[8c8cb05] | 1 | #if !defined(o_h) |
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| 2 | #define pearl_necklace_h |
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| 3 | |
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| 4 | /** |
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| 5 | * Structure definition for sphere parameters |
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| 6 | */ |
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| 7 | //[PYTHONCLASS] = PearlNecklaceModel |
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| 8 | //[DISP_PARAMS] = radius, edge_separation |
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| 9 | //[DESCRIPTION] =<text>Calculate form factor for Pearl Necklace Model |
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| 10 | // [Macromol. Symp. 2004, 211, 25-42] |
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| 11 | // Parameters: |
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| 12 | // background:background |
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| 13 | // scale: scale factor |
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| 14 | // sld_pearl: the SLD of the pearl spheres |
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| 15 | // sld_string: the SLD of the strings |
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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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[9cc3da6] | 19 | // edge_separation: the length of string segment; surface to surface |
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[8c8cb05] | 20 | // thick_string: thickness (ie, diameter) of the string |
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| 21 | // </text> |
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| 22 | //[FIXED]= <text>radius.width; edge_separation.width</text> |
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| 23 | //[NON_FITTABLE_PARAMS]= <text></text> |
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| 24 | //[ORIENTATION_PARAMS]= <text> </text> |
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| 25 | |
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| 26 | typedef struct { |
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| 27 | /// Scale factor |
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| 28 | // [DEFAULT]=scale= 1.0 |
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| 29 | double scale; |
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| 30 | /// radius [A] |
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| 31 | // [DEFAULT]=radius=80.0 [A] |
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| 32 | double radius; |
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| 33 | /// edge_separation |
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| 34 | // [DEFAULT]=edge_separation= 350 [A] |
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| 35 | double edge_separation; |
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| 36 | /// thick_string [A] |
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| 37 | // [DEFAULT]=thick_string= 2.5 [A] |
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| 38 | double thick_string; |
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| 39 | /// num_pearls |
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| 40 | // [DEFAULT]=num_pearls= 3 |
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| 41 | double num_pearls; |
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| 42 | /// sld_pearl |
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| 43 | // [DEFAULT]=sld_pearl= 1.0e-06 [1/A^(2)] |
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| 44 | double sld_pearl; |
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| 45 | /// sld_string |
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[463eb76e] | 46 | // [DEFAULT]=sld_string= 1.0e-06 [1/A^(2)] |
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[8c8cb05] | 47 | double sld_string; |
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| 48 | /// sld_solv |
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[463eb76e] | 49 | // [DEFAULT]=sld_solv= 6.3e-06 [1/A^(2)] |
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[8c8cb05] | 50 | double sld_solv; |
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| 51 | /// Background |
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| 52 | // [DEFAULT]=background=0 |
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| 53 | double background; |
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| 54 | |
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| 55 | }PeralNecklaceParameters; |
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| 56 | |
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| 57 | double pearl_necklace_kernel(double dq[], double q); |
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| 58 | |
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| 59 | /// 1D scattering function |
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| 60 | double pearl_necklace_analytical_1D(PeralNecklaceParameters *pars, double q); |
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| 61 | |
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| 62 | /// 2D scattering function |
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| 63 | double pearl_necklace_analytical_2D(PeralNecklaceParameters *pars, double q, double phi); |
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| 64 | double pearl_necklace_analytical_2DXY(PeralNecklaceParameters *pars, double qx, double qy); |
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| 65 | |
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| 66 | #endif |
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