1 | #pragma TextEncoding = "MacRoman" |
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2 | #pragma rtGlobals=3 // Use modern global access method and strict wave access. |
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3 | |
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4 | // |
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5 | // |
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6 | // testing routines to compare various integration methods and approximations |
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7 | // for calculating the resolution smearing from the white beam wavelength distribution |
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8 | // |
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9 | // |
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10 | // |
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11 | // IntegrateFn_N is something that I wrote (in GaussUtils) for quadrature with any number of |
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12 | // points (user-selected) |
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13 | // |
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14 | // 2018: |
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15 | // my quadrature and the built-in function are equivalent. Romberg may be useful in some cases |
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16 | // especially for multiple integrals. then number of points and timing can be optimized. But either |
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17 | // method can be used. |
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18 | // |
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19 | // answer = IntegrateFn_N(V_WB_testKernel,loLim,upLim,cw,qVals,nord) |
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20 | // answer_Rom_WB = Integrate_BuiltIn(cw,loLim,upLim,qVals) |
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21 | |
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22 | // using a matrix multiplication for this calculation of the white beam wavelength smearing is NOT |
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23 | // recommended -- the calculation is not nearly accurate enough. |
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24 | // |
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25 | // |
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26 | // Using my built-in quadrature routines (see V_TestWavelengthIntegral) may be of use when |
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27 | // writing fitting functions for all of these cases. The built-in Integrate may be limited |
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28 | // |
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29 | // TODO -- beware what might happen to the calculations since there is a single global string |
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30 | // containing the function name. |
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31 | // |
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32 | // TODO: |
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33 | // -- a significant problem with using the coef waves that are used in the wrapper are that |
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34 | // they are set up with a dependency, so doing the WB calculation also does the "regular" |
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35 | // calculation, doubling the time required... |
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36 | |
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37 | |
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38 | // |
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39 | // SANSModel_proto(w,x) is in GaussUtils_v40.ipf |
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40 | // |
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41 | // FUNCREF SANSModel_proto fcn |
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42 | // |
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43 | |
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44 | |
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45 | |
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46 | // call the calculation |
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47 | // see DoTheFitButton in Wrapper_v40.ipf |
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48 | // |
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49 | // |
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50 | Macro V_Calc_WB_Smearing() |
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51 | |
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52 | String folderStr,funcStr,coefStr |
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53 | |
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54 | ControlInfo/W=WrapperPanel popup_0 |
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55 | folderStr=S_Value |
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56 | |
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57 | ControlInfo/W=WrapperPanel popup_1 |
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58 | funcStr=S_Value |
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59 | |
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60 | ControlInfo/W=WrapperPanel popup_2 |
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61 | coefStr=S_Value |
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62 | |
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63 | V_DoWavelengthIntegral(folderStr,funcStr,coefStr) |
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64 | |
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65 | SetDataFolder root: |
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66 | End |
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67 | |
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68 | |
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69 | // uses built-in Integrate1d() |
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70 | // |
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71 | Function V_DoWavelengthIntegral(folderStr,funcStr,coefStr) |
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72 | String folderStr,funcStr,coefStr |
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73 | |
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74 | SetDataFolder $("root:"+folderStr) |
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75 | |
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76 | // gather the input waves |
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77 | WAVE qVals = $(folderStr+"_q") |
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78 | // WAVE cw = smear_coef_BroadPeak |
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79 | WAVE cw = $coefStr |
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80 | |
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81 | funcStr = V_getXFuncStrFromCoef(cw)+"_" //get the modelX name, tag on "_" |
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82 | String/G root:gFunctionString = funcStr // need a global reference to pass to Integrate1D |
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83 | |
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84 | // make a wave for the answer |
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85 | Duplicate/O qvals answer_Rom_WB |
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86 | |
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87 | // do the integration |
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88 | Variable loLim,upLim |
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89 | |
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90 | // define limits based on lo/mean, hi/mean of the wavelength distribution |
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91 | // using the empirical definition, "top" of the peaks |
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92 | loLim = 3.37/5.3 |
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93 | upLim = 8.25/5.3 |
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94 | |
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95 | // // using the "middle" |
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96 | // loLim = 3.37/5.3 |
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97 | // upLim = 8.37/5.3 |
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98 | // |
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99 | // // using the interpolated distribution (change the function call) |
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100 | // lolim = 3/5.3 |
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101 | // uplim = 9/5.3 |
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102 | |
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103 | // using the "trangular" distribution (cange the function call) |
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104 | loLim = 4/5.3 |
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105 | upLim = 8/5.3 |
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106 | |
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107 | answer_Rom_WB = Integrate_BuiltIn(cw,loLim,upLim,qVals) |
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108 | |
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109 | // why do I need this? Is this because this is defined as the mean of the distribution |
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110 | // and is needed to normalize the integral? verify this on paper. |
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111 | answer_Rom_WB *= 5.3 |
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112 | |
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113 | // normalize the integral |
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114 | answer_Rom_WB /= 20926 // "top" of peaks |
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115 | // answer_Rom_WB /= 19933 // "middle" of peaks |
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116 | // answer_Rom_WB /= 20051 // interpolated distribution |
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117 | // answer_Rom_WB /= 1 // triangular distribution (it's already normalized) |
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118 | |
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119 | SetDataFolder root: |
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120 | |
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121 | return 0 |
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122 | End |
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123 | |
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124 | // |
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125 | // not used anymore - the built-in works fine, but this |
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126 | // may be of use if I convert all of these to fitting functions. |
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127 | // |
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128 | Function V_TestWavelengthIntegral(folderStr) |
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129 | String folderStr |
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130 | |
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131 | SetDataFolder $("root:"+folderStr) |
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132 | |
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133 | |
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134 | // gather the input waves |
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135 | WAVE qVals = $(folderStr+"_q") |
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136 | // WAVE cw = smear_coef_sf |
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137 | // WAVE cw = smear_coef_pgs |
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138 | WAVE cw = smear_coef_BroadPeak |
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139 | |
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140 | // make a wave for the answer |
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141 | // Duplicate/O qvals answer, answer_builtIn |
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142 | Duplicate/O qvals answer_Quad |
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143 | |
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144 | // do the integration |
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145 | // Function IntegrateFn_N(fcn,loLim,upLim,w,x,nord) |
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146 | |
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147 | Variable loLim,upLim,nord |
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148 | |
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149 | nord = 76 // 20 quadrature points not enough for white beam (especially AgBeh test) |
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150 | |
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151 | loLim = 4/5.3 |
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152 | upLim = 8/5.3 |
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153 | |
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154 | // 2018: |
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155 | // my quadrature and the built-in function are equivalent. Romberg may be useful in some cases |
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156 | // especially for multiple integrals. then number of points and timing can be optimized. But either |
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157 | // method can be used. |
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158 | answer_Quad = IntegrateFn_N(V_WB_testKernel,loLim,upLim,cw,qVals,nord) |
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159 | |
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160 | |
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161 | // why do I need this? Is this because this is defined as the mean of the distribution |
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162 | // and is needed to normalize the integral? verify this on paper. |
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163 | answer_Quad *= 5.3 |
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164 | // answer_builtIn *= 5.3 |
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165 | |
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166 | SetDataFolder root: |
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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 | |
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172 | |
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173 | Function V_WB_testKernel(cw,x,dum) |
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174 | Wave cw |
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175 | Variable x // the q-value for the calculation |
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176 | Variable dum // the dummy integration variable |
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177 | |
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178 | Variable val |
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179 | SVAR funcStr = root:gFunctionString |
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180 | FUNCREF SANSModel_proto func = $funcStr |
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181 | |
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182 | // val = (1-dum*5.3/8)*BroadPeakX(cw,x/dum) |
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183 | val = (1-dum*5.3/8)*func(cw,x/dum) |
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184 | |
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185 | // val = V_WhiteBeamDist(dum*5.3)*BroadPeakX(cw,x/dum) |
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186 | val = V_WhiteBeamDist(dum*5.3)*func(cw,x/dum) |
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187 | |
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188 | return (val) |
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189 | End |
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190 | |
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191 | Proc WBDistr() |
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192 | |
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193 | make/O/D distr |
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194 | SetScale/I x 0.755,1.509,"", distr |
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195 | distr = (1-x*5.3/8) |
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196 | display distr |
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197 | |
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198 | end |
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199 | |
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200 | // the trick here is that declaring the last qVal wave as a variable |
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201 | // since this is implicitly called N times in the wave assignment of the answer wave |
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202 | Function Integrate_BuiltIn(cw,loLim,upLim,qVal) |
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203 | Wave cw |
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204 | Variable loLim,upLim |
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205 | Variable qVal |
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206 | |
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207 | Variable/G root:qq = qval |
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208 | Variable ans |
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209 | |
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210 | // ans = Integrate1D(intgrnd,lolim,uplim,2,0,cw) //adaptive quadrature |
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211 | ans = Integrate1D(intgrnd,lolim,uplim,1,0,cw) // Romberg integration |
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212 | |
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213 | return ans |
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214 | end |
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215 | |
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216 | |
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217 | // |
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218 | // See V_DunnyFunctions.ipf for the full list |
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219 | // |
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220 | //Function BroadPeakX_(cw,x) |
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221 | // Wave cw |
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222 | // Variable x |
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223 | // |
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224 | // return(BroadPeakX(cw,x)) |
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225 | //end |
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226 | |
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227 | Function intgrnd(cw,dum) |
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228 | Wave cw |
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229 | Variable dum // the dummy of the integration |
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230 | |
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231 | Variable val |
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232 | NVAR qq = root:qq //the q-value of the integration, not part of cw, so pass global |
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233 | SVAR funcStr = root:gFunctionString |
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234 | FUNCREF SANSModel_proto func = $funcStr |
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235 | |
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236 | // val = (1-dum*5.3/8)*BroadPeakX(cw,qq/dum) |
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237 | // val = (1-dum*5.3/8)*func(cw,qq/dum) |
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238 | |
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239 | // val = V_WhiteBeamDist(dum*5.3)*BroadPeakX(cw,qq/dum) |
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240 | val = V_WhiteBeamDist(dum*5.3)*func(cw,qq/dum) |
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241 | |
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242 | // val = V_WhiteBeamInterp(dum*5.3)*func(cw,qq/dum) |
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243 | |
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244 | return (val) |
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245 | End |
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246 | |
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247 | |
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248 | //////////////////////////// |
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249 | |
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250 | // need a function to return the model function name |
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251 | // given the coefficient wave |
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252 | // |
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253 | // want the function NameX for use in the integration, not the AAO function |
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254 | // |
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255 | |
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256 | // from the name of the coefficient wave, get the function name |
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257 | // be sure that there is no "Smeared" at the beginning of the name |
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258 | // tag X to the end of the name string |
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259 | // |
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260 | // then the funcString must be passed in as a global to the built-in integration function. |
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261 | // |
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262 | Function/S V_getXFuncStrFromCoef(cw) |
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263 | Wave cw |
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264 | |
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265 | String cwStr = NameOfWave(cw) |
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266 | String outStr = "",extStr="" |
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267 | |
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268 | // String convStr = ReplaceString("_",cwStr,".") // change the _ to . |
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269 | // extStr = ParseFilePath(4, convStr, ":", 0, 0) // extracts the last .nnn, without the . |
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270 | |
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271 | // go through the list of coefKWStr pairs |
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272 | // look for the cwStr |
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273 | // take up to the = (that is the funcStr) |
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274 | // remove "Smeared" if needed |
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275 | SVAR coefList=root:Packages:NIST:coefKWStr |
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276 | |
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277 | Variable ii,num |
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278 | String item |
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279 | |
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280 | num=ItemsInList(coefList,";") |
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281 | ii=0 |
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282 | do |
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283 | item = StringFromList(ii, coefList, ";") |
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284 | |
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285 | if(strsearch(item,cwStr,0) != -1) //match |
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286 | item = ReplaceString("=",item,".") //replace the = with . |
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287 | outStr = ParseFilePath(3, item, ":", 0, 0) // extract file name without extension |
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288 | outStr = ReplaceString("Smeared",outStr,"") // replace "Smeared" with null, if it's there |
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289 | ii = num + 1 |
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290 | endif |
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291 | |
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292 | ii+=1 |
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293 | while(ii<num) |
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294 | |
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295 | return(outStr+"X") |
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296 | end |
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297 | |
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298 | ////////////////////////////////////////// |
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299 | // generates dummy functions of the form: |
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300 | // |
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301 | //Function BroadPeakX_(cw,x) |
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302 | // Wave cw |
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303 | // Variable x |
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304 | // return(BroadPeakX(cw,x)) |
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305 | //End |
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306 | // |
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307 | // so that I can use the FUNCREF |
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308 | // which fails for some reason when I just use the XOP name? |
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309 | // |
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310 | // |
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311 | // not everything ending in X is a model function - trimmed list is in V_DummyFunctions.ipf |
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312 | // |
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313 | Function V_generateDummyFuncs() |
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314 | |
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315 | String list = FunctionList("*X",";","KIND:4") |
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316 | Variable ii,num |
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317 | String item,str |
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318 | |
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319 | num=ItemsInList(list,";") |
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320 | |
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321 | NewNotebook/N=Notebook1/F=0 |
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322 | |
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323 | |
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324 | for(ii=0;ii<num;ii+=1) |
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325 | item = StringFromList(ii,list,";") |
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326 | str = "\r" |
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327 | str = "Function "+item+"_(cw,x)\r" |
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328 | str += "\tWave cw\r" |
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329 | str += "\tVariable x\r" |
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330 | str += "\treturn("+item+"(cw,x))\r" |
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331 | str += "End\r\r" |
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332 | |
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333 | //print str |
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334 | |
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335 | Notebook $"", text=str |
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336 | |
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337 | endfor |
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338 | return(0) |
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339 | |
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340 | End |
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