1 | #if !defined(o_h) |
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2 | #define pearl_necklace_h |
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3 | #include "parameters.hh" |
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4 | |
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5 | /** |
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6 | * Structure definition for sphere parameters |
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7 | */ |
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8 | //[PYTHONCLASS] = PearlNecklaceModel |
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9 | //[DISP_PARAMS] = radius, edge_separation |
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10 | //[DESCRIPTION] =<text>Calculate form factor for Pearl Necklace Model |
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11 | // [Macromol. Symp. 2004, 211, 25-42] |
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12 | // Parameters: |
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13 | // background:background |
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14 | // scale: scale factor |
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15 | // sld_pearl: the SLD of the pearl spheres |
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16 | // sld_string: the SLD of the strings |
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17 | // sld_solv: the SLD of the solvent |
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18 | // num_pearls: number of the pearls |
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19 | // radius: the radius of a pearl |
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20 | // edge_separation: the length of string segment; surface to surface |
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21 | // thick_string: thickness (ie, diameter) of the string |
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22 | // </text> |
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23 | //[FIXED]= <text>radius.width; edge_separation.width</text> |
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24 | //[NON_FITTABLE_PARAMS]= <text></text> |
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25 | //[ORIENTATION_PARAMS]= <text> </text> |
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26 | |
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27 | typedef struct { |
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28 | /// Scale factor |
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29 | // [DEFAULT]=scale= 1.0 |
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30 | double scale; |
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31 | /// radius [A] |
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32 | // [DEFAULT]=radius=80.0 [A] |
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33 | double radius; |
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34 | /// edge_separation |
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35 | // [DEFAULT]=edge_separation= 350 [A] |
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36 | double edge_separation; |
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37 | /// thick_string [A] |
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38 | // [DEFAULT]=thick_string= 2.5 [A] |
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39 | double thick_string; |
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40 | /// num_pearls |
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41 | // [DEFAULT]=num_pearls= 3 |
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42 | double num_pearls; |
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43 | /// sld_pearl |
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44 | // [DEFAULT]=sld_pearl= 1.0e-06 [1/A^(2)] |
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45 | double sld_pearl; |
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46 | /// sld_string |
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47 | // [DEFAULT]=sld_string= 1.0e-06 [1/A^(2)] |
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48 | double sld_string; |
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49 | /// sld_solv |
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50 | // [DEFAULT]=sld_solv= 6.3e-06 [1/A^(2)] |
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51 | double sld_solv; |
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52 | /// Background |
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53 | // [DEFAULT]=background=0 |
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54 | double background; |
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55 | |
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56 | }PeralNecklaceParameters; |
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57 | |
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58 | |
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59 | |
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60 | class PearlNecklaceModel{ |
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61 | public: |
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62 | // Model parameters |
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63 | /// Scale factor |
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64 | // [DEFAULT]=scale= 1.0 |
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65 | Parameter scale; |
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66 | /// radius [A] |
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67 | // [DEFAULT]=radius=80.0 [A] |
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68 | Parameter radius; |
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69 | /// edge_separation |
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70 | // [DEFAULT]=edge_separation= 350 [A] |
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71 | Parameter edge_separation; |
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72 | /// thick_string [A] |
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73 | // [DEFAULT]=thick_string= 2.5 [A] |
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74 | Parameter thick_string; |
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75 | /// num_pearls |
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76 | // [DEFAULT]=num_pearls= 3 |
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77 | Parameter num_pearls; |
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78 | /// sld_pearl |
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79 | // [DEFAULT]=sld_pearl= 1.0e-06 [1/A^(2)] |
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80 | Parameter sld_pearl; |
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81 | /// sld_string |
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82 | // [DEFAULT]=sld_string= 1.0e-06 [1/A^(2)] |
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83 | Parameter sld_string; |
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84 | /// sld_solv |
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85 | // [DEFAULT]=sld_solv= 6.3e-06 [1/A^(2)] |
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86 | Parameter sld_solv; |
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87 | /// Background |
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88 | // [DEFAULT]=background=0 |
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89 | Parameter background; |
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90 | |
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91 | // Constructor |
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92 | PearlNecklaceModel(); |
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93 | |
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94 | // Operators to get I(Q) |
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95 | double operator()(double q); |
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96 | double operator()(double qx, double qy); |
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97 | double calculate_ER(); |
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98 | double calculate_VR(); |
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99 | double evaluate_rphi(double q, double phi); |
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100 | }; |
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101 | |
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102 | #endif |
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