1 | /** |
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2 | This software was developed by the University of Tennessee as part of the |
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3 | Distributed Data Analysis of Neutron Scattering Experiments (DANSE) |
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4 | project funded by the US National Science Foundation. |
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5 | |
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6 | If you use DANSE applications to do scientific research that leads to |
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7 | publication, we ask that you acknowledge the use of the software with the |
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8 | following sentence: |
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9 | |
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10 | "This work benefited from DANSE software developed under NSF award DMR-0520547." |
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11 | |
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12 | copyright 2008, University of Tennessee |
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13 | */ |
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14 | |
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15 | /** |
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16 | * Scattering model classes |
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17 | * The classes use the IGOR library found in |
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18 | * sansmodels/src/libigor |
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19 | * |
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20 | * TODO: refactor so that we pull in the old sansmodels.c_extensions |
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21 | * TODO: add 2D function |
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22 | */ |
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23 | |
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24 | #include <math.h> |
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25 | #include "models.hh" |
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26 | #include "parameters.hh" |
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27 | #include <stdio.h> |
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28 | using namespace std; |
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29 | |
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30 | extern "C" { |
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31 | #include "libCylinder.h" |
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32 | #include "lamellarPS.h" |
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33 | } |
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34 | |
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35 | LamellarPSModel :: LamellarPSModel() { |
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36 | scale = Parameter(1.0); |
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37 | spacing = Parameter(400.0); |
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38 | delta = Parameter(30.0, true); |
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39 | delta.set_min(0.0); |
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40 | sigma = Parameter(0.15, true); |
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41 | contrast = Parameter(5.3e-6); |
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42 | n_plates = Parameter(20.0); |
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43 | caille = Parameter(0.1); |
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44 | background = Parameter(0.0); |
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45 | |
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46 | } |
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47 | |
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48 | /** |
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49 | * Function to evaluate 1D scattering function |
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50 | * The NIST IGOR library is used for the actual calculation. |
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51 | * @param q: q-value |
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52 | * @return: function value |
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53 | */ |
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54 | double LamellarPSModel :: operator()(double q) { |
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55 | double dp[8]; |
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56 | |
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57 | // Fill parameter array for IGOR library |
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58 | // Add the background after averaging |
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59 | dp[0] = scale(); |
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60 | dp[1] = spacing(); |
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61 | dp[2] = delta(); |
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62 | dp[3] = sigma(); |
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63 | dp[4] = contrast(); |
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64 | dp[5] = n_plates(); |
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65 | dp[6] = caille(); |
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66 | dp[7] = background(); |
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67 | |
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68 | |
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69 | // Get the dispersion points for (delta) thickness |
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70 | vector<WeightPoint> weights_delta; |
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71 | delta.get_weights(weights_delta); |
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72 | |
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73 | // Perform the computation, with all weight points |
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74 | double sum = 0.0; |
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75 | double norm = 0.0; |
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76 | |
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77 | // Loop over short_edgeA weight points |
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78 | for(int i=0; i< (int)weights_delta.size(); i++) { |
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79 | dp[2] = weights_delta[i].value; |
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80 | |
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81 | sum += weights_delta[i].weight * LamellarPS(dp, q); |
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82 | norm += weights_delta[i].weight; |
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83 | |
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84 | } |
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85 | return sum/norm + background(); |
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86 | } |
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87 | /** |
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88 | * Function to evaluate 2D scattering function |
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89 | * @param q_x: value of Q along x |
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90 | * @param q_y: value of Q along y |
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91 | * @return: function value |
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92 | */ |
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93 | double LamellarPSModel :: operator()(double qx, double qy) { |
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94 | LamellarPSParameters dp; |
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95 | // Fill parameter array |
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96 | dp.scale = scale(); |
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97 | dp.spacing = spacing(); |
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98 | dp.delta = delta(); |
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99 | dp.sigma = sigma(); |
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100 | dp.contrast = contrast(); |
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101 | dp.n_plates = n_plates(); |
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102 | dp.caille = caille(); |
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103 | dp.background = background(); |
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104 | |
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105 | |
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106 | // Get the dispersion points for the delta |
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107 | vector<WeightPoint> weights_delta; |
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108 | delta.get_weights(weights_delta); |
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109 | |
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110 | // Perform the computation, with all weight points |
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111 | double sum = 0.0; |
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112 | double norm = 0.0; |
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113 | |
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114 | // Loop over radius weight points |
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115 | for(int i=0; i< (int)weights_delta.size(); i++) { |
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116 | dp.delta = weights_delta[i].value; |
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117 | |
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118 | sum += weights_delta[i].weight *lamellarPS_analytical_2DXY(&dp, qx, qy); |
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119 | norm += weights_delta[i].weight; |
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120 | } |
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121 | |
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122 | return sum/norm + background(); |
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123 | } |
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124 | |
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125 | |
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126 | /** |
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127 | * Function to evaluate 2D scattering function |
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128 | * @param pars: parameters of the cylinder |
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129 | * @param q: q-value |
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130 | * @param phi: angle phi |
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131 | * @return: function value |
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132 | */ |
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133 | double LamellarPSModel :: evaluate_rphi(double q, double phi) { |
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134 | double qx = q*cos(phi); |
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135 | double qy = q*sin(phi); |
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136 | return (*this).operator()(qx, qy); |
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137 | } |
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