[503a972] | 1 | #if !defined(ellipsoid_h) |
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| 2 | #define ellipsoid_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 ellipsoid parameters |
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| 7 | * The ellipsoid has axes radius_b, radius_b, radius_a. |
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| 8 | * Ref: Jan Skov Pedersen, Advances in Colloid and Interface Science, 70 (1997) 171-210 |
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| 9 | */ |
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| 10 | //[PYTHONCLASS] = EllipsoidModel |
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| 11 | //[DISP_PARAMS] = radius_a, radius_b, axis_theta, axis_phi |
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| 12 | //[DESCRIPTION] = <text>"P(q.alpha)= scale*f(q)^(2)+ bkg, where f(q)= 3*(sld_ell |
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| 13 | // - sld_solvent)*V*[sin(q*r(Ra,Rb,alpha)) |
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| 14 | // -q*r*cos(qr(Ra,Rb,alpha))] |
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| 15 | // /[qr(Ra,Rb,alpha)]^(3)" |
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| 16 | // |
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| 17 | // r(Ra,Rb,alpha)= [Rb^(2)*(sin(alpha))^(2) |
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| 18 | // + Ra^(2)*(cos(alpha))^(2)]^(1/2) |
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| 19 | // |
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| 20 | // scatter_sld: SLD of the scatter |
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| 21 | // solvent_sld: SLD of the solvent |
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| 22 | // sldEll: SLD of ellipsoid |
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| 23 | // sldSolv: SLD of solvent |
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| 24 | // V: volune of the Eliipsoid |
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| 25 | // Ra: radius along the rotation axis |
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| 26 | // of the Ellipsoid |
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| 27 | // Rb: radius perpendicular to the |
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| 28 | // rotation axis of the ellipsoid |
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| 29 | // </text> |
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| 30 | //[FIXED]= <text> axis_phi.width; axis_theta.width;radius_a.width; |
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| 31 | //radius_b.width; length.width; r_minor.width; |
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| 32 | //r_ratio.width</text> |
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| 33 | //[ORIENTATION_PARAMS]= axis_phi.width; axis_theta.width;axis_phi; axis_theta |
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| 34 | |
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| 35 | class EllipsoidModel{ |
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| 36 | public: |
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| 37 | // Model parameters |
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| 38 | /// Rotation axis radius_a [A] |
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| 39 | // [DEFAULT]=radius_a=20.0 [A] |
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| 40 | Parameter radius_a; |
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| 41 | |
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| 42 | /// Scale factor |
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| 43 | // [DEFAULT]=scale=1.0 |
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| 44 | Parameter scale; |
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| 45 | |
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| 46 | /// Radius_b [A] |
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| 47 | // [DEFAULT]=radius_b=400 [A] |
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| 48 | Parameter radius_b; |
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| 49 | |
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| 50 | /// sldEll [1/A^(2)] |
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| 51 | // [DEFAULT]=sldEll=4.0e-6 [1/A^(2)] |
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| 52 | Parameter sldEll; |
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| 53 | |
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| 54 | /// sld of solvent [1/A^(2)] |
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| 55 | // [DEFAULT]=sldSolv=1.0e-6 [1/A^(2)] |
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| 56 | Parameter sldSolv; |
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| 57 | |
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| 58 | /// Incoherent Background [1/cm] |
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| 59 | // [DEFAULT]=background=0 [1/cm] |
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| 60 | Parameter background; |
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| 61 | |
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| 62 | /// Orientation of the long axis of the ellipsoid w/respect incoming beam [deg] |
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| 63 | // [DEFAULT]=axis_theta=90.0 [deg] |
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| 64 | Parameter axis_theta; |
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| 65 | /// Orientation of the long axis of the ellipsoid in the plane of the detector [deg] |
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| 66 | // [DEFAULT]=axis_phi=0.0 [deg] |
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| 67 | Parameter axis_phi; |
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| 68 | |
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| 69 | // Constructor |
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| 70 | EllipsoidModel(); |
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| 71 | |
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| 72 | // Operators to get I(Q) |
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| 73 | double operator()(double q); |
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| 74 | double operator()(double qx, double qy); |
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| 75 | double calculate_ER(); |
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[6319646] | 76 | double calculate_VR(); |
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[503a972] | 77 | double evaluate_rphi(double q, double phi); |
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| 78 | }; |
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| 79 | |
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| 80 | |
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| 81 | #endif |
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