[0d41aeed] | 1 | #if !defined(micelleSphCore_h) |
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| 2 | #define micelleSphCore_h |
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| 3 | #include "parameters.hh" |
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| 4 | |
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| 5 | /** |
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| 6 | [PYTHONCLASS] = MicelleSphCoreModel |
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| 7 | [DISP_PARAMS] = radius_core, radius_gyr |
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| 8 | [DESCRIPTION] = <text> |
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| 9 | Model parameters: |
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| 10 | ndensity : number density of micelles |
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| 11 | v_core: volume block in core |
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| 12 | v_corona: volume block in corona |
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| 13 | rho_solv: sld of solvent |
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| 14 | rho_core: sld of core |
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| 15 | rho_corona: sld of corona |
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| 16 | radius_core: radius of core |
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| 17 | radius_gyr: radius of gyration of chains in corona |
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| 18 | d_penetration: close to unity, mimics non-penetration of gaussian chains |
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| 19 | n_aggreg: aggregation number of the micelle |
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| 20 | background: incoherent background |
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| 21 | scale : scale factor |
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| 22 | </text> |
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| 23 | [FIXED]= <text> radius_core.width; radius_gyr.width </text> |
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| 24 | [ORIENTATION_PARAMS]= <text> </text> |
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| 25 | **/ |
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| 26 | |
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| 27 | class MicelleSphCoreModel{ |
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| 28 | public: |
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| 29 | |
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| 30 | // Model parameters |
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| 31 | |
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| 32 | /// Scale factor |
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| 33 | // [DEFAULT]=scale= 1.0 |
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| 34 | Parameter scale; |
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| 35 | |
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| 36 | /// Number density of micelles [1/cm^(3)] |
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| 37 | // [DEFAULT]=ndensity= 8.94e15 [1/cm^(3)] |
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| 38 | Parameter ndensity; |
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| 39 | |
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| 40 | /// Core volume [A] |
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| 41 | // [DEFAULT]=v_core= 62624. [A^3] |
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| 42 | Parameter v_core; |
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| 43 | |
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| 44 | /// Corona volume [A^(3)] |
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| 45 | // [DEFAULT]=v_corona= 61940. [A^(3)] |
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| 46 | Parameter v_corona; |
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| 47 | |
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| 48 | /// solvent scattering length density [1/A^(2)] |
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| 49 | // [DEFAULT]=rho_solv= 6.4e-6 [1/A^(2)] |
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| 50 | Parameter rho_solv; |
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| 51 | |
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| 52 | /// core scattering length density [1/A^(2)] |
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| 53 | // [DEFAULT]=rho_core= 3.4e-7 [1/A^(2)] |
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| 54 | Parameter rho_core; |
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| 55 | |
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| 56 | /// corona scattering length density [1/A^(2)] |
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| 57 | // [DEFAULT]=rho_corona= 8.0e-7 [1/A^(2)] |
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| 58 | Parameter rho_corona; |
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| 59 | |
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| 60 | /// core radius [A] |
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| 61 | // [DEFAULT]=radius_core= 45.0 [A] |
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| 62 | Parameter radius_core; |
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| 63 | |
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| 64 | /// radius of gyration of chains in corona[A] |
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| 65 | // [DEFAULT]=radius_gyr= 20.0 [A] |
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| 66 | Parameter radius_gyr; |
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| 67 | |
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| 68 | /// d factor to mimic non-penetration of Gaussian chains, close to unity |
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| 69 | // [DEFAULT]=d_penetration= 1.0 |
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| 70 | Parameter d_penetration; |
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| 71 | |
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| 72 | /// aggregation number of the micelle |
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| 73 | // [DEFAULT]=n_aggreg= 6.0 |
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| 74 | Parameter n_aggreg; |
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| 75 | |
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| 76 | /// Incoherent Background [1/cm] |
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| 77 | // [DEFAULT]=background=0 [1/cm] |
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| 78 | Parameter background; |
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| 79 | |
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| 80 | //Constructor |
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| 81 | MicelleSphCoreModel(); |
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| 82 | |
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| 83 | // Operators to get I(Q) |
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| 84 | double operator()(double q); |
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| 85 | double operator()(double qx, double qy); |
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| 86 | double calculate_ER(); |
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| 87 | double calculate_VR(); |
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| 88 | double evaluate_rphi(double q, double phi); |
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| 89 | }; |
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| 90 | #endif |
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