[503a972] | 1 | #if !defined(sc_h) |
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| 2 | #define sc_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 SC_ParaCrystal parameters |
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| 7 | */ |
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| 8 | //[PYTHONCLASS] = SCCrystalModel |
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| 9 | //[DISP_PARAMS] = radius,phi, psi, theta |
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| 10 | //[DESCRIPTION] =<text>P(q)=(scale/Vp)*V_lattice*P(q)*Z(q)+bkg where scale is the volume |
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| 11 | // fraction of sphere, |
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| 12 | // Vp = volume of the primary particle, |
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| 13 | // V_lattice = volume correction for |
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| 14 | // for the crystal structure, |
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| 15 | // P(q)= form factor of the sphere (normalized), |
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| 16 | // Z(q)= paracrystalline structure factor |
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| 17 | // for a simple cubic structure. |
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| 18 | // [Simple Cubic ParaCrystal Model] |
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| 19 | // Parameters; |
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| 20 | // scale: volume fraction of spheres |
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| 21 | // bkg:background, R: radius of sphere |
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| 22 | // dnn: Nearest neighbor distance |
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| 23 | // d_factor: Paracrystal distortion factor |
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| 24 | // radius: radius of the spheres |
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| 25 | // sldSph: SLD of the sphere |
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| 26 | // sldSolv: SLD of the solvent |
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| 27 | // |
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| 28 | // </text> |
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| 29 | //[FIXED]= radius.width;phi.width;psi.width; theta.width |
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| 30 | //[ORIENTATION_PARAMS]= <text> phi;psi; theta; phi.width;psi.width; theta.width</text> |
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| 31 | |
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| 32 | |
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| 33 | |
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| 34 | class SCCrystalModel{ |
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| 35 | public: |
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| 36 | // Model parameters |
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| 37 | /// Scale factor |
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| 38 | // [DEFAULT]=scale= 1.0 |
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| 39 | Parameter scale; |
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| 40 | |
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| 41 | /// Nearest neighbor distance [A] |
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| 42 | // [DEFAULT]=dnn=220.0 [A] |
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| 43 | Parameter dnn; |
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| 44 | |
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| 45 | /// Paracrystal distortion factor g |
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| 46 | // [DEFAULT]=d_factor=0.06 |
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| 47 | Parameter d_factor; |
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| 48 | |
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| 49 | /// Radius of sphere [A] |
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| 50 | // [DEFAULT]=radius=40.0 [A] |
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| 51 | Parameter radius; |
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| 52 | |
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| 53 | /// sldSph [1/A^(2)] |
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| 54 | // [DEFAULT]=sldSph= 3.0e-6 [1/A^(2)] |
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| 55 | Parameter sldSph; |
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| 56 | |
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| 57 | /// sldSolv [1/A^(2)] |
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| 58 | // [DEFAULT]=sldSolv= 6.3e-6 [1/A^(2)] |
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| 59 | Parameter sldSolv; |
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| 60 | |
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| 61 | /// Incoherent Background [1/cm] |
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| 62 | // [DEFAULT]=background=0 [1/cm] |
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| 63 | Parameter background; |
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| 64 | /// Orientation of the a1 axis w/respect incoming beam [deg] |
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| 65 | // [DEFAULT]=theta=0.0 [deg] |
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| 66 | Parameter theta; |
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| 67 | /// Orientation of the a2 in the plane of the detector [deg] |
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| 68 | // [DEFAULT]=phi=0.0 [deg] |
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| 69 | Parameter phi; |
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| 70 | /// Orientation of the a3 in the plane of the detector [deg] |
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| 71 | // [DEFAULT]=psi=0.0 [deg] |
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| 72 | Parameter psi; |
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| 73 | |
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| 74 | // Constructor |
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| 75 | SCCrystalModel(); |
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| 76 | |
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| 77 | // Operators to get I(Q) |
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| 78 | double operator()(double q); |
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| 79 | double operator()(double qx, double qy); |
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| 80 | double calculate_ER(); |
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| 81 | double evaluate_rphi(double q, double phi); |
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| 82 | }; |
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| 83 | |
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| 84 | #endif |
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