Newer
Older
1001
1002
1003
1004
1005
1006
1007
1008
1009
1010
1011
1012
1013
1014
1015
1016
1017
1018
1019
1020
1021
1022
1023
1024
1025
1026
1027
1028
1029
1030
1031
1032
1033
1034
1035
1036
1037
1038
1039
1040
1041
1042
1043
1044
1045
1046
1047
1048
1049
1050
1051
1052
1053
1054
1055
1056
1057
1058
1059
1060
1061
1062
1063
1064
1065
1066
1067
1068
1069
1070
1071
1072
1073
1074
1075
1076
1077
1078
1079
1080
1081
1082
1083
1084
1085
1086
1087
1088
1089
1090
1091
1092
1093
1094
1095
1096
ofile << "! Sig-2 Sig-1 Sig-0 "
" \n";
ofile << "SIGMA 514.546 0.00044 0.355 "
" \n";
ofile << "! Gam-2 Gam-1 Gam-0 "
" \n";
ofile << "GAMMA 0.000 0.000 0.000 "
" \n";
ofile << "! alph0 beta0 alph1 beta1 "
" \n";
ofile << "ALFBE 0.000008 6.251096 0.000000 0.000000 "
" \n";
ofile << "! alph0t beta0t alph1t beta1t "
" \n";
ofile << "ALFBT 0.010156 85.918922 0.000000 0.000000 "
" \n";
ofile << "END "
" \n";
ofile << "! ---------------------------------------------- Bank 3 CWL "
"= 0.5339A \n";
ofile << "! Type of profile function: back-to-back exponentials * "
"pseudo-Voigt \n";
ofile << "NPROF 10 "
" \n";
ofile << "! Tof-min(us) step Tof-max(us) "
" \n";
ofile << "TOFRG 5000.2300 4.0002 51000.0000 "
" \n";
ofile << "! Zero Dtt1 "
" \n";
ofile << "ZD2TOF -1.00 22580.59157 "
" \n";
ofile << "! Zerot Dtt1t Dtt2t x-cross Width "
" \n";
ofile << "ZD2TOT 933.50214 22275.21084 1.0290 0.0000002 5.0957 "
" \n";
ofile << "! TOF-TWOTH of the bank "
" \n";
ofile << "TWOTH 90.00 "
" \n";
ofile << "! Sig-2 Sig-1 Sig-0 "
" \n";
ofile << "SIGMA 514.546 0.00044 0.355 "
" \n";
ofile << "! Gam-2 Gam-1 Gam-0 "
" \n";
ofile << "GAMMA 0.000 0.000 0.000 "
" \n";
ofile << "! alph0 beta0 alph1 beta1 "
" \n";
ofile << "ALFBE 0.000008 7.251096 0.000000 0.000000 "
" \n";
ofile << "! alph0t beta0t alph1t beta1t "
" \n";
ofile << "ALFBT 0.010156 85.918922 0.000000 0.000000 "
" \n";
ofile << "END "
" \n";
ofile << "! ---------------------------------------------- Bank 4 CWL "
"= 1.3330A\n";
ofile << "! Type of profile function: back-to-back exponentials * "
"pseudo-Voigt \n";
ofile << "NPROF 10 "
" \n";
ofile << "! Tof-min(us) step Tof-max(us) "
" \n";
ofile << "TOFRG 9800.0000 5.0000 86000.0000 "
" \n";
ofile << "! Zero Dtt1 "
" \n";
ofile << "ZD2TOF 0.00 22586.10156 "
" \n";
ofile << "! Zerot Dtt1t Dtt2t x-cross Width "
" \n";
ofile << "ZD2TOT -42.76068 22622.76953 0.30 0.3560 2.4135 "
" \n";
ofile << "! TOF-TWOTH of the bank "
" \n";
ofile << "TWOTH 90.000 "
" \n";
ofile << "! Sig-2 Sig-1 Sig-0 "
" \n";
ofile << "SIGMA 72.366 10.000 0.000 "
" \n";
ofile << "! Gam-2 Gam-1 Gam-0 "
" \n";
ofile << "GAMMA 0.000 2.742 0.000 "
" \n";
ofile << "! alph0 beta0 alph1 beta1 "
" \n";
ofile << "ALFBE 1.500 3.012 5.502 9.639 "
" \n";
ofile << "! alph0t beta0t alph1t beta1t "
" \n";
ofile << "ALFBT 86.059 96.487 13.445 3.435 "
" \n";
throw runtime_error("Unable to open file to write.");
}
return;
}
//----------------------------------------------------------------------------------------------
/** Generate a 1 bank .irf file for BackToBackExponential fitting function
*/
void generate1BankIrfBBXFile(string filename) {
ofstream ofile;
ofile.open(filename.c_str());
1113
1114
1115
1116
1117
1118
1119
1120
1121
1122
1123
1124
1125
1126
1127
1128
1129
1130
1131
1132
1133
1134
1135
1136
1137
1138
1139
1140
1141
1142
1143
1144
1145
1146
1147
1148
1149
if (ofile.is_open()) {
ofile << " Instrumental resolution function for HRPD/ISIS L. Chapon "
"12/2003 ireso: 5 \n";
ofile << "! To be used with function NPROF=9 in FullProf (Res=5) "
" \n";
ofile << "! ----------------------------------------------------- Bank 2 "
" \n";
ofile << "! Type of profile function: back-to-back exponentials * "
"pseudo-Voigt \n";
ofile << "NPROF 9 "
" \n";
ofile << "! Tof-min(us) step Tof-max(us) "
" \n";
ofile << "TOFRG 15051.898669 7.85 209446.601531 "
" \n";
ofile << "! Dtt1 Dtt2 Zero "
" \n";
ofile << "D2TOF 34841.316 5.950 -5.055 "
" \n";
ofile << "! TOF-TWOTH of the bank "
" \n";
ofile << "TWOTH 89.58 "
" \n";
ofile << "! Sig-2 Sig-1 Sig-0 "
" \n";
ofile << "SIGMA 287.174 3865.810 0.005 "
" \n";
ofile << "! Gam-2 Gam-1 Gam-0 "
" \n";
ofile << "GAMMA 0.000 4.991 0.005 "
" \n";
ofile << "! alph0 beta0 alph1 beta1 "
" \n";
ofile << "ALFBE 0.000077 0.024760 0.096713 0.006268 "
" \n";
ofile << "END "
" \n";
ofile.close();
throw runtime_error("Unable to open file to write.");
}
return;
}
/* Return the number of rows the table must have
*/
int getExpectedNumberOfRows() {
return 29; // Change this value if you add or remove any rows from the
// OutputTableWorkspace
private:
std::string wsName; // For Workspace property
};
#endif /* MANTID_DATAHANDLING_LOADFULLPROFRESOLUTIONTEST_H_ */