1 | #pragma rtGlobals=1 // Use modern global access method. |
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2 | #pragma IgorVersion=6.0 |
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3 | |
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4 | // |
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5 | // !!! FOR THE ELLIPSOID, THE ANGLE THETA IS DEFINED FROM ???? |
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6 | // |
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7 | // The plotting macro sets up TWO dependencies |
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8 | // - one for the triplet calculation |
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9 | // - one for a matrix to display, a copy of the triplet |
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10 | // |
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11 | // For display, there are two copies of the matrix. One matrix is linear, and is a copy of the |
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12 | // triplet (which is ALWAYS linear). The other matrix is toggled log/lin for display |
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13 | // in the same way the 2D SANS data matrix is handled. |
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14 | // |
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15 | |
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16 | /// REQUIRES DANSE XOP for 2D FUNCTIONS |
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17 | |
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18 | // |
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19 | // the calculation is done as for the QxQy data set: |
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20 | // three waves XYZ, then converted to a matrix |
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21 | // |
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22 | Proc PlotEllipsoid2D(str) |
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23 | String str |
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24 | Prompt str,"Pick the data folder containing the 2D data",popup,getAList(4) |
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25 | |
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26 | if (!exists("Ellipsoid_2DX")) |
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27 | Abort "You must have the SANSAnalysis XOP installed to use 2D models" |
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28 | endif |
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29 | |
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30 | SetDataFolder $("root:"+str) |
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31 | |
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32 | // Setup parameter table for model function |
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33 | // make/O/T/N=12 parameters_Ellip2D |
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34 | // Make/O/D/N=12 coef_Ellip2D |
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35 | make/O/T/N=12 parameters_Ellip2D |
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36 | Make/O/D/N=12 coef_Ellip2D |
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37 | |
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38 | coef_Ellip2D[0] = 1.0 |
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39 | coef_Ellip2D[1] = 20.0 |
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40 | coef_Ellip2D[2] = 60.0 |
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41 | coef_Ellip2D[3] = 1.0e-6 |
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42 | coef_Ellip2D[4] = 6.3e-6 |
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43 | coef_Ellip2D[5] = 0.0 |
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44 | coef_Ellip2D[6] = 1.57 |
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45 | coef_Ellip2D[7] = 0.0 |
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46 | coef_Ellip2D[8] = 0.0 |
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47 | coef_Ellip2D[9] = 0.0 |
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48 | coef_Ellip2D[10] = 0.0 |
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49 | coef_Ellip2D[11] = 0.0 |
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50 | // hard-wire the number of integration points |
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51 | // coef_Ellip2D[12] = 10 |
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52 | |
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53 | parameters_Ellip2D[0] = "Scale" |
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54 | parameters_Ellip2D[1] = "Radius_a (rotation axis)" |
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55 | parameters_Ellip2D[2] = "Radius_b" |
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56 | parameters_Ellip2D[3] = "SLD cylinder (A^-2)" |
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57 | parameters_Ellip2D[4] = "SLD solvent" |
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58 | parameters_Ellip2D[5] = "Background" |
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59 | parameters_Ellip2D[6] = "Axis Theta" |
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60 | parameters_Ellip2D[7] = "Axis Phi" |
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61 | parameters_Ellip2D[8] = "Sigma of polydisp in R_a [Angstrom]" |
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62 | parameters_Ellip2D[9] = "Sigma of polydisp in R_b [Angstrom]" |
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63 | parameters_Ellip2D[10] = "Sigma of polydisp in Theta [rad]" |
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64 | parameters_Ellip2D[11] = "Sigma of polydisp in Phi [rad]" |
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65 | |
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66 | // parameters_Ellip2D[12] = "Num of polydisp points" |
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67 | |
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68 | |
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69 | Edit parameters_Ellip2D,coef_Ellip2D |
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70 | |
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71 | // generate the triplet representation |
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72 | Duplicate/O $(str+"_qx") xwave_Ellip2D |
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73 | Duplicate/O $(str+"_qy") ywave_Ellip2D,zwave_Ellip2D |
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74 | |
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75 | Variable/G gs_Ellip2D=0 |
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76 | gs_Ellip2D := Ellipsoid2D(coef_Ellip2D,zwave_Ellip2D,xwave_Ellip2D,ywave_Ellip2D) //AAO 2D calculation |
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77 | |
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78 | Display ywave_Ellip2D vs xwave_Ellip2D |
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79 | modifygraph log=0 |
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80 | ModifyGraph mode=3,marker=16,zColor(ywave_Ellip2D)={zwave_Ellip2D,*,*,YellowHot,0} |
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81 | ModifyGraph standoff=0 |
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82 | ModifyGraph width={Aspect,1} |
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83 | ModifyGraph lowTrip=0.001 |
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84 | Label bottom "qx (A\\S-1\\M)" |
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85 | Label left "qy (A\\S-1\\M)" |
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86 | AutoPositionWindow/M=1/R=$(WinName(0,1)) $WinName(0,2) |
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87 | |
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88 | // generate the matrix representation |
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89 | ConvertQxQy2Mat(xwave_Ellip2D,ywave_Ellip2D,zwave_Ellip2D,"Ellip2D_mat") |
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90 | Duplicate/O $"Ellip2D_mat",$"Ellip2D_lin" //keep a linear-scaled version of the data |
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91 | // _mat is for display, _lin is the real calculation |
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92 | |
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93 | // not a function evaluation - this simply keeps the matrix for display in sync with the triplet calculation |
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94 | Variable/G gs_Ellip2Dmat=0 |
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95 | gs_Ellip2Dmat := UpdateQxQy2Mat(xwave_Ellip2D,ywave_Ellip2D,zwave_Ellip2D,Ellip2D_lin,Ellip2D_mat) |
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96 | |
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97 | |
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98 | SetDataFolder root: |
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99 | AddModelToStrings("Ellipsoid2D","coef_Ellip2D","Ellip2D") |
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100 | End |
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101 | |
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102 | //AAO version, uses XOP if available |
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103 | // simply calls the original single point calculation with |
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104 | // a wave assignment (this will behave nicely if given point ranges) |
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105 | // |
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106 | // NON-THREADED IMPLEMENTATION |
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107 | // |
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108 | //Function Ellipsoid2D(cw,zw,xw,yw) : FitFunc |
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109 | // Wave cw,zw,xw,yw |
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110 | // |
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111 | //#if exists("EllipsoidModel_D") |
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112 | // |
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113 | // Make/O/D/N=13 Ellip2D_tmp |
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114 | // Ellip2D_tmp = cw |
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115 | // Ellip2D_tmp[12] = 25 |
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116 | // |
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117 | // zw = EllipsoidModel_D(Ellip2D_tmp,xw,yw) |
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118 | // |
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119 | //// zw = EllipsoidModel_D(cw,xw,yw) |
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120 | //#else |
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121 | // Abort "You do not have the SANS Analysis XOP installed" |
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122 | //#endif |
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123 | // return(0) |
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124 | //End |
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125 | // |
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126 | |
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127 | //threaded version of the function |
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128 | ThreadSafe Function Ellipsoid2D_T(cw,zw,xw,yw,p1,p2) |
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129 | WAVE cw,zw,xw,yw |
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130 | Variable p1,p2 |
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131 | |
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132 | #if exists("Ellipsoid_2DX") //to hide the function if XOP not installed |
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133 | |
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134 | Make/O/D/N=13 Ellip2D_tmp |
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135 | Ellip2D_tmp = cw |
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136 | Ellip2D_tmp[12] = 25 |
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137 | Ellip2D_tmp[5] = 0 //pass in a zero background and add it in later |
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138 | |
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139 | zw[p1,p2]= Ellipsoid_2DX(Ellip2D_tmp,xw,yw) + cw[5] |
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140 | |
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141 | #endif |
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142 | |
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143 | return 0 |
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144 | End |
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145 | |
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146 | // |
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147 | // Fit function that is actually a wrapper to dispatch the calculation to N threads |
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148 | // |
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149 | // nthreads is 1 or an even number, typically 2 |
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150 | // it doesn't matter if npt is odd. In this case, fractional point numbers are passed |
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151 | // and the wave indexing works just fine - I tested this with test waves of 7 and 8 points |
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152 | // and the points "2.5" and "3.5" evaluate correctly as 2 and 3 |
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153 | // |
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154 | Function Ellipsoid2D(cw,zw,xw,yw) : FitFunc |
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155 | Wave cw,zw,xw,yw |
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156 | |
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157 | Variable npt=numpnts(yw) |
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158 | Variable i,nthreads= ThreadProcessorCount |
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159 | variable mt= ThreadGroupCreate(nthreads) |
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160 | |
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161 | for(i=0;i<nthreads;i+=1) |
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162 | // Print (i*npt/nthreads),((i+1)*npt/nthreads-1) |
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163 | ThreadStart mt,i,Ellipsoid2D_T(cw,zw,xw,yw,(i*npt/nthreads),((i+1)*npt/nthreads-1)) |
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164 | endfor |
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165 | |
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166 | do |
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167 | variable tgs= ThreadGroupWait(mt,100) |
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168 | while( tgs != 0 ) |
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169 | |
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170 | variable dummy= ThreadGroupRelease(mt) |
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171 | |
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172 | return(0) |
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173 | End |
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