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 | // |
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6 | // 17 DEC 04 SRK |
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7 | // |
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8 | // SumSANSModels.ipf |
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9 | // |
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10 | // Procedures to sum two SANS model into a function that can |
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11 | // be used to fit SANS data sets. does this by soliciting input |
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12 | // from the user through a panel. Needs the function names, the |
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13 | // names of the coefficients, and the number of parameters |
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14 | // (same information for each model) |
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15 | // |
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16 | // Then the "Plot" button on the panel creates the function |
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17 | // based on the panel selections. The model is named "Sum_Model", |
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18 | // the coef/params are "coef_sum" and "parameters_sum", respectively |
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19 | // |
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20 | // The two original coef/param waves are tacked together. No attempt |
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21 | // is made to remove duplicate parameters. This is up to the user |
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22 | // to keep appropriate values fixed. (especially background) |
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23 | // |
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24 | // Changing the popup values will not immediately change the output |
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25 | // function. The model must be re-plotted to "pick up" these new |
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26 | // selections. |
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27 | // |
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28 | // JUL 2007 |
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29 | // - data folder aware |
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30 | // - AAO, structure aware |
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31 | // (smeared fitting still broken) |
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32 | // - created data folders are now buried in myGlobals |
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33 | // DEC 07 |
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34 | // - created data folders are now :Packages:NIST:SumModel |
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35 | // |
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36 | /////////////////////////////// |
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37 | |
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38 | //create the panel as needed |
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39 | // |
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40 | Proc Init_SumModelPanel() |
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41 | DoWindow/F Sum_Model_Panel |
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42 | if(V_flag==0) |
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43 | if(!DataFolderExists("root:Packages:NIST")) |
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44 | NewDataFolder root:Packages:NIST |
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45 | endif |
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46 | NewDataFolder/O root:Packages:NIST:SumModel |
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47 | InitSMPGlobals() |
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48 | Sum_Model_Panel() |
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49 | endif |
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50 | end |
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51 | |
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52 | // create the globals that the panel needs |
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53 | // |
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54 | Function InitSMPGlobals() |
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55 | Variable/G root:Packages:NIST:SumModel:gNParMod1=0 |
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56 | Variable/G root:Packages:NIST:SumModel:gNParMod2=0 |
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57 | end |
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58 | |
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59 | Window Sum_Model_Panel() : Panel |
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60 | PauseUpdate; Silent 1 // building window... |
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61 | NewPanel /W=(670,75,900,450)/K=1 |
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62 | DoWindow/C Sum_Model_Panel |
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63 | SetDrawLayer UserBack |
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64 | SetDrawEnv fstyle= 1 |
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65 | DrawText 14,17,"Sum Two Model Functions" |
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66 | PopupMenu popup1_0,pos={15,69},size={131,20},title="Model" |
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67 | PopupMenu popup1_0,mode=1,popvalue="Pick model 1",value= #"SumModelPopupList()" |
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68 | PopupMenu popup2_0,pos={15,190},size={131,20},title="Model" |
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69 | PopupMenu popup2_0,mode=1,popvalue="Pick model 2",value= #"SumModelPopupList()" |
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70 | PopupMenu popup1_1,pos={15,98},size={173,20},title="Coef" |
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71 | PopupMenu popup1_1,mode=1,popvalue="Pick coef for model 1",value= #"CoefPopupList()",proc=Func_1_2PopMenuProc |
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72 | PopupMenu popup2_1,pos={15,221},size={173,20},title="Coef" |
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73 | PopupMenu popup2_1,mode=1,popvalue="Pick coef for model 2",value= #"CoefPopupList()",proc=Func_1_2PopMenuProc |
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74 | GroupBox group1,pos={5,50},size={216,107},title="Function # 1" |
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75 | SetVariable setvar1,pos={14,128},size={140,15},title="# of Parameters" |
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76 | SetVariable setvar1,limits={0,20,1},value= root:Packages:NIST:SumModel:gNParMod1 |
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77 | GroupBox group2,pos={5,171},size={216,107},title="Function # 2" |
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78 | SetVariable setvar2,pos={14,249},size={140,15},title="# of Parameters" |
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79 | SetVariable setvar2,limits={0,20,1},value= root:Packages:NIST:SumModel:gNParMod2 |
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80 | Button button0,pos={36,299},size={150,20},proc=PlotSumButtonProc,title="Plot Summed Model" |
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81 | Button button1,pos={15,330},size={190,20},proc=PlotSmearedSumButtonProc,title="Plot Smeared Summed Model" |
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82 | Button button2,pos={190,23},size={25,20},proc=Sum_HelpButtonProc,title="?" |
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83 | EndMacro |
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84 | |
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85 | Function Func_1_2PopMenuProc(pa) : PopupMenuControl |
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86 | STRUCT WMPopupAction &pa |
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87 | |
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88 | switch( pa.eventCode ) |
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89 | case 2: // mouse up |
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90 | Variable popNum = pa.popNum |
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91 | String popStr = pa.popStr |
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92 | String name=pa.ctrlName |
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93 | Variable num=0 |
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94 | |
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95 | Wave/Z coef=$("root:"+popStr) |
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96 | if(WaveExists(coef)) |
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97 | num=numpnts(coef) |
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98 | endif |
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99 | |
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100 | |
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101 | if(cmpstr(name,"popup1_1")==0) //function #1 |
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102 | NVAR pts1 = root:Packages:NIST:SumModel:gNParMod1 |
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103 | pts1 = num |
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104 | else |
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105 | NVAR pts2 = root:Packages:NIST:SumModel:gNParMod2 |
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106 | pts2 = num |
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107 | endif |
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108 | |
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109 | break |
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110 | endswitch |
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111 | |
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112 | return 0 |
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113 | End |
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114 | |
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115 | // show the available models |
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116 | // but not the smeared versions |
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117 | // not the f* |
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118 | // not the *X XOPS |
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119 | // |
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120 | // KIND:10 should show only user-defined curve fitting functions |
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121 | // - not XOPs |
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122 | // - not other user-defined functions |
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123 | Function/S SumModelPopupList() |
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124 | String list,tmp |
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125 | list = FunctionList("!Smear*",";","KIND:10") //don't show smeared models |
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126 | |
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127 | list = RemoveFromList("Sum_Model", list ,";") |
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128 | |
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129 | tmp = FunctionList("*_proto",";","KIND:10") //prototypes |
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130 | list = RemoveFromList(tmp, list ,";") |
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131 | |
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132 | // Print list |
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133 | tmp = GrepList(FunctionList("f*",";","KIND:10"),"^f") |
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134 | // tmp = FunctionList("f*",";","KIND:10") //point calculations |
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135 | |
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136 | // Print tmp |
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137 | |
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138 | list = RemoveFromList(tmp, list ,";") |
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139 | |
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140 | // this should be a null string with KIND:10 |
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141 | tmp = FunctionList("*X",";","KIND:10") //XOPs, also point calculations |
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142 | list = RemoveFromList(tmp, list ,";") |
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143 | |
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144 | // remove some odds and ends... |
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145 | tmp = "UpdateQxQy2Mat;" |
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146 | tmp += "MakeBSMask;" |
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147 | list = RemoveFromList(tmp, list ,";") |
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148 | |
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149 | return(list) |
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150 | End |
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151 | |
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152 | // show all the appropriate coefficient waves |
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153 | Function/S CoefPopupList() |
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154 | String list |
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155 | list = WaveList("coef*",";","") |
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156 | list = RemoveFromList("coef_sum", list ,";") |
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157 | return(list) |
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158 | End |
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159 | |
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160 | //button procedure |
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161 | Function PlotSumButtonProc(ctrlName) : ButtonControl |
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162 | String ctrlName |
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163 | |
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164 | Execute "PlotSum_Model()" |
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165 | End |
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166 | |
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167 | //button procedure |
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168 | Function PlotSmearedSumButtonProc(ctrlName) : ButtonControl |
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169 | String ctrlName |
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170 | |
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171 | Execute "PlotSmeared_Sum_Model()" |
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172 | End |
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173 | |
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174 | Function Sum_HelpButtonProc(ctrlName) : ButtonControl |
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175 | String ctrlName |
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176 | DisplayHelpTopic/Z/K=1 "Sum SANS Models" |
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177 | if(V_flag != 0) |
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178 | DoAlert 0, "The Sum SANS Models Help file can not be found" |
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179 | endif |
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180 | End |
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181 | |
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182 | ////////////////////////////// |
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183 | |
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184 | |
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185 | // this is the procedure that sets up the plot, just like |
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186 | // a normal procedure for a model function |
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187 | // - there's just a bit more going on, since it needs to |
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188 | // build things up based on the settings of the panel |
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189 | Proc PlotSum_Model(num,qmin,qmax) |
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190 | Variable num=128,qmin=0.001,qmax=0.7 |
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191 | Prompt num "Enter number of data points for model: " |
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192 | Prompt qmin "Enter minimum q-value (A^-1) for model: " |
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193 | Prompt qmax "Enter maximum q-value (A^-1) for model: " |
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194 | |
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195 | Make/O/D/n=(num) xwave_sum,ywave_sum |
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196 | xwave_sum = alog(log(qmin) + x*((log(qmax)-log(qmin))/num)) |
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197 | |
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198 | //make the coefficients and parameters based on the panel values |
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199 | Variable nParam,n1,n2 |
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200 | n1 = root:Packages:NIST:SumModel:gNParMod1 |
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201 | n2 = root:Packages:NIST:SumModel:gNParMod2 |
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202 | nParam = n1 + n2 |
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203 | if(n1==0 || n2==0 || nparam==0) |
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204 | Abort "# of parameters must not be zero" |
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205 | endif |
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206 | // n is ok, keep extra copy so changing panel will not affect functions |
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207 | Variable/G root:Packages:NIST:SumModel:gN1=n1 |
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208 | Variable/G root:Packages:NIST:SumModel:gN2=n2 |
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209 | |
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210 | // these are the function names - make global so the fit function |
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211 | // can find them |
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212 | ControlInfo/W=Sum_Model_Panel popup1_0 |
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213 | String/G root:Packages:NIST:SumModel:gModelStr1=S_Value |
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214 | ControlInfo/W=Sum_Model_Panel popup2_0 |
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215 | String/G root:Packages:NIST:SumModel:gModelStr2=S_Value |
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216 | |
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217 | //these are the coefficent waves - local only |
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218 | ControlInfo/W=Sum_Model_Panel popup1_1 |
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219 | String/G root:coefStr1=S_Value |
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220 | ControlInfo/W=Sum_Model_Panel popup2_1 |
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221 | String/G root:coefStr2=S_Value |
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222 | |
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223 | Make/O/D/N=(nParam) coef_sum |
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224 | coef_sum[0,(n1-1)] = $coefStr1 |
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225 | coef_sum[n1,(n1+n2-1)] = $coefStr2[p-n1] |
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226 | |
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227 | make/o/t/N=(nParam) parameters_sum |
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228 | String paramStr1 = "parameters"+coefStr1[4,strlen(coefStr1)-1] |
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229 | String paramStr2 = "parameters"+coefStr2[4,strlen(coefStr2)-1] |
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230 | parameters_sum[0,(n1-1)] = $paramStr1 |
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231 | parameters_sum[n1,(n1+n2-1)] = $paramStr2[p-n1] |
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232 | |
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233 | Edit parameters_sum,coef_sum |
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234 | |
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235 | Variable/G root:g_sum |
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236 | g_sum := Sum_Model(coef_sum,ywave_sum,xwave_sum) |
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237 | Display ywave_sum vs xwave_sum |
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238 | ModifyGraph log=1,marker=29,msize=2,mode=4 |
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239 | Label bottom "q (A\\S-1\\M)" |
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240 | Label left "Intensity (cm\\S-1\\M)" |
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241 | Legend |
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242 | AutoPositionWindow/M=1/R=$(WinName(0,1)) $WinName(0,2) |
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243 | |
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244 | AddModelToStrings("Sum_Model","coef_sum","parameters_sum","sum") |
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245 | |
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246 | // additional step to make sure the "helper waves" are the right dimension, in case the user |
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247 | // has changed the functions (M. Laver) |
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248 | // if it exists here, redimension. otherwise, let the Wrapper create it |
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249 | String suffix = "sum" |
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250 | if(exists("Hold_"+suffix) == 1) |
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251 | Redimension/N=(nParam) $("epsilon_"+suffix),$("Hold_"+suffix) |
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252 | Redimension/N=(nParam) $("LoLim_"+suffix),$("HiLim_"+suffix) |
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253 | $("epsilon_"+suffix) = abs(coef_sum*1e-4) + 1e-10 //default eps is proportional to the coefficients |
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254 | endif |
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255 | End |
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256 | |
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257 | // - sets up a dependency to a wrapper, not the actual SmearedModelFunction |
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258 | // the usual macro for plotting the smeared model, updated |
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259 | // to take input from the panel |
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260 | // |
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261 | // - somewhat confusing as the unsmeared coefficients are in root: |
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262 | // and all of the newly created smeared waves and coefficients are in the |
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263 | // selected data folder |
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264 | // |
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265 | Proc PlotSmeared_Sum_Model(str) |
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266 | String str |
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267 | Prompt str,"Pick the data folder containing the resolution you want",popup,getAList(4) |
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268 | |
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269 | // if any of the resolution waves are missing => abort |
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270 | if(ResolutionWavesMissingDF(str)) //updated to NOT use global strings (in GaussUtils) |
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271 | Abort |
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272 | endif |
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273 | |
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274 | SetDataFolder $("root:"+str) |
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275 | |
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276 | //make the coefficients and parameters based on the panel values |
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277 | Variable nParam,n1,n2 |
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278 | n1 = root:Packages:NIST:SumModel:gNParMod1 |
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279 | n2 = root:Packages:NIST:SumModel:gNParMod2 |
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280 | nParam = n1 + n2 |
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281 | if(n1==0 || n2==0 || nparam==0) |
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282 | Abort "# of parameters must not be zero" |
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283 | endif |
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284 | // n is ok, keep extra copy so changing panel will not affect functions |
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285 | Variable/G root:Packages:NIST:SumModel:gN1=n1 |
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286 | Variable/G root:Packages:NIST:SumModel:gN2=n2 |
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287 | |
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288 | // these are the function names - make global so the fit function |
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289 | // can find them |
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290 | ControlInfo/W=Sum_Model_Panel popup1_0 |
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291 | String/G root:Packages:NIST:SumModel:gModelStr1=S_Value |
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292 | ControlInfo/W=Sum_Model_Panel popup2_0 |
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293 | String/G root:Packages:NIST:SumModel:gModelStr2=S_Value |
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294 | |
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295 | //these are the coefficent waves - local only, in the current data folder! |
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296 | ControlInfo/W=Sum_Model_Panel popup1_1 |
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297 | String/G coefStr1=S_Value |
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298 | ControlInfo/W=Sum_Model_Panel popup2_1 |
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299 | String/G coefStr2=S_Value |
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300 | |
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301 | Make/O/D/N=(nParam) smear_coef_sum |
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302 | smear_coef_sum[0,(n1-1)] = $("root:"+coefStr1) |
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303 | smear_coef_sum[n1,(n1+n2-1)] = $("root:"+coefStr2)[p-n1] |
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304 | |
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305 | make/o/t/N=(nParam) smear_parameters_sum |
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306 | String paramStr1 = "parameters"+coefStr1[4,strlen(coefStr1)-1] |
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307 | String paramStr2 = "parameters"+coefStr2[4,strlen(coefStr2)-1] |
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308 | smear_parameters_sum[0,(n1-1)] = $("root:"+paramStr1) |
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309 | smear_parameters_sum[n1,(n1+n2-1)] = $("root:"+paramStr2)[p-n1] |
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310 | |
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311 | Edit smear_parameters_sum,smear_coef_sum |
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312 | |
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313 | // output smeared intensity wave, dimensions are identical to experimental QSIG values |
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314 | // make extra copy of experimental q-values for easy plotting |
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315 | Duplicate/O $(str+"_q") smeared_sum,smeared_qvals |
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316 | SetScale d,0,0,"1/cm",smeared_sum |
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317 | |
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318 | Variable/G gs_sum=0 |
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319 | gs_sum := fSmeared_Sum_Model(smear_coef_sum,smeared_sum,smeared_qvals) //this wrapper fills the STRUCT |
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320 | |
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321 | Display smeared_sum vs $(str+"_q") |
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322 | ModifyGraph log=1,marker=29,msize=2,mode=4 |
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323 | Label bottom "q (A\\S-1\\M)" |
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324 | Label left "Intensity (cm\\S-1\\M)" |
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325 | Legend |
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326 | AutoPositionWindow/M=1/R=$(WinName(0,1)) $WinName(0,2) |
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327 | |
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328 | SetDataFolder root: |
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329 | AddModelToStrings("Smeared_Sum_Model","smear_coef_sum","smear_parameters_sum","sum") |
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330 | |
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331 | // additional step to make sure the "helper waves" are the right dimension, in case the user |
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332 | // has changed the functions (M. Laver) |
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333 | SetDataFolder $("root:"+str) |
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334 | String suffix = "sum" |
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335 | if(exists("Hold_"+suffix) == 1) |
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336 | Redimension/N=(nParam) $("epsilon_"+suffix),$("Hold_"+suffix) |
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337 | Redimension/N=(nParam) $("LoLim_"+suffix),$("HiLim_"+suffix) |
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338 | $("epsilon_"+suffix) = abs(smear_coef_sum*1e-4) + 1e-10 //default eps is proportional to the coefficients |
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339 | endif |
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340 | SetDataFolder root: |
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341 | End |
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342 | |
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343 | |
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344 | // this is the actual fitting function that is the |
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345 | // sum of the two selected models. |
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346 | // |
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347 | // this is an AAO function, there is no XOP version |
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348 | // since it should be the sum of two XOPs |
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349 | // |
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350 | Function Sum_Model(w,yw,xw) : FitFunc |
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351 | Wave w,yw,xw |
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352 | |
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353 | SVAR funcStr1=root:Packages:NIST:SumModel:gModelStr1 //string names of the functions, set by the macro |
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354 | SVAR funcStr2=root:Packages:NIST:SumModel:gModelStr2 |
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355 | NVAR n1=root:Packages:NIST:SumModel:gN1 //number of coefficients, set by the macro |
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356 | NVAR n2=root:Packages:NIST:SumModel:gN2 |
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357 | |
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358 | Variable retVal |
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359 | |
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360 | FUNCREF SANSModelAAO_proto f1 = $funcStr1 //convert str to FCN |
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361 | FUNCREF SANSModelAAO_proto f2 = $funcStr2 |
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362 | // make temporary coefficient waves for each model |
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363 | Make/O/D/N=(n1) temp_cw1 |
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364 | Make/O/D/N=(n2) temp_cw2 |
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365 | temp_cw1 = w[p] |
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366 | temp_cw2 = w[p+n1] |
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367 | |
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368 | // calculate the sum of each of the AAO functions |
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369 | Duplicate/O xw tmp_sum_yw1,tmp_sum_yw2 |
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370 | |
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371 | f1(temp_cw1,tmp_sum_yw1,xw) |
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372 | f2(temp_cw2,tmp_sum_yw2,xw) |
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373 | yw = tmp_sum_yw1 + tmp_sum_yw2 |
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374 | |
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375 | return(0) |
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376 | end |
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377 | |
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378 | // this is all there is to the smeared calculation! |
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379 | Function Smeared_Sum_Model(s) : FitFunc |
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380 | Struct ResSmearAAOStruct &s |
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381 | |
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382 | // the name of your unsmeared model (AAO) is the first argument |
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383 | Smear_Model_20(Sum_Model,s.coefW,s.xW,s.yW,s.resW) |
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384 | |
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385 | return(0) |
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386 | End |
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387 | |
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388 | //wrapper to calculate the smeared model as an AAO-Struct |
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389 | // fills the struct and calls the ususal function with the STRUCT parameter |
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390 | // |
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391 | // used only for the dependency, not for fitting |
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392 | // |
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393 | Function fSmeared_Sum_Model(coefW,yW,xW) |
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394 | Wave coefW,yW,xW |
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395 | |
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396 | String str = getWavesDataFolder(yW,0) |
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397 | String DF="root:"+str+":" |
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398 | |
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399 | WAVE resW = $(DF+str+"_res") |
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400 | |
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401 | STRUCT ResSmearAAOStruct fs |
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402 | WAVE fs.coefW = coefW |
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403 | WAVE fs.yW = yW |
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404 | WAVE fs.xW = xW |
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405 | WAVE fs.resW = resW |
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406 | |
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407 | Variable err |
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408 | err = Smeared_Sum_Model(fs) |
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409 | |
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410 | return (0) |
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411 | End |
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412 | |
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413 | //procedures to clean up after itself |
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414 | Function UnloadSumModel() |
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415 | if (WinType("Sum_Model_Panel") == 7) |
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416 | DoWindow/K Sum_Model_Panel |
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417 | endif |
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418 | SVAR fileVerExt=root:Packages:NIST:SANS_ANA_EXTENSION |
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419 | String fname="SumSANSModels" |
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420 | Execute/P "DELETEINCLUDE \""+fname+fileVerExt+"\"" |
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421 | Execute/P "COMPILEPROCEDURES " |
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422 | end |
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423 | |
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424 | Menu "SANS Models" |
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425 | Submenu "Packages" |
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426 | "Unload Sum SANS Models", UnloadSumModel() |
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427 | End |
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428 | end |
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