[d9547e7] | 1 | #if !defined(o_h) |
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| 2 | #define linearpearls_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 the parameters |
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| 7 | */ |
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| 8 | //[PYTHONCLASS] = LinearPearlsModel |
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| 9 | //[DISP_PARAMS] = radius, edge_separation |
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| 10 | //[DESCRIPTION] =<text>Calculate form factor for Pearl Necklace Model |
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| 11 | // [Macromol. 1996, 29, 2974-2979] |
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| 12 | // Parameters: |
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| 13 | // background:background |
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| 14 | // scale: scale factor |
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| 15 | // sld_pearl: the SLD of the pearl spheres |
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| 16 | // sld_solv: the SLD of the solvent |
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| 17 | // num_pearls: number of the pearls |
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| 18 | // radius: the radius of a pearl |
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| 19 | // edge_separation: the length of string segment; surface to surface |
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| 20 | // </text> |
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| 21 | //[FIXED]= <text>radius.width; edge_separation.width</text> |
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| 22 | //[NON_FITTABLE_PARAMS]= <text></text> |
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| 23 | //[ORIENTATION_PARAMS]= <text> </text> |
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| 24 | |
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| 25 | typedef struct { |
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| 26 | /// Scale factor |
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| 27 | // [DEFAULT]=scale= 1.0 |
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| 28 | double scale; |
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| 29 | /// radius [A] |
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| 30 | // [DEFAULT]=radius=80.0 [A] |
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| 31 | double radius; |
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| 32 | /// edge_separation |
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| 33 | // [DEFAULT]=edge_separation= 350 [A] |
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| 34 | double edge_separation; |
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| 35 | /// num_pearls |
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| 36 | // [DEFAULT]=num_pearls= 3 |
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| 37 | double num_pearls; |
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| 38 | /// sld_pearl |
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| 39 | // [DEFAULT]=sld_pearl= 1.0e-06 [1/A^(2)] |
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| 40 | double sld_pearl; |
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| 41 | /// sld_solv |
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| 42 | // [DEFAULT]=sld_solv= 6.3e-06 [1/A^(2)] |
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| 43 | double sld_solv; |
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| 44 | /// Background |
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| 45 | // [DEFAULT]=background=0 |
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| 46 | double background; |
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| 47 | |
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| 48 | }LinearPearlsParameters; |
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| 49 | |
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| 50 | |
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| 51 | |
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| 52 | class LinearPearlsModel{ |
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| 53 | public: |
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| 54 | // Model parameters |
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| 55 | /// Scale factor |
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| 56 | // [DEFAULT]=scale= 1.0 |
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| 57 | Parameter scale; |
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| 58 | /// radius [A] |
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| 59 | // [DEFAULT]=radius=80.0 [A] |
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| 60 | Parameter radius; |
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| 61 | /// edge_separation |
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| 62 | // [DEFAULT]=edge_separation= 350 [A] |
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| 63 | Parameter edge_separation; |
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| 64 | /// num_pearls |
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| 65 | // [DEFAULT]=num_pearls= 3 |
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| 66 | Parameter num_pearls; |
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| 67 | /// sld_pearl |
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| 68 | // [DEFAULT]=sld_pearl= 1.0e-06 [1/A^(2)] |
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| 69 | Parameter sld_pearl; |
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| 70 | /// sld_solv |
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| 71 | // [DEFAULT]=sld_solv= 6.3e-06 [1/A^(2)] |
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| 72 | Parameter sld_solv; |
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| 73 | /// Background |
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| 74 | // [DEFAULT]=background=0 |
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| 75 | Parameter background; |
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| 76 | |
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| 77 | // Constructor |
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| 78 | LinearPearlsModel(); |
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| 79 | |
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| 80 | // Operators to get I(Q) |
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| 81 | double operator()(double q); |
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| 82 | double operator()(double qx, double qy); |
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| 83 | double calculate_ER(); |
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[6319646] | 84 | double calculate_VR(); |
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[d9547e7] | 85 | double evaluate_rphi(double q, double phi); |
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| 86 | }; |
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| 87 | |
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| 88 | #endif |
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