[34c3020] | 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 | */ |
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| 22 | |
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| 23 | #include <math.h> |
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| 24 | #include "models.hh" |
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| 25 | #include "parameters.hh" |
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| 26 | #include <stdio.h> |
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| 27 | using namespace std; |
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| 28 | |
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| 29 | extern "C" { |
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| 30 | #include "libCylinder.h" |
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| 31 | #include "lamellarFF_HG.h" |
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| 32 | } |
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| 33 | |
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| 34 | LamellarFFHGModel :: LamellarFFHGModel() { |
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| 35 | scale = Parameter(1.0); |
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| 36 | t_length = Parameter(15.0, true); |
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| 37 | t_length.set_min(0.0); |
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| 38 | h_thickness = Parameter(10.0, true); |
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| 39 | h_thickness.set_min(0.0); |
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| 40 | sld_tail = Parameter(4e-7); |
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| 41 | sld_head = Parameter(3e-6); |
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| 42 | sld_solvent = Parameter(6e-6); |
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| 43 | background = Parameter(0.0); |
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| 44 | |
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| 45 | } |
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| 46 | |
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| 47 | /** |
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| 48 | * Function to evaluate 1D scattering function |
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| 49 | * The NIST IGOR library is used for the actual calculation. |
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| 50 | * @param q: q-value |
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| 51 | * @return: function value |
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| 52 | */ |
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| 53 | double LamellarFFHGModel :: operator()(double q) { |
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| 54 | double dp[7]; |
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| 55 | |
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| 56 | // Fill parameter array for IGOR library |
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| 57 | // Add the background after averaging |
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| 58 | dp[0] = scale(); |
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| 59 | dp[1] = t_length(); |
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| 60 | dp[2] = h_thickness(); |
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| 61 | dp[3] = sld_tail(); |
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| 62 | dp[4] = sld_head(); |
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| 63 | dp[5] = sld_solvent(); |
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[b4679de] | 64 | dp[6] = 0.0; |
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[34c3020] | 65 | |
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| 66 | // Get the dispersion points for the tail length |
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| 67 | vector<WeightPoint> weights_t_length; |
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| 68 | t_length.get_weights(weights_t_length); |
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| 69 | |
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| 70 | // Get the dispersion points for the head thickness |
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| 71 | vector<WeightPoint> weights_h_thickness; |
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| 72 | h_thickness.get_weights(weights_h_thickness); |
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| 73 | |
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| 74 | // Perform the computation, with all weight points |
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| 75 | double sum = 0.0; |
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| 76 | double norm = 0.0; |
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| 77 | |
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| 78 | // Loop over semi axis A weight points |
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| 79 | for(int i=0; i< (int)weights_t_length.size(); i++) { |
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| 80 | dp[1] = weights_t_length[i].value; |
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| 81 | |
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| 82 | for (int j=0; j< (int)weights_h_thickness.size(); j++){ |
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| 83 | dp[2] = weights_h_thickness[j].value; |
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| 84 | |
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| 85 | sum += weights_t_length[i].weight* weights_h_thickness[j].weight*LamellarFF_HG(dp, q); |
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| 86 | norm += weights_t_length[i].weight* weights_h_thickness[j].weight; |
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| 87 | } |
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[b4679de] | 88 | |
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[34c3020] | 89 | } |
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| 90 | return sum/norm + background(); |
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| 91 | } |
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| 92 | |
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| 93 | /** |
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| 94 | * Function to evaluate 2D scattering function |
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| 95 | * @param q_x: value of Q along x |
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| 96 | * @param q_y: value of Q along y |
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| 97 | * @return: function value |
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| 98 | */ |
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| 99 | |
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| 100 | double LamellarFFHGModel :: operator()(double qx, double qy) { |
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[b4679de] | 101 | double q = sqrt(qx*qx + qy*qy); |
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| 102 | return (*this).operator()(q); |
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[34c3020] | 103 | } |
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| 104 | |
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| 105 | /** |
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| 106 | * Function to evaluate 2D scattering function |
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| 107 | * @param pars: parameters of the lamellar |
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| 108 | * @param q: q-value |
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| 109 | * @param phi: angle phi |
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| 110 | * @return: function value |
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| 111 | */ |
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| 112 | double LamellarFFHGModel :: evaluate_rphi(double q, double phi) { |
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[b4679de] | 113 | return (*this).operator()(q); |
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[34c3020] | 114 | } |
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