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 | */ |
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22 | |
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23 | #include <math.h> |
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24 | #include "models.hh" |
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25 | #include "parameters.hh" |
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26 | #include <stdio.h> |
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27 | using namespace std; |
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28 | |
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29 | extern "C" { |
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30 | #include "libCylinder.h" |
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31 | #include "lamellarFF_HG.h" |
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32 | } |
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33 | |
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34 | LamellarFFHGModel :: LamellarFFHGModel() { |
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35 | scale = Parameter(1.0); |
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36 | t_length = Parameter(15.0, true); |
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37 | t_length.set_min(0.0); |
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38 | h_thickness = Parameter(10.0, true); |
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39 | h_thickness.set_min(0.0); |
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40 | sld_tail = Parameter(4e-7); |
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41 | sld_head = Parameter(3e-6); |
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42 | sld_solvent = Parameter(6e-6); |
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43 | background = Parameter(0.0); |
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44 | |
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45 | } |
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46 | |
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47 | /** |
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48 | * Function to evaluate 1D scattering function |
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49 | * The NIST IGOR library is used for the actual calculation. |
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50 | * @param q: q-value |
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51 | * @return: function value |
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52 | */ |
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53 | double LamellarFFHGModel :: operator()(double q) { |
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54 | double dp[7]; |
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55 | |
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56 | // Fill parameter array for IGOR library |
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57 | // Add the background after averaging |
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58 | dp[0] = scale(); |
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59 | dp[1] = t_length(); |
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60 | dp[2] = h_thickness(); |
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61 | dp[3] = sld_tail(); |
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62 | dp[4] = sld_head(); |
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63 | dp[5] = sld_solvent(); |
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64 | dp[6] = 0.0; |
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65 | |
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66 | // Get the dispersion points for the tail length |
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67 | vector<WeightPoint> weights_t_length; |
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68 | t_length.get_weights(weights_t_length); |
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69 | |
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70 | // Get the dispersion points for the head thickness |
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71 | vector<WeightPoint> weights_h_thickness; |
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72 | h_thickness.get_weights(weights_h_thickness); |
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73 | |
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74 | // Perform the computation, with all weight points |
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75 | double sum = 0.0; |
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76 | double norm = 0.0; |
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77 | |
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78 | // Loop over semi axis A weight points |
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79 | for(int i=0; i< (int)weights_t_length.size(); i++) { |
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80 | dp[1] = weights_t_length[i].value; |
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81 | |
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82 | for (int j=0; j< (int)weights_h_thickness.size(); j++){ |
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83 | dp[2] = weights_h_thickness[j].value; |
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84 | |
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85 | sum += weights_t_length[i].weight* weights_h_thickness[j].weight*LamellarFF_HG(dp, q); |
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86 | norm += weights_t_length[i].weight* weights_h_thickness[j].weight; |
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87 | } |
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88 | |
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89 | } |
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90 | return sum/norm + background(); |
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91 | } |
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92 | |
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93 | /** |
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94 | * Function to evaluate 2D scattering function |
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95 | * @param q_x: value of Q along x |
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96 | * @param q_y: value of Q along y |
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97 | * @return: function value |
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98 | */ |
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99 | |
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100 | double LamellarFFHGModel :: operator()(double qx, double qy) { |
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101 | double q = sqrt(qx*qx + qy*qy); |
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102 | return (*this).operator()(q); |
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103 | } |
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104 | |
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105 | /** |
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106 | * Function to evaluate 2D scattering function |
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107 | * @param pars: parameters of the lamellar |
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108 | * @param q: q-value |
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109 | * @param phi: angle phi |
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110 | * @return: function value |
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111 | */ |
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112 | double LamellarFFHGModel :: evaluate_rphi(double q, double phi) { |
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113 | return (*this).operator()(q); |
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114 | } |
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