sfloat(s[3])]) #alpha, beta0, beta1 154 154 s = Iparm['INS 1PRCF 2'].split() 155 data.extend([0.0,0.0,sfloat(s[1]),sfloat(s[2]),0.0,0.0,0.0, azm]) #betaq, sig0, sig1, sig2, sigq, X, Y155 data.extend([0.0,0.0,sfloat(s[1]),sfloat(s[2]),0.0,0.0,0.0,0.0,azm]) #betaq, sig0, sig1, sig2, sigq, X, Y, Z 156 156 elif abs(pfType) in [3,4,5]: 157 157 data.extend([sfloat(s[0]),sfloat(s[1]),sfloat(s[2])]) #alpha, beta0, beta1 158 158 if abs(pfType) == 4: 159 data.extend([0.0,0.0,sfloat(s[3]),0.0,0.0,0.0,0.0, azm]) #betaq, sig0, sig1, sig2, sigq, X, Y159 data.extend([0.0,0.0,sfloat(s[3]),0.0,0.0,0.0,0.0,0.0,azm]) #betaq, sig0, sig1, sig2, sigq, X, Y, Z 160 160 else: 161 161 s = Iparm['INS 1PRCF 2'].split() 162 data.extend([0.0,0.0,sfloat(s[0]),sfloat(s[1]),0.0,0.0,0.0, azm]) #betaq, sig0, sig1, sig2, sigq, X, Y162 data.extend([0.0,0.0,sfloat(s[0]),sfloat(s[1]),0.0,0.0,0.0,0.0,azm]) #betaq, sig0, sig1, sig2, sigq, X, Y, Z 163 163 elif abs(pfType) == 2: 164 164 data.extend([sfloat(s[1]),0.0,1./sfloat(s[3])]) #alpha, beta0, beta1 165 data.extend([0.0,0.0,sfloat(s[1]),0.0,0.0,0.0,0.0, azm]) #betaq, sig0, sig1, sig2, sigq, X, Y165 data.extend([0.0,0.0,sfloat(s[1]),0.0,0.0,0.0,0.0,0.0,azm]) #betaq, sig0, sig1, sig2, sigq, X, Y, Z 166 166 else: 167 167 s = Iparm['INS 1PRCF1 '].split() … … 171 171 data.extend([sfloat(s[1]),sfloat(s[2]),sfloat(s[3])]) #alpha, beta0, beta1 172 172 s = Iparm['INS 1PRCF12'].split() 173 data.extend([0.0,0.0,sfloat(s[1]),sfloat(s[2]),0.0,0.0,0.0, azm]) #betaq, sig0, sig1, sig2, sigq, X, Y173 data.extend([0.0,0.0,sfloat(s[1]),sfloat(s[2]),0.0,0.0,0.0,0.0,0.0,azm]) #betaq, sig0, sig1, sig2, sigq, X, Y, Z 174 174 elif abs(pfType) in [3,4,5]: 175 175 data.extend([sfloat(s[0]),sfloat(s[1]),sfloat(s[2])]) #alpha, beta0, beta1 176 176 if abs(pfType) == 4: 177 data.extend([0.0,0.0,sfloat(s[3]),0.0,0.0,0.0,0.0, azm]) #betaq, sig0, sig1, sig2, sigq, X, Y177 data.extend([0.0,0.0,sfloat(s[3]),0.0,0.0,0.0,0.0,0.0,azm]) #betaq, sig0, sig1, sig2, sigq, X, Y, Z 178 178 else: 179 179 s = Iparm['INS 1PRCF12'].split() 180 data.extend([0.0,0.0,sfloat(s[0]),sfloat(s[1]),0.0,0.0,0.0, azm]) #betaq, sig0, sig1, sig2, sigq, X, Y180 data.extend([0.0,0.0,sfloat(s[0]),sfloat(s[1]),0.0,0.0,0.0,0.0,azm]) #betaq, sig0, sig1, sig2, sigq, X, Y, Z 181 181 Inst1 = makeInstDict(names,data,codes) 182 182 Inst1['Bank'] = [Bank,Bank,0]
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