[27a0771] | 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 | * TODO: refactor so that we pull in the old sansmodels.c_extensions |
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| 21 | * TODO: add 2D function |
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| 22 | */ |
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| 23 | |
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| 24 | #include <math.h> |
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| 25 | #include "models.hh" |
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| 26 | #include "parameters.hh" |
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| 27 | #include <stdio.h> |
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| 28 | using namespace std; |
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| 29 | |
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| 30 | extern "C" { |
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| 31 | #include "libCylinder.h" |
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| 32 | #include "lamellarPS.h" |
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| 33 | } |
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| 34 | |
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| 35 | LamellarPSModel :: LamellarPSModel() { |
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| 36 | scale = Parameter(1.0); |
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| 37 | spacing = Parameter(400.0); |
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| 38 | delta = Parameter(30.0, true); |
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| 39 | delta.set_min(0.0); |
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| 40 | sigma = Parameter(0.15, true); |
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| 41 | contrast = Parameter(5.3e-6); |
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| 42 | n_plates = Parameter(20.0); |
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| 43 | caille = Parameter(0.1); |
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| 44 | background = Parameter(0.0); |
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| 45 | |
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| 46 | } |
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| 47 | |
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| 48 | /** |
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| 49 | * Function to evaluate 1D scattering function |
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| 50 | * The NIST IGOR library is used for the actual calculation. |
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| 51 | * @param q: q-value |
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| 52 | * @return: function value |
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| 53 | */ |
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| 54 | double LamellarPSModel :: operator()(double q) { |
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| 55 | double dp[8]; |
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| 56 | |
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| 57 | // Fill parameter array for IGOR library |
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| 58 | // Add the background after averaging |
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| 59 | dp[0] = scale(); |
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| 60 | dp[1] = spacing(); |
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| 61 | dp[2] = delta(); |
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| 62 | dp[3] = sigma(); |
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| 63 | dp[4] = contrast(); |
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| 64 | dp[5] = n_plates(); |
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| 65 | dp[6] = caille(); |
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| 66 | dp[7] = background(); |
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| 67 | |
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| 68 | |
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| 69 | // Get the dispersion points for (delta) thickness |
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| 70 | vector<WeightPoint> weights_delta; |
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| 71 | delta.get_weights(weights_delta); |
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| 72 | |
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| 73 | // Perform the computation, with all weight points |
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| 74 | double sum = 0.0; |
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| 75 | double norm = 0.0; |
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| 76 | |
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| 77 | // Loop over short_edgeA weight points |
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| 78 | for(int i=0; i< (int)weights_delta.size(); i++) { |
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| 79 | dp[2] = weights_delta[i].value; |
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| 80 | |
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| 81 | sum += weights_delta[i].weight * LamellarPS(dp, q); |
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| 82 | norm += weights_delta[i].weight; |
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| 83 | |
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| 84 | } |
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| 85 | return sum/norm + background(); |
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| 86 | } |
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| 87 | /** |
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| 88 | * Function to evaluate 2D scattering function |
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| 89 | * @param q_x: value of Q along x |
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| 90 | * @param q_y: value of Q along y |
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| 91 | * @return: function value |
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| 92 | */ |
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| 93 | double LamellarPSModel :: operator()(double qx, double qy) { |
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| 94 | LamellarPSParameters dp; |
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| 95 | // Fill parameter array |
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| 96 | dp.scale = scale(); |
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| 97 | dp.spacing = spacing(); |
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| 98 | dp.delta = delta(); |
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| 99 | dp.sigma = sigma(); |
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| 100 | dp.contrast = contrast(); |
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| 101 | dp.n_plates = n_plates(); |
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| 102 | dp.caille = caille(); |
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| 103 | dp.background = background(); |
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| 104 | |
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| 105 | |
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| 106 | // Get the dispersion points for the delta |
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| 107 | vector<WeightPoint> weights_delta; |
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| 108 | delta.get_weights(weights_delta); |
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| 109 | |
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| 110 | // Perform the computation, with all weight points |
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| 111 | double sum = 0.0; |
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| 112 | double norm = 0.0; |
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| 113 | |
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| 114 | // Loop over radius weight points |
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| 115 | for(int i=0; i< (int)weights_delta.size(); i++) { |
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| 116 | dp.delta = weights_delta[i].value; |
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| 117 | |
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| 118 | sum += weights_delta[i].weight *lamellarPS_analytical_2DXY(&dp, qx, qy); |
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| 119 | norm += weights_delta[i].weight; |
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| 120 | } |
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| 121 | |
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| 122 | return sum/norm + background(); |
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| 123 | } |
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| 124 | |
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| 125 | |
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| 126 | /** |
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| 127 | * Function to evaluate 2D scattering function |
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| 128 | * @param pars: parameters of the cylinder |
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| 129 | * @param q: q-value |
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| 130 | * @param phi: angle phi |
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| 131 | * @return: function value |
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| 132 | */ |
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| 133 | double LamellarPSModel :: evaluate_rphi(double q, double phi) { |
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| 134 | double qx = q*cos(phi); |
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| 135 | double qy = q*sin(phi); |
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| 136 | return (*this).operator()(qx, qy); |
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| 137 | } |
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