source: sasview/sansmodels/src/c_models/Hardsphere.cpp @ 98fdccd

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Last change on this file since 98fdccd was 0ba3b08, checked in by Mathieu Doucet <doucetm@…>, 13 years ago

refactored bunch of models

  • Property mode set to 100644
File size: 2.7 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 *      TODO: refactor so that we pull in the old sansmodels.c_extensions
21 */
22
23#include <math.h>
24#include "parameters.hh"
25#include <stdio.h>
26using namespace std;
27#include "Hardsphere.h"
28
29extern "C" {
30#include "libStructureFactor.h"
31}
32
33HardsphereStructure :: HardsphereStructure() {
34  effect_radius      = Parameter(50.0, true);
35  effect_radius.set_min(0.0);
36  volfraction = Parameter(0.20, true);
37  volfraction.set_min(0.0);
38}
39
40/**
41 * Function to evaluate 1D scattering function
42 * The NIST IGOR library is used for the actual calculation.
43 * @param q: q-value
44 * @return: function value
45 */
46double HardsphereStructure :: operator()(double q) {
47  double dp[2];
48
49  // Fill parameter array for IGOR library
50  // Add the background after averaging
51  dp[0] = effect_radius();
52  dp[1] = volfraction();
53
54  // Get the dispersion points for the radius
55  vector<WeightPoint> weights_rad;
56  effect_radius.get_weights(weights_rad);
57
58  // Perform the computation, with all weight points
59  double sum = 0.0;
60  double norm = 0.0;
61
62  // Loop over radius weight points
63  for(size_t i=0; i<weights_rad.size(); i++) {
64    dp[0] = weights_rad[i].value;
65
66    sum += weights_rad[i].weight
67        * HardSphereStruct(dp, q);
68    norm += weights_rad[i].weight;
69  }
70  return sum/norm ;
71}
72
73/**
74 * Function to evaluate 2D scattering function
75 * @param q_x: value of Q along x
76 * @param q_y: value of Q along y
77 * @return: function value
78 */
79double HardsphereStructure :: operator()(double qx, double qy) {
80  double q = sqrt(qx*qx + qy*qy);
81  return (*this).operator()(q);
82}
83
84/**
85 * Function to evaluate 2D scattering function
86 * @param pars: parameters of the cylinder
87 * @param q: q-value
88 * @param phi: angle phi
89 * @return: function value
90 */
91double HardsphereStructure :: evaluate_rphi(double q, double phi) {
92  double qx = q*cos(phi);
93  double qy = q*sin(phi);
94  return (*this).operator()(qx, qy);
95}
96/**
97 * Function to calculate effective radius
98 * @return: effective radius value
99 */
100double HardsphereStructure :: calculate_ER() {
101  //NOT implemented yet!!!
102  return 0.0;
103}
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