[94a3f8f] | 1 | #if !defined(sc_h) |
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| 2 | #define sc_h |
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| 3 | |
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| 4 | /** |
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| 5 | * Structure definition for SC_ParaCrystal parameters |
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| 6 | */ |
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| 7 | //[PYTHONCLASS] = SCCrystalModel |
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| 8 | //[DISP_PARAMS] = radius,phi, psi, theta |
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| 9 | //[DESCRIPTION] =<text>P(q)=(scale/Vp)*V_lattice*P(q)*Z(q)+bkg where scale is the volume |
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| 10 | // fraction of sphere, |
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| 11 | // Vp = volume of the primary particle, |
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| 12 | // V_lattice = volume correction for |
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| 13 | // for the crystal structure, |
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| 14 | // P(q)= form factor of the sphere (normalized), |
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| 15 | // Z(q)= paracrystalline structure factor |
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| 16 | // for a simple cubic structure. |
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[d5b6a9d] | 17 | // [Simple Cubic ParaCrystal Model] |
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[94a3f8f] | 18 | // Parameters; |
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| 19 | // scale: volume fraction of spheres |
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| 20 | // bkg:background, R: radius of sphere |
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| 21 | // dnn: Nearest neighbor distance |
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| 22 | // d_factor: Paracrystal distortion factor |
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| 23 | // radius: radius of the spheres |
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| 24 | // sldSph: SLD of the sphere |
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| 25 | // sldSolv: SLD of the solvent |
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| 26 | // |
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| 27 | // </text> |
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| 28 | //[FIXED]= radius.width;phi.width;psi.width; theta.width |
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| 29 | //[ORIENTATION_PARAMS]= <text> phi;psi; theta; phi.width;psi.width; theta.width</text> |
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| 30 | |
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| 31 | typedef struct { |
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| 32 | /// Scale factor |
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| 33 | // [DEFAULT]=scale= 1.0 |
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| 34 | double scale; |
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| 35 | |
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| 36 | /// Nearest neighbor distance [A] |
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| 37 | // [DEFAULT]=dnn=220.0 [A] |
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| 38 | double dnn; |
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| 39 | |
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| 40 | /// Paracrystal distortion factor g |
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| 41 | // [DEFAULT]=d_factor=0.06 |
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| 42 | double d_factor; |
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| 43 | |
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| 44 | /// Radius of sphere [A] |
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| 45 | // [DEFAULT]=radius=40.0 [A] |
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| 46 | double radius; |
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| 47 | |
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| 48 | /// sldSph [1/A^(2)] |
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| 49 | // [DEFAULT]=sldSph= 3.0e-6 [1/A^(2)] |
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| 50 | double sldSph; |
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| 51 | |
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| 52 | /// sldSolv [1/A^(2)] |
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| 53 | // [DEFAULT]=sldSolv= 6.3e-6 [1/A^(2)] |
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| 54 | double sldSolv; |
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| 55 | |
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| 56 | /// Incoherent Background [1/cm] |
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| 57 | // [DEFAULT]=background=0 [1/cm] |
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| 58 | double background; |
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| 59 | /// Orientation of the a1 axis w/respect incoming beam [rad] |
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| 60 | // [DEFAULT]=theta=0.0 [rad] |
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| 61 | double theta; |
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| 62 | /// Orientation of the a2 in the plane of the detector [rad] |
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| 63 | // [DEFAULT]=phi=0.0 [rad] |
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| 64 | double phi; |
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| 65 | /// Orientation of the a3 in the plane of the detector [rad] |
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| 66 | // [DEFAULT]=psi=0.0 [rad] |
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| 67 | double psi; |
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| 68 | |
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| 69 | } SCParameters; |
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| 70 | |
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| 71 | |
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| 72 | |
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| 73 | /// 1D scattering function |
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| 74 | double sc_analytical_1D(SCParameters *pars, double q); |
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| 75 | |
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| 76 | /// 2D scattering function |
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| 77 | double sc_analytical_2D(SCParameters *pars, double q, double phi); |
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| 78 | double sc_analytical_2DXY(SCParameters *pars, double qx, double qy); |
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| 79 | double sc_analytical_2D_scaled(SCParameters *pars, double q, double q_x, double q_y); |
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| 80 | |
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| 81 | #endif |
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