source: sasview/sansmodels/src/sans/models/c_models/binaryHS.cpp @ 8f5b34a

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Last change on this file since 8f5b34a was 34c2649, checked in by Mathieu Doucet <doucetm@…>, 13 years ago

Re #4 Fixed warnings

  • Property mode set to 100644
File size: 3.2 KB
Line 
1/**
2        This software was developed by the University of Tennessee as part of the
3        Distributed Data Analysis of Neutron Scattering Experiments (DANSE)
4        project funded by the US National Science Foundation.
5
6        If you use DANSE applications to do scientific research that leads to
7        publication, we ask that you acknowledge the use of the software with the
8        following sentence:
9
10        "This work benefited from DANSE software developed under NSF award DMR-0520547."
11
12        copyright 2008, University of Tennessee
13 */
14
15/**
16 * Scattering model classes
17 * The classes use the IGOR library found in
18 *   sansmodels/src/libigor
19 *
20 */
21
22#include <math.h>
23#include "models.hh"
24#include "parameters.hh"
25#include <stdio.h>
26using namespace std;
27
28extern "C" {
29        #include "libSphere.h"
30        #include "binaryHS.h"
31}
32
33BinaryHSModel :: BinaryHSModel() {
34
35        l_radius     = Parameter(160.0, true);
36        l_radius.set_min(0.0);
37        s_radius    = Parameter(25.0, true);
38        s_radius.set_min(0.0);
39        vol_frac_ls  = Parameter(0.2);
40        vol_frac_ss  = Parameter(0.1);
41        ls_sld      = Parameter(3.5e-6);
42        ss_sld     = Parameter(5e-7);
43        solvent_sld   = Parameter(6.36e-6);
44        background = Parameter(0.0);
45}
46
47/**
48 * Function to evaluate 1D scattering function
49 * The NIST IGOR library is used for the actual calculation.
50 * @param q: q-value
51 * @return: function value
52 */
53double BinaryHSModel :: operator()(double q) {
54        double dp[8];
55
56        // Fill parameter array for IGOR library
57        // Add the background after averaging
58        dp[0] = l_radius();
59        dp[1] = s_radius();
60        dp[2] = vol_frac_ls();
61        dp[3] = vol_frac_ss();
62        dp[4] = ls_sld();
63        dp[5] = ss_sld();
64        dp[6] = solvent_sld();
65        dp[7] = 0.0;
66
67
68        // Get the dispersion points for the large radius
69        vector<WeightPoint> weights_l_radius;
70        l_radius.get_weights(weights_l_radius);
71
72        // Get the dispersion points for the small radius
73        vector<WeightPoint> weights_s_radius;
74        s_radius.get_weights(weights_s_radius);
75
76        // Perform the computation, with all weight points
77        double sum = 0.0;
78        double norm = 0.0;
79
80        // Loop over larger radius weight points
81        for(int i=0; i< (int)weights_l_radius.size(); i++) {
82                dp[0] = weights_l_radius[i].value;
83
84                // Loop over small radius weight points
85                for(int j=0; j< (int)weights_s_radius.size(); j++) {
86                        dp[1] = weights_s_radius[j].value;
87
88
89                        sum += weights_l_radius[i].weight *weights_s_radius[j].weight * BinaryHS(dp, q);
90                        norm += weights_l_radius[i].weight *weights_s_radius[j].weight;
91                }
92        }
93        return sum/norm + background();
94}
95
96/**
97 * Function to evaluate 2D scattering function
98 * @param q_x: value of Q along x
99 * @param q_y: value of Q along y
100 * @return: function value
101 */
102double BinaryHSModel :: operator()(double qx, double qy) {
103        double q = sqrt(qx*qx + qy*qy);
104        return (*this).operator()(q);
105}
106
107/**
108 * Function to evaluate 2D scattering function
109 * @param pars: parameters of the vesicle
110 * @param q: q-value
111 * @param phi: angle phi
112 * @return: function value
113 */
114double BinaryHSModel :: evaluate_rphi(double q, double phi) {
115        return (*this).operator()(q);
116}
117
118/**
119 * Function to calculate effective radius
120 * @return: effective radius value
121 */
122double BinaryHSModel :: calculate_ER() {
123        //NOT implemented yet!!!
124        return 0.0;
125}
126
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