[503a972] | 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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[318b5bbb] | 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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[503a972] | 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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[318b5bbb] | 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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[503a972] | 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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[6319646] | 107 | double calculate_VR(); |
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[503a972] | 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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