1 | #if !defined(core_shell_bicelle_h) |
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2 | #define core_shell_bicelle_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 core-shell bicelle parameters |
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7 | */ |
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8 | //[PYTHONCLASS] = CoreShellBicelleModel |
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9 | //[DISP_PARAMS] = radius, rim_thick, length, face_thick, axis_theta, axis_phi |
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10 | //[DESCRIPTION] = <text>P(q,alpha)= scale/Vs*f(q)^(2) + bkg, where: f(q)= 2(core_sld |
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11 | // - solvant_sld)* Vc*sin[qLcos(alpha/2)] |
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12 | // /[qLcos(alpha/2)]*J1(qRsin(alpha)) |
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13 | // /[qRsin(alpha)]+2(shell_sld-solvent_sld) |
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14 | // *Vs*sin[q(L+T)cos(alpha/2)][[q(L+T) |
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15 | // *cos(alpha/2)]*J1(q(R+T)sin(alpha)) |
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16 | // /q(R+T)sin(alpha)] |
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17 | // |
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18 | // alpha:is the angle between the axis of |
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19 | // the cylinder and the q-vector |
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20 | // Vs: the volume of the outer shell |
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21 | // Vc: the volume of the core |
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22 | // L: the length of the core |
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23 | // shell_sld: the scattering length density |
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24 | // of the shell |
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25 | // solvent_sld: the scattering length density |
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26 | // of the solvent |
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27 | // bkg: the background |
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28 | // T: the thickness |
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29 | // R+T: is the outer radius |
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30 | // L+2T: The total length of the outershell |
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31 | // J1: the first order Bessel function |
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32 | // theta: axis_theta of the cylinder |
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33 | // phi: the axis_phi of the cylinder... |
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34 | // </text> |
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35 | //[FIXED]= <text> axis_phi.width; axis_theta.width; length.width;radius.width; rim_thick.width;face_thick.width</text> |
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36 | //[ORIENTATION_PARAMS]= axis_phi; axis_theta;axis_phi.width; axis_theta.width |
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37 | |
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38 | class CoreShellBicelleModel{ |
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39 | public: |
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40 | // Model parameters |
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41 | |
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42 | /// Core radius [A] |
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43 | // [DEFAULT]=radius=20.0 [A] |
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44 | Parameter radius; |
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45 | |
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46 | /// Scale factor |
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47 | // [DEFAULT]=scale=1.0 |
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48 | Parameter scale; |
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49 | |
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50 | /// Shell rim thickness [A] |
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51 | // [DEFAULT]=rim_thick=10.0 [A] |
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52 | Parameter rim_thick; |
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53 | |
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54 | /// Shell face_thick [A] |
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55 | // [DEFAULT]=face_thick=10.0 [A] |
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56 | Parameter face_thick; |
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57 | |
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58 | /// Core length [A] |
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59 | // [DEFAULT]=length=400.0 [A] |
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60 | Parameter length; |
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61 | |
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62 | /// Core SLD [1/A^(2)] |
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63 | // [DEFAULT]=core_sld=1.0e-6 [1/A^(2)] |
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64 | Parameter core_sld; |
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65 | |
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66 | /// Shell face SLD [1/A^(2)] |
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67 | // [DEFAULT]=face_sld=4.0e-6 [1/A^(2)] |
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68 | Parameter face_sld; |
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69 | |
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70 | /// Shell rim SLD [1/A^(2)] |
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71 | // [DEFAULT]=rim_sld=4.0e-6 [1/A^(2)] |
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72 | Parameter rim_sld; |
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73 | |
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74 | /// Solvent SLD [1/A^(2)] |
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75 | // [DEFAULT]=solvent_sld=1.0e-6 [1/A^(2)] |
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76 | Parameter solvent_sld; |
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77 | |
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78 | /// Incoherent Background [1/cm] |
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79 | // [DEFAULT]=background=0 [1/cm] |
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80 | Parameter background; |
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81 | |
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82 | /// Orientation of the long axis of the core-shell cylinder w/respect incoming beam [deg] |
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83 | // [DEFAULT]=axis_theta=90.0 [deg] |
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84 | Parameter axis_theta; |
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85 | |
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86 | /// Orientation of the long axis of the core-shell cylinder in the plane of the detector [deg] |
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87 | // [DEFAULT]=axis_phi=0.0 [deg] |
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88 | Parameter axis_phi; |
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89 | |
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90 | // Constructor |
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91 | CoreShellBicelleModel(); |
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92 | |
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93 | // Operators to get I(Q) |
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94 | double operator()(double q); |
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95 | double operator()(double qx, double qy); |
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96 | double calculate_ER(); |
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97 | double calculate_VR(); |
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98 | double evaluate_rphi(double q, double phi); |
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99 | }; |
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100 | |
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101 | #endif |
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