[543d1bd] | 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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[6319646] | 97 | double calculate_VR(); |
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[543d1bd] | 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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