[08648c0] | 1 | #if !defined(masssurfacefractal_h) |
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| 2 | #define masssurfacefractal_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 sphere parameters |
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| 7 | */ |
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| 8 | //[PYTHONCLASS] = MassSurfaceFractal |
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| 9 | //[DESCRIPTION] =<text> The scattering intensity I(x) = scale*P(x) + background, |
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| 10 | // p(x)= {[1+(x^2*a)]^(Dm/2) * [1+(x^2*b)]^(6-Ds-Dm)/2}^(-1) |
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| 11 | // a = Rg^2/(3*Dm/2) |
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| 12 | // b = rg^2/(3*(6-Ds-Dm)/2) |
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| 13 | // scale = scale factor * N*Volume^2*contrast^2 |
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| 14 | // mass_dim = Dm (mass fractal dimension) |
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| 15 | // surface_dim = Ds |
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| 16 | // cluster_rg = Rg |
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| 17 | // primary_rg = rg |
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| 18 | // background = background |
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| 19 | // Ref: Schmidt, J Appl Cryst, eq(19), (1991), 24, 414-435 |
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| 20 | // : Hurd, Schaefer, Martin, Phys Rev A, eq(2),(1987),35, 2361-2364 |
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| 21 | // Note that 0 < Ds< 6 and 0 < Dm < 6. |
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| 22 | // </text> |
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| 23 | //[ORIENTATION_PARAMS]= <text> </text> |
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| 24 | |
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| 25 | class MassSurfaceFractal{ |
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| 26 | public: |
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| 27 | // Model parameters |
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| 28 | /// Scale factor |
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| 29 | // [DEFAULT]=scale= 1.0 |
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| 30 | Parameter scale; |
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| 31 | |
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| 32 | /// Mass fractal dimension |
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| 33 | // [DEFAULT]=mass_dim=1.8 |
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| 34 | Parameter mass_dim; |
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| 35 | |
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| 36 | /// Surface fractal dimension |
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| 37 | // [DEFAULT]=surface_dim=2.3 |
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| 38 | Parameter surface_dim; |
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| 39 | |
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| 40 | /// cluster_rg [A] |
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| 41 | // [DEFAULT]=cluster_rg=86.7 [A] |
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| 42 | Parameter cluster_rg; |
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| 43 | |
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| 44 | /// primary_rg [A] |
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| 45 | // [DEFAULT]=primary_rg=4000.0 [A] |
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| 46 | Parameter primary_rg; |
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| 47 | |
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| 48 | /// Incoherent Background |
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[6319646] | 49 | // [DEFAULT]=background=0.0 |
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[08648c0] | 50 | Parameter background; |
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| 51 | |
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| 52 | // Constructor |
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| 53 | MassSurfaceFractal(); |
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| 54 | |
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| 55 | // Operators to get I(Q) |
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| 56 | double operator()(double q); |
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| 57 | double operator()(double qx, double qy); |
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| 58 | double calculate_ER(); |
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[6319646] | 59 | double calculate_VR(); |
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[08648c0] | 60 | double evaluate_rphi(double q, double phi); |
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| 61 | }; |
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| 62 | |
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| 63 | #endif |
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