[08648c0] | 1 | /** |
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| 2 | This software was developed by the University of Tennessee as part of the |
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| 3 | Distributed Data Analysis of Neutron Scattering Experiments (DANSE) |
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| 4 | project funded by the US National Science Foundation. |
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| 5 | |
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| 6 | If you use DANSE applications to do scientific research that leads to |
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| 7 | publication, we ask that you acknowledge the use of the software with the |
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| 8 | following sentence: |
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| 9 | |
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| 10 | "This work benefited from DANSE software developed under NSF award DMR-0520547." |
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| 11 | |
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| 12 | copyright 2008, University of Tennessee |
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| 13 | */ |
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| 14 | |
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| 15 | /** |
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| 16 | * Scattering model classes |
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| 17 | * The classes use the IGOR library found in |
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| 18 | * sansmodels/src/libigor |
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| 19 | * |
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| 20 | */ |
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| 21 | |
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| 22 | #include <math.h> |
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| 23 | #include "parameters.hh" |
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| 24 | #include <stdio.h> |
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| 25 | using namespace std; |
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| 26 | #include "surfacefractal.h" |
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| 27 | extern "C" { |
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| 28 | #include "libmultifunc/libfunc.h" |
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| 29 | } |
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| 30 | |
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| 31 | static double surface_fractal_kernel(double dp[], double q) { |
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| 32 | //fit parameters |
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| 33 | double scale = dp[0]; |
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| 34 | double radius = dp[1]; |
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| 35 | double surface_dim = dp[2]; |
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| 36 | double co_length = dp[3]; |
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| 37 | double background = dp[4]; |
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| 38 | //others |
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| 39 | double pq = 0.0; |
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| 40 | double sq = 0.0; |
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| 41 | double mmo = 0.0; |
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| 42 | //result |
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| 43 | double result = 0.0; |
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| 44 | if( (q*radius) == 0.0){ |
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| 45 | pq = 1.0; |
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| 46 | } |
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| 47 | else{ |
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| 48 | //calculate P(q) for the spherical subunits; not normalized |
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| 49 | pq = pow((3.0*(sin(q*radius) - q*radius*cos(q*radius))/pow((q*radius),3)),2); |
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| 50 | } |
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| 51 | mmo = 5.0 - surface_dim; |
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| 52 | |
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| 53 | //calculate S(q) |
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| 54 | sq = exp(gamln(mmo))*sin(-(mmo)*atan(q*co_length)); |
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| 55 | sq *= pow(co_length, mmo); |
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| 56 | sq /= pow((1.0 + (q*co_length)*(q*co_length)),(mmo/2.0)); |
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| 57 | sq /= q; |
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| 58 | //combine and return |
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| 59 | result = pq * sq; |
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| 60 | result *= scale; |
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| 61 | result += background; |
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| 62 | |
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| 63 | return(result); |
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| 64 | } |
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| 65 | |
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| 66 | SurfaceFractalModel :: SurfaceFractalModel() { |
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| 67 | scale = Parameter(1.0); |
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| 68 | radius = Parameter(10.0); |
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| 69 | surface_dim = Parameter(2.0); |
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| 70 | co_length = Parameter(500.0); |
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| 71 | background = Parameter(0.0); |
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| 72 | } |
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| 73 | |
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| 74 | /** |
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| 75 | * Function to evaluate 1D scattering function |
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| 76 | * @param q: q-value |
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| 77 | * @return: function value |
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| 78 | */ |
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| 79 | double SurfaceFractalModel :: operator()(double q) { |
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| 80 | double dp[5]; |
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| 81 | |
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| 82 | // Add the background after averaging |
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| 83 | dp[0] = scale(); |
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| 84 | dp[1] = radius(); |
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| 85 | dp[2] = surface_dim(); |
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| 86 | dp[3] = co_length(); |
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| 87 | dp[4] = 0.0; |
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| 88 | |
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| 89 | // Perform the computation |
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| 90 | double sum = 0.0; |
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| 91 | |
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| 92 | sum = surface_fractal_kernel(dp, fabs(q)); |
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| 93 | return sum + background(); |
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| 94 | } |
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| 95 | |
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| 96 | /** |
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| 97 | * Function to evaluate 2D scattering function |
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| 98 | * @param q_x: value of Q along x |
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| 99 | * @param q_y: value of Q along y |
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| 100 | * @return: function value |
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| 101 | */ |
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| 102 | double SurfaceFractalModel :: operator()(double qx, double qy) { |
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| 103 | double q = sqrt(qx*qx + qy*qy); |
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| 104 | return (*this).operator()(q); |
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| 105 | } |
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| 106 | |
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| 107 | /** |
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| 108 | * Function to evaluate 2D scattering function |
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| 109 | * @param pars: parameters of the SurfaceFractalModel |
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| 110 | * @param q: q-value |
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| 111 | * @param phi: angle phi |
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| 112 | * @return: function value |
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| 113 | */ |
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| 114 | double SurfaceFractalModel :: evaluate_rphi(double q, double phi) { |
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| 115 | return (*this).operator()(q); |
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| 116 | } |
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| 117 | |
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| 118 | /** |
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| 119 | * Function to calculate effective radius |
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| 120 | * @return: effective radius value |
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| 121 | */ |
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| 122 | double SurfaceFractalModel :: calculate_ER() { |
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| 123 | //NOT implemented yet!!! 'cause None shape Model |
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| 124 | return 0.0; |
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| 125 | } |
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[e08bd5b] | 126 | double SurfaceFractalModel :: calculate_VR() { |
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| 127 | return 1.0; |
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| 128 | } |
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