1 | #pragma rtGlobals=1 // Use modern global access method. |
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2 | #pragma IgorVersion=6.1 |
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3 | |
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4 | // |
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5 | // The plotting macro sets up TWO dependencies |
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6 | // - one for the triplet calculation |
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7 | // - one for a matrix to display, a copy of the triplet |
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8 | // |
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9 | // For display, there are two copies of the matrix. One matrix is linear, and is a copy of the |
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10 | // triplet (which is ALWAYS linear). The other matrix is toggled log/lin for display |
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11 | // in the same way the 2D SANS data matrix is handled. |
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12 | // |
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13 | |
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14 | /// REQUIRES XOP for 2D FUNCTIONS |
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15 | |
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16 | // |
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17 | // the calculation is done as for the QxQy data set: |
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18 | // three waves XYZ, then converted to a matrix |
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19 | // |
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20 | Proc PlotPeakGauss2D(str) |
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21 | String str |
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22 | Prompt str,"Pick the data folder containing the 2D data",popup,getAList(4) |
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23 | |
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24 | SetDataFolder $("root:"+str) |
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25 | |
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26 | Make/O/D coef_pkGau2D = {100.0, 0.25,0.005, 1.0} |
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27 | make/o/t parameters_pkGau2D = {"Scale Factor, I0 ", "Peak position (A^-1)", "Std Dev (A^-1)","Incoherent Bgd (cm-1)"} |
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28 | Edit parameters_pkGau2D,coef_pkGau2D |
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29 | |
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30 | // generate the triplet representation |
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31 | Duplicate/O $(str+"_qx") xwave_pkGau2D |
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32 | Duplicate/O $(str+"_qy") ywave_pkGau2D,zwave_pkGau2D |
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33 | |
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34 | Variable/G g_pkGau2D=0 |
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35 | g_pkGau2D := PeakGauss2D(coef_pkGau2D,zwave_pkGau2D,xwave_pkGau2D,ywave_pkGau2D) //AAO 2D calculation |
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36 | |
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37 | Display ywave_pkGau2D vs xwave_pkGau2D |
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38 | modifygraph log=0 |
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39 | ModifyGraph mode=3,marker=16,zColor(ywave_pkGau2D)={zwave_pkGau2D,*,*,YellowHot,0} |
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40 | ModifyGraph standoff=0 |
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41 | ModifyGraph width={Aspect,1} |
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42 | ModifyGraph lowTrip=0.001 |
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43 | Label bottom "qx (A\\S-1\\M)" |
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44 | Label left "qy (A\\S-1\\M)" |
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45 | AutoPositionWindow/M=1/R=$(WinName(0,1)) $WinName(0,2) |
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46 | |
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47 | // generate the matrix representation |
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48 | ConvertQxQy2Mat(xwave_pkGau2D,ywave_pkGau2D,zwave_pkGau2D,"pkGau2D_mat") |
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49 | Duplicate/O $"pkGau2D_mat",$"pkGau2D_lin" //keep a linear-scaled version of the data |
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50 | // _mat is for display, _lin is the real calculation |
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51 | |
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52 | // not a function evaluation - this simply keeps the matrix for display in sync with the triplet calculation |
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53 | Variable/G g_pkGau2Dmat=0 |
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54 | g_pkGau2Dmat := UpdateQxQy2Mat(xwave_pkGau2D,ywave_pkGau2D,zwave_pkGau2D,pkGau2D_lin,pkGau2D_mat) |
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55 | |
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56 | |
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57 | SetDataFolder root: |
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58 | AddModelToStrings("PeakGauss2D","coef_pkGau2D","parameters_pkGau2D","pkGau2D") |
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59 | End |
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60 | |
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61 | // - sets up a dependency to a wrapper, not the actual SmearedModelFunction |
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62 | Proc PlotSmearedPeakGauss2D(str) |
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63 | String str |
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64 | Prompt str,"Pick the data folder containing the 2D data",popup,getAList(4) |
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65 | |
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66 | // if any of the resolution waves are missing => abort |
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67 | // if(ResolutionWavesMissingDF(str)) //updated to NOT use global strings (in GaussUtils) |
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68 | // Abort |
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69 | // endif |
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70 | |
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71 | SetDataFolder $("root:"+str) |
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72 | |
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73 | // Setup parameter table for model function |
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74 | Make/O/D smear_coef_pkGau2D = {100.0, 0.25,0.005, 1.0} |
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75 | make/o/t smear_parameters_pkGau2D = {"Scale Factor, I0 ", "Peak position (A^-1)", "Std Dev (A^-1)","Incoherent Bgd (cm-1)"} |
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76 | Edit smear_parameters_pkGau2D,smear_coef_pkGau2D |
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77 | |
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78 | Duplicate/O $(str+"_qx") smeared_pkGau2D //1d place for the smeared model |
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79 | SetScale d,0,0,"1/cm",smeared_pkGau2D |
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80 | |
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81 | Variable/G gs_pkGau2D=0 |
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82 | gs_pkGau2D := fSmearedPeakGauss2D(smear_coef_pkGau2D,smeared_pkGau2D) //this wrapper fills the STRUCT |
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83 | |
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84 | Display $(str+"_qy") vs $(str+"_qx") |
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85 | modifygraph log=0 |
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86 | ModifyGraph mode=3,marker=16,zColor($(str+"_qy"))={smeared_pkGau2D,*,*,YellowHot,0} |
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87 | ModifyGraph standoff=0 |
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88 | ModifyGraph width={Aspect,1} |
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89 | ModifyGraph lowTrip=0.001 |
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90 | Label bottom "qx (A\\S-1\\M)" |
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91 | Label left "qy (A\\S-1\\M)" |
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92 | AutoPositionWindow/M=1/R=$(WinName(0,1)) $WinName(0,2) |
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93 | |
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94 | // generate the matrix representation |
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95 | Duplicate/O $(str+"_qx"), sm_qx |
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96 | Duplicate/O $(str+"_qy"), sm_qy // I can't use local variables in dependencies, so I need the name (that I can't get) |
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97 | |
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98 | ConvertQxQy2Mat(sm_qx,sm_qy,smeared_pkGau2D,"sm_pkGau2D_mat") |
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99 | Duplicate/O $"sm_pkGau2D_mat",$"sm_pkGau2D_lin" //keep a linear-scaled version of the data |
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100 | // _mat is for display, _lin is the real calculation |
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101 | |
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102 | // not a function evaluation - this simply keeps the matrix for display in sync with the triplet calculation |
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103 | Variable/G gs_pkGau2Dmat=0 |
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104 | gs_pkGau2Dmat := UpdateQxQy2Mat(sm_qx,sm_qy,smeared_pkGau2D,sm_pkGau2D_lin,sm_pkGau2D_mat) |
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105 | |
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106 | SetDataFolder root: |
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107 | AddModelToStrings("SmearedPeakGauss2D","smear_coef_pkGau2D","smear_parameters_pkGau2D","pkGau2D") |
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108 | End |
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109 | |
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110 | |
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111 | //threaded version of the function |
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112 | ThreadSafe Function PeakGauss2D_T(cw,zw,xw,yw,p1,p2) |
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113 | WAVE cw,zw,xw,yw |
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114 | Variable p1,p2 |
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115 | |
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116 | #if exists("PeakGauss2DX") //to hide the function if XOP not installed |
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117 | |
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118 | zw[p1,p2]= PeakGauss2DX(cw,xw,yw) |
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119 | |
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120 | #else |
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121 | zw[p1,p2] = I_PeakGauss2D(cw,xw,yw) |
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122 | #endif |
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123 | |
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124 | return 0 |
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125 | End |
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126 | |
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127 | // |
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128 | // Fit function that is actually a wrapper to dispatch the calculation to N threads |
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129 | // |
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130 | // not used |
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131 | // |
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132 | Function PeakGauss2D(cw,zw,xw,yw) : FitFunc |
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133 | Wave cw,zw,xw,yw |
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134 | |
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135 | Variable npt=numpnts(yw) |
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136 | Variable i,nthreads= ThreadProcessorCount |
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137 | variable mt= ThreadGroupCreate(nthreads) |
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138 | |
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139 | // Variable t1=StopMSTimer(-2) |
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140 | |
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141 | for(i=0;i<nthreads;i+=1) |
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142 | // Print (i*npt/nthreads),((i+1)*npt/nthreads-1) |
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143 | ThreadStart mt,i,PeakGauss2D_T(cw,zw,xw,yw,(i*npt/nthreads),((i+1)*npt/nthreads-1)) |
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144 | endfor |
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145 | |
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146 | do |
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147 | variable tgs= ThreadGroupWait(mt,100) |
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148 | while( tgs != 0 ) |
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149 | |
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150 | variable dummy= ThreadGroupRelease(mt) |
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151 | |
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152 | // Print "elapsed time = ",(StopMSTimer(-2) - t1)/1e6 |
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153 | |
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154 | return(0) |
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155 | End |
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156 | |
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157 | |
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158 | //non-threaded version of the function |
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159 | ThreadSafe Function PeakGauss2D_noThread(cw,zw,xw,yw) |
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160 | WAVE cw,zw, xw,yw |
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161 | |
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162 | #if exists("PeakGauss2DX") //to hide the function if XOP not installed |
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163 | zw= PeakGauss2DX(cw,xw,yw) |
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164 | #else |
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165 | zw = I_PeakGauss2D(cw,xw,yw) |
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166 | #endif |
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167 | |
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168 | return 0 |
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169 | End |
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170 | |
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171 | // I think I did this because when I do the quadrature loops I'm calling the AAO with 1-pt waves, so threading |
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172 | // would just be a slowdown |
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173 | Function SmearedPeakGauss2D(s) |
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174 | Struct ResSmear_2D_AAOStruct &s |
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175 | |
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176 | //no threads |
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177 | // Smear_2DModel_PP(PeakGauss2D_noThread,s,10) |
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178 | |
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179 | //or threaded... |
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180 | SmearPeakGauss2D_THR(s,10) |
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181 | |
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182 | return(0) |
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183 | end |
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184 | |
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185 | |
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186 | Function fSmearedPeakGauss2D(coefW,resultW) |
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187 | Wave coefW,resultW |
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188 | |
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189 | String str = getWavesDataFolder(resultW,0) |
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190 | String DF="root:"+str+":" |
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191 | |
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192 | WAVE qx = $(DF+str+"_qx") |
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193 | WAVE qy = $(DF+str+"_qy") |
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194 | WAVE qz = $(DF+str+"_qz") |
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195 | WAVE sQpl = $(DF+str+"_sQpl") |
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196 | WAVE sQpp = $(DF+str+"_sQpp") |
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197 | WAVE shad = $(DF+str+"_fs") |
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198 | |
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199 | STRUCT ResSmear_2D_AAOStruct s |
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200 | WAVE s.coefW = coefW |
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201 | WAVE s.zw = resultW |
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202 | WAVE s.xw[0] = qx |
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203 | WAVE s.xw[1] = qy |
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204 | WAVE s.qz = qz |
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205 | WAVE s.sQpl = sQpl |
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206 | WAVE s.sQpp = sQpp |
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207 | WAVE s.fs = shad |
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208 | |
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209 | Variable err |
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210 | err = SmearedPeakGauss2D(s) |
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211 | |
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212 | return (0) |
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213 | End |
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214 | |
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215 | ThreadSafe Function I_PeakGauss2D(w,x,y) |
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216 | Wave w |
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217 | Variable x,y |
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218 | |
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219 | Variable retVal,qval |
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220 | qval = sqrt(x^2+y^2) |
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221 | |
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222 | retval = Peak_Gauss_modelX(w,qval) |
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223 | // retval = fPeak_Gauss_model(w,qval) |
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224 | |
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225 | return(retVal) |
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226 | End |
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227 | |
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228 | /////////////// |
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229 | // |
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230 | // this is the threaded version, that dispatches the calculation out to threads |
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231 | // |
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232 | // must be written specific to each 2D function |
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233 | // |
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234 | Function SmearPeakGauss2D_THR(s,nord) |
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235 | Struct ResSmear_2D_AAOStruct &s |
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236 | Variable nord |
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237 | |
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238 | String weightStr,zStr |
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239 | |
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240 | // create all of the necessary quadrature waves here - rather than inside a threadsafe function |
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241 | switch(nord) |
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242 | case 5: |
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243 | weightStr="gauss5wt" |
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244 | zStr="gauss5z" |
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245 | if (WaveExists($weightStr) == 0) |
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246 | Make/O/D/N=(nord) $weightStr,$zStr |
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247 | Make5GaussPoints($weightStr,$zStr) |
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248 | endif |
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249 | break |
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250 | case 10: |
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251 | weightStr="gauss10wt" |
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252 | zStr="gauss10z" |
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253 | if (WaveExists($weightStr) == 0) |
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254 | Make/O/D/N=(nord) $weightStr,$zStr |
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255 | Make10GaussPoints($weightStr,$zStr) |
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256 | endif |
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257 | break |
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258 | case 20: |
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259 | weightStr="gauss20wt" |
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260 | zStr="gauss20z" |
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261 | if (WaveExists($weightStr) == 0) |
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262 | Make/O/D/N=(nord) $weightStr,$zStr |
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263 | Make20GaussPoints($weightStr,$zStr) |
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264 | endif |
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265 | break |
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266 | default: |
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267 | Abort "Smear_2DModel_PP_Threaded called with invalid nord value" |
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268 | endswitch |
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269 | |
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270 | Wave/Z wt = $weightStr |
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271 | Wave/Z xi = $zStr // wave references to pass |
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272 | |
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273 | Variable npt=numpnts(s.xw[0]) |
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274 | Variable i,nthreads= ThreadProcessorCount |
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275 | variable mt= ThreadGroupCreate(nthreads) |
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276 | |
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277 | Variable t1=StopMSTimer(-2) |
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278 | |
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279 | for(i=0;i<nthreads;i+=1) |
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280 | // Print (i*npt/nthreads),((i+1)*npt/nthreads-1) |
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281 | ThreadStart mt,i,SmearPeakGauss2D_T(s.coefW,s.xw[0],s.xw[1],s.qz,s.sQpl,s.sQpp,s.fs,s.zw,wt,xi,(i*npt/nthreads),((i+1)*npt/nthreads-1),nord) |
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282 | endfor |
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283 | |
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284 | do |
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285 | variable tgs= ThreadGroupWait(mt,100) |
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286 | while( tgs != 0 ) |
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287 | |
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288 | variable dummy= ThreadGroupRelease(mt) |
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289 | |
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290 | // comment out the threading + uncomment this for testing to make sure that the single thread works |
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291 | // nThreads=1 |
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292 | // SmearSphere2D_T(s.coefW,s.xw[0],s.xw[1],s.qz,s.sQpl,s.sQpp,s.fs,s.zw,wt,xi,(i*npt/nthreads),((i+1)*npt/nthreads-1),nord) |
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293 | |
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294 | Print "elapsed time = ",(StopMSTimer(-2) - t1)/1e6 |
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295 | |
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296 | return(0) |
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297 | end |
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298 | |
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299 | // |
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300 | // - worker function for threads of PeakGauss2D |
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301 | // |
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302 | ThreadSafe Function SmearPeakGauss2D_T(coef,qxw,qyw,qzw,sxw,syw,fsw,zw,wt,xi,pt1,pt2,nord) |
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303 | WAVE coef,qxw,qyw,qzw,sxw,syw,fsw,zw,wt,xi |
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304 | Variable pt1,pt2,nord |
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305 | |
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306 | // now passed in.... |
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307 | // Wave wt = $weightStr |
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308 | // Wave xi = $zStr |
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309 | |
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310 | Variable ii,jj,kk,num |
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311 | Variable qx,qy,qz,qval,sx,sy,fs |
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312 | Variable qy_pt,qx_pt,res_x,res_y,answer,sumIn,sumOut |
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313 | |
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314 | Variable normFactor,phi,theta,maxSig,numStdDev=3 |
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315 | |
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316 | /// keep these waves local |
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317 | Make/O/D/N=(nord) fcnRet,xptW,res_tot,yptW |
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318 | |
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319 | // now just loop over the points as specified |
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320 | |
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321 | answer=0 |
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322 | |
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323 | Variable spl,spp,apl,app,bpl,bpp,phi_pt,qpl_pt |
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324 | |
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325 | //loop over q-values |
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326 | for(ii=pt1;ii<(pt2+1);ii+=1) |
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327 | |
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328 | qx = qxw[ii] |
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329 | qy = qyw[ii] |
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330 | qz = qzw[ii] |
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331 | qval = sqrt(qx^2+qy^2+qz^2) |
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332 | spl = sxw[ii] |
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333 | spp = syw[ii] |
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334 | fs = fsw[ii] |
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335 | |
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336 | normFactor = 2*pi*spl*spp |
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337 | |
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338 | phi = FindPhi(qx,qy) |
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339 | |
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340 | apl = -numStdDev*spl + qval //parallel = q integration limits |
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341 | bpl = numStdDev*spl + qval |
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342 | app = -numStdDev*spp + phi //perpendicular = phi integration limits |
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343 | bpp = numStdDev*spp + phi |
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344 | |
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345 | //make sure the limits are reasonable. |
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346 | if(apl < 0) |
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347 | apl = 0 |
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348 | endif |
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349 | // do I need to specially handle limits when phi ~ 0? |
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350 | |
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351 | |
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352 | sumOut = 0 |
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353 | for(jj=0;jj<nord;jj+=1) // call phi the "outer' |
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354 | phi_pt = (xi[jj]*(bpp-app)+app+bpp)/2 |
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355 | |
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356 | sumIn=0 |
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357 | for(kk=0;kk<nord;kk+=1) //at phi, integrate over Qpl |
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358 | |
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359 | qpl_pt = (xi[kk]*(bpl-apl)+apl+bpl)/2 |
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360 | |
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361 | FindQxQy(qpl_pt,phi_pt,qx_pt,qy_pt) //find the corresponding QxQy to the Q,phi |
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362 | yPtw[kk] = qy_pt //phi is the same in this loop, but qy is not |
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363 | xPtW[kk] = qx_pt //qx is different here too, as we're varying Qpl |
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364 | |
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365 | res_tot[kk] = exp(-0.5*( (qpl_pt-qval)^2/spl/spl + (phi_pt-phi)^2/spp/spp ) ) |
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366 | res_tot[kk] /= normFactor |
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367 | // res_tot[kk] *= fs |
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368 | |
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369 | endfor |
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370 | |
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371 | PeakGauss2D_noThread(coef,fcnRet,xptw,yptw) //fcn passed in is an AAO |
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372 | |
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373 | //sumIn += wt[jj]*wt[kk]*res_tot*fcnRet[0] |
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374 | fcnRet *= wt[jj]*wt*res_tot |
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375 | // |
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376 | answer += (bpl-apl)/2.0*sum(fcnRet) // |
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377 | endfor |
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378 | |
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379 | answer *= (bpp-app)/2.0 |
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380 | zw[ii] = answer |
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381 | endfor |
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382 | |
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383 | return(0) |
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384 | end |
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385 | |
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