1 | #if !defined(micelleSphCore_h) |
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2 | #define micelleSphCore_h |
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3 | #include "parameters.hh" |
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4 | |
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5 | /** |
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6 | [PYTHONCLASS] = MicelleSphCoreModel |
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7 | [DISP_PARAMS] = radius_core, radius_gyr |
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8 | [DESCRIPTION] = <text> |
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9 | Model parameters: |
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10 | ndensity : number density of micelles |
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11 | v_core: volume block in core |
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12 | v_corona: volume block in corona |
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13 | rho_solv: sld of solvent |
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14 | rho_core: sld of core |
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15 | rho_corona: sld of corona |
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16 | radius_core: radius of core |
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17 | radius_gyr: radius of gyration of chains in corona |
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18 | d_penetration: close to unity, mimics non-penetration of gaussian chains |
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19 | n_aggreg: aggregation number of the micelle |
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20 | background: incoherent background |
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21 | scale : scale factor |
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22 | </text> |
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23 | [FIXED]= <text> radius_core.width; radius_gyr.width </text> |
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24 | [ORIENTATION_PARAMS]= <text> </text> |
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25 | **/ |
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26 | |
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27 | class MicelleSphCoreModel{ |
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28 | public: |
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29 | |
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30 | // Model parameters |
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31 | |
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32 | /// Scale factor |
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33 | // [DEFAULT]=scale= 1.0 |
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34 | Parameter scale; |
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35 | |
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36 | /// Number density of micelles [1/cm^(3)] |
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37 | // [DEFAULT]=ndensity= 8.94e15 [1/cm^(3)] |
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38 | Parameter ndensity; |
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39 | |
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40 | /// Core volume [A] |
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41 | // [DEFAULT]=v_core= 62624. [A^3] |
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42 | Parameter v_core; |
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43 | |
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44 | /// Corona volume [A^(3)] |
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45 | // [DEFAULT]=v_corona= 61940. [A^(3)] |
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46 | Parameter v_corona; |
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47 | |
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48 | /// solvent scattering length density [1/A^(2)] |
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49 | // [DEFAULT]=rho_solv= 6.4e-6 [1/A^(2)] |
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50 | Parameter rho_solv; |
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51 | |
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52 | /// core scattering length density [1/A^(2)] |
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53 | // [DEFAULT]=rho_core= 3.4e-7 [1/A^(2)] |
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54 | Parameter rho_core; |
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55 | |
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56 | /// corona scattering length density [1/A^(2)] |
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57 | // [DEFAULT]=rho_corona= 8.0e-7 [1/A^(2)] |
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58 | Parameter rho_corona; |
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59 | |
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60 | /// core radius [A] |
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61 | // [DEFAULT]=radius_core= 45.0 [A] |
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62 | Parameter radius_core; |
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63 | |
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64 | /// radius of gyration of chains in corona[A] |
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65 | // [DEFAULT]=radius_gyr= 20.0 [A] |
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66 | Parameter radius_gyr; |
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67 | |
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68 | /// d factor to mimic non-penetration of Gaussian chains, close to unity |
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69 | // [DEFAULT]=d_penetration= 1.0 |
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70 | Parameter d_penetration; |
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71 | |
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72 | /// aggregation number of the micelle |
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73 | // [DEFAULT]=n_aggreg= 6.0 |
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74 | Parameter n_aggreg; |
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75 | |
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76 | /// Incoherent Background [1/cm] |
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77 | // [DEFAULT]=background=0 [1/cm] |
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78 | Parameter background; |
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79 | |
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80 | //Constructor |
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81 | MicelleSphCoreModel(); |
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82 | |
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83 | // Operators to get I(Q) |
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84 | double operator()(double q); |
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85 | double operator()(double qx, double qy); |
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86 | double calculate_ER(); |
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87 | double calculate_VR(); |
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88 | double evaluate_rphi(double q, double phi); |
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89 | }; |
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90 | #endif |
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