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 | // C. Glinka, 11-22-98 |
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6 | //////////////// |
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7 | |
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8 | |
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9 | //Debye-Anderson-Brumberger |
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10 | |
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11 | |
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12 | Proc PlotDAB(num,qmin,qmax) |
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13 | Variable num=512, qmin=.001, qmax=.7 |
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14 | Prompt num "Enter number of data points for model: " |
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15 | Prompt qmin "Enter minimum q-value (^1) for model: " |
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16 | Prompt qmax "Enter maximum q-value (^1) for model: " |
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17 | // |
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18 | Make/O/D/n=(num) xwave_DAB, ywave_DAB |
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19 | xwave_DAB = alog(log(qmin) + x*((log(qmax)-log(qmin))/num)) |
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20 | Make/O/D coef_DAB = {10.0, 40, 1.0} |
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21 | make/o/t parameters_DAB = {"Scale Factor, A ", "Correlation Length ()", "Incoherent Bgd (cm-1)"} |
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22 | Edit parameters_DAB, coef_DAB |
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23 | Variable/G root:g_DAB |
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24 | g_DAB := DAB_Model(coef_DAB, ywave_DAB, xwave_DAB) |
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25 | // ywave_DAB := DAB_Model(coef_DAB, xwave_DAB) |
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26 | Display ywave_DAB vs xwave_DAB |
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27 | ModifyGraph marker=29, msize=2, mode=4 |
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28 | ModifyGraph log(left)=1 |
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29 | Label bottom "q (\\S-1\\M) " |
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30 | Label left "Debye-Anderson-Brumberger Model (cm\\S-1\\M)" |
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31 | AutoPositionWindow/M=1/R=$(WinName(0,1)) $WinName(0,2) |
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32 | End |
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33 | |
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34 | //////////////////////////////////////////////////// |
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35 | // - sets up a dependency to a wrapper, not the actual SmearedModelFunction |
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36 | Proc PlotSmearedDAB(str) |
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37 | String str |
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38 | Prompt str,"Pick the data folder conatining the resolution you want",popup,getAList(4) |
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39 | |
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40 | // if any of the resolution waves are missing => abort |
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41 | if(ResolutionWavesMissingDF(str)) //updated to NOT use global strings (in GaussUtils) |
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42 | Abort |
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43 | endif |
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44 | |
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45 | SetDataFolder $("root:"+str) |
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46 | |
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47 | // Setup parameter table for model function |
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48 | Make/O/D smear_coef_DAB = {10.0, 40, 1.0} //model coef values to match unsmeared model above |
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49 | make/o/t smear_parameters_DAB = {"Scale Factor, A ", "Correlation Length ()", "Incoherent Bgd (cm-1)"}// parameter names |
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50 | Edit smear_parameters_DAB,smear_coef_DAB //display parameters in a table |
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51 | |
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52 | // output smeared intensity wave, dimensions are identical to experimental QSIG values |
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53 | // make extra copy of experimental q-values for easy plotting |
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54 | Duplicate/O $(str+"_q") smeared_DAB,smeared_qvals // |
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55 | SetScale d,0,0,"1/cm",smeared_DAB // |
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56 | |
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57 | Variable/G gs_DAB=0 |
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58 | gs_DAB := fSmearedDAB_Model(smear_coef_DAB,smeared_DAB,smeared_qvals) //this wrapper fills the STRUCT |
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59 | |
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60 | Display smeared_DAB vs smeared_qvals // |
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61 | ModifyGraph log=1,marker=29,msize=2,mode=4 |
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62 | Label bottom "q (\\S-1\\M)" |
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63 | Label left "Debye-Anderson-Brumberger Model (cm\\S-1\\M)" |
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64 | AutoPositionWindow/M=1/R=$(WinName(0,1)) $WinName(0,2) |
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65 | |
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66 | SetDataFolder root: |
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67 | End |
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68 | |
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69 | //AAO version |
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70 | Function DAB_model(cw,yw,xw) : FitFunc |
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71 | Wave cw,yw,xw |
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72 | |
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73 | #if exists("DAB_modelX") |
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74 | yw = DAB_modelX(cw,xw) |
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75 | #else |
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76 | yw = fDAB_model(cw,xw) |
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77 | #endif |
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78 | return(0) |
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79 | End |
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80 | |
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81 | Function fDAB_model(w,x) : FitFunc |
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82 | Wave w |
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83 | Variable x |
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84 | // Input (fitting) variables are: |
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85 | //[0] scale factor |
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86 | //[1] correlation range |
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87 | //[2] incoherent background |
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88 | // give them nice names |
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89 | Variable Izero, range, incoh |
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90 | Izero = w[0] |
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91 | range = w[1] |
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92 | incoh = w[2] |
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93 | // local variables |
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94 | Variable inten, qval |
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95 | // x is the q-value for the calculation |
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96 | qval = x |
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97 | // do the calculation and return the function value |
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98 | |
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99 | inten = Izero/(1 + (qval*range)^2)^2 + incoh |
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100 | Return (inten) |
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101 | End |
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102 | ///////////////////////////////////////////////////////////////////////////////// |
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103 | |
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104 | // this is all there is to the smeared calculation! |
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105 | Function SmearedDAB_Model(s) :FitFunc |
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106 | Struct ResSmearAAOStruct &s |
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107 | |
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108 | ////the name of your unsmeared model is the first argument |
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109 | s.yW = Smear_Model_20(DAB_Model,s.coefW,s.xW,s.resW) |
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110 | |
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111 | return(0) |
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112 | End |
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113 | |
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114 | //wrapper to calculate the smeared model as an AAO-Struct |
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115 | // fills the struct and calls the ususal function with the STRUCT parameter |
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116 | // |
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117 | // used only for the dependency, not for fitting |
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118 | // |
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119 | Function fSmearedDAB_Model(coefW,yW,xW) |
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120 | Wave coefW,yW,xW |
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121 | |
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122 | String str = getWavesDataFolder(yW,0) |
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123 | String DF="root:"+str+":" |
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124 | |
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125 | WAVE resW = $(DF+str+"_res") |
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126 | |
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127 | STRUCT ResSmearAAOStruct fs |
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128 | WAVE fs.coefW = coefW |
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129 | WAVE fs.yW = yW |
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130 | WAVE fs.xW = xW |
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131 | WAVE fs.resW = resW |
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132 | |
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133 | Variable err |
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134 | err = SmearedDAB_Model(fs) |
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135 | |
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136 | return (0) |
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137 | End |
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