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 | */ |
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21 | |
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22 | #include <math.h> |
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23 | #include "parameters.hh" |
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24 | #include <stdio.h> |
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25 | using namespace std; |
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26 | #include "Hardsphere.h" |
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27 | |
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28 | extern "C" { |
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29 | #include "libStructureFactor.h" |
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30 | } |
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31 | |
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32 | HardsphereStructure :: HardsphereStructure() { |
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33 | effect_radius = Parameter(50.0, true); |
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34 | effect_radius.set_min(0.0); |
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35 | volfraction = Parameter(0.20, true); |
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36 | volfraction.set_min(0.0); |
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37 | } |
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38 | |
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39 | /** |
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40 | * Function to evaluate 1D scattering function |
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41 | * The NIST IGOR library is used for the actual calculation. |
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42 | * @param q: q-value |
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43 | * @return: function value |
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44 | */ |
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45 | double HardsphereStructure :: operator()(double q) { |
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46 | double dp[2]; |
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47 | |
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48 | // Fill parameter array for IGOR library |
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49 | // Add the background after averaging |
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50 | dp[0] = effect_radius(); |
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51 | dp[1] = volfraction(); |
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52 | |
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53 | // Get the dispersion points for the radius |
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54 | vector<WeightPoint> weights_rad; |
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55 | effect_radius.get_weights(weights_rad); |
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56 | |
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57 | // Perform the computation, with all weight points |
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58 | double sum = 0.0; |
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59 | double norm = 0.0; |
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60 | |
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61 | // Loop over radius weight points |
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62 | for(size_t i=0; i<weights_rad.size(); i++) { |
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63 | dp[0] = weights_rad[i].value; |
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64 | |
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65 | sum += weights_rad[i].weight |
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66 | * HardSphereStruct(dp, q); |
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67 | norm += weights_rad[i].weight; |
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68 | } |
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69 | return sum/norm ; |
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70 | } |
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71 | |
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72 | /** |
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73 | * Function to evaluate 2D scattering function |
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74 | * @param q_x: value of Q along x |
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75 | * @param q_y: value of Q along y |
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76 | * @return: function value |
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77 | */ |
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78 | double HardsphereStructure :: operator()(double qx, double qy) { |
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79 | double q = sqrt(qx*qx + qy*qy); |
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80 | return (*this).operator()(q); |
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81 | } |
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82 | |
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83 | /** |
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84 | * Function to evaluate 2D scattering function |
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85 | * @param pars: parameters of the cylinder |
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86 | * @param q: q-value |
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87 | * @param phi: angle phi |
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88 | * @return: function value |
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89 | */ |
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90 | double HardsphereStructure :: evaluate_rphi(double q, double phi) { |
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91 | double qx = q*cos(phi); |
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92 | double qy = q*sin(phi); |
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93 | return (*this).operator()(qx, qy); |
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94 | } |
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95 | /** |
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96 | * Function to calculate effective radius |
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97 | * @return: effective radius value |
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98 | */ |
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99 | double HardsphereStructure :: calculate_ER() { |
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100 | //NOT implemented yet!!! |
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101 | return 0.0; |
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102 | } |
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103 | double HardsphereStructure :: calculate_VR() { |
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104 | return 1.0; |
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105 | } |
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