1 | #if !defined(core_shell_h) |
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2 | #define core_shell_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 parameters |
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7 | */ |
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8 | //[PYTHONCLASS] = CoreShellModel |
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9 | //[DISP_PARAMS] = radius, thickness |
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10 | //[DESCRIPTION] =<text>Form factor for a monodisperse spherical particle with particle |
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11 | // with a core-shell structure: |
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12 | // |
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13 | // The form factor is normalized by the |
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14 | // total particle volume. |
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15 | // |
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16 | // radius: core radius, thickness: shell thickness |
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17 | // |
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18 | // Ref: Guinier, A. and G. Fournet, |
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19 | // John Wiley and Sons, New York, 1955. |
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20 | // </text> |
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21 | //[FIXED]= <text> thickness.width;radius.width</text> |
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22 | //[ORIENTATION_PARAMS]= <text> M0_sld_shell; M_theta_shell; M_phi_shell; M0_sld_core; M_theta_core; M_phi_core;M0_sld_solv; M_theta_solv; M_phi_solv; Up_frac_i; Up_frac_f; Up_theta; </text> |
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23 | //[MAGNETIC_PARAMS]= <text> M0_sld_shell; M_theta_shell; M_phi_shell;M0_sld_core; M_theta_core; M_phi_core; M0_sld_solv; M_theta_solv; M_phi_solv; Up_frac_i; Up_frac_f; Up_theta; </text> |
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24 | |
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25 | |
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26 | class CoreShellModel{ |
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27 | public: |
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28 | // Model parameters |
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29 | |
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30 | /// Core Radius [A] 60.0 |
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31 | // [DEFAULT]=radius=60.0 [A] |
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32 | Parameter radius; |
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33 | /// Scale factor |
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34 | // [DEFAULT]=scale=1.0 |
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35 | Parameter scale; |
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36 | /// Shell Thickness [A] 10.0 |
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37 | // [DEFAULT]=thickness=10 [A] |
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38 | Parameter thickness; |
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39 | /// Core SLD [1/A^(2)] 1.0e-6 |
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40 | // [DEFAULT]=core_sld=1.0e-6 [1/A^(2)] |
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41 | Parameter core_sld; |
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42 | /// Shell SLD [1/A^(2)] 2.0e-6 |
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43 | // [DEFAULT]=shell_sld=2.0e-6 [1/A^(2)] |
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44 | Parameter shell_sld; |
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45 | /// Solvent SLD [1/A^(2)] 3.0e-6 |
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46 | // [DEFAULT]=solvent_sld=3.0e-6 [1/A^(2)] |
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47 | Parameter solvent_sld; |
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48 | /// Incoherent Background [1/cm] 0.000 |
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49 | // [DEFAULT]=background=0 [1/cm] |
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50 | Parameter background; |
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51 | |
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52 | /// M0_sld_shell |
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53 | // [DEFAULT]=M0_sld_shell=0.0e-6 [1/A^(2)] |
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54 | Parameter M0_sld_shell; |
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55 | |
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56 | /// M_theta_shell |
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57 | // [DEFAULT]=M_theta_shell=0.0 [deg] |
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58 | Parameter M_theta_shell; |
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59 | |
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60 | /// M_phi_shell |
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61 | // [DEFAULT]=M_phi_shell=0.0 [deg] |
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62 | Parameter M_phi_shell; |
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63 | |
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64 | /// M0_sld_core |
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65 | // [DEFAULT]=M0_sld_core=0.0e-6 [1/A^(2)] |
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66 | Parameter M0_sld_core; |
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67 | |
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68 | /// M_theta_core |
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69 | // [DEFAULT]=M_theta_core=0.0 [deg] |
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70 | Parameter M_theta_core; |
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71 | |
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72 | /// M_phi_core |
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73 | // [DEFAULT]=M_phi_core=0.0 [deg] |
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74 | Parameter M_phi_core; |
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75 | |
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76 | /// M0_sld_solv |
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77 | // [DEFAULT]=M0_sld_solv=0.0e-6 [1/A^(2)] |
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78 | Parameter M0_sld_solv; |
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79 | |
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80 | /// M_theta_solv |
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81 | // [DEFAULT]=M_theta_solv=0.0 [deg] |
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82 | Parameter M_theta_solv; |
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83 | |
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84 | /// M_phi_solv |
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85 | // [DEFAULT]=M_phi_solv=0.0 [deg] |
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86 | Parameter M_phi_solv; |
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87 | |
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88 | /// Up_frac_i |
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89 | // [DEFAULT]=Up_frac_i=0.5 [u/(u+d)] |
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90 | Parameter Up_frac_i; |
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91 | |
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92 | /// Up_frac_f |
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93 | // [DEFAULT]=Up_frac_f=0.5 [u/(u+d)] |
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94 | Parameter Up_frac_f; |
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95 | |
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96 | /// Up_theta |
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97 | // [DEFAULT]=Up_theta=0.0 [deg] |
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98 | Parameter Up_theta; |
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99 | |
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100 | // Constructor |
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101 | CoreShellModel(); |
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102 | |
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103 | // Operators to get I(Q) |
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104 | double operator()(double q); |
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105 | double operator()(double qx, double qy); |
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106 | double calculate_ER(); |
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107 | double calculate_VR(); |
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108 | double evaluate_rphi(double q, double phi); |
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109 | }; |
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110 | |
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111 | |
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112 | #endif |
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