source: sasview/src/sas/models/c_extension/c_models/Hardsphere.cpp @ 79492222

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Last change on this file since 79492222 was 79492222, checked in by krzywon, 8 years ago

Changed the file and folder names to remove all SANS references.

  • 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 */
21
22#include <math.h>
23#include "parameters.hh"
24#include <stdio.h>
25using namespace std;
26#include "Hardsphere.h"
27
28extern "C" {
29#include "libStructureFactor.h"
30}
31
32HardsphereStructure :: HardsphereStructure() {
33  effect_radius      = Parameter(50.0, true);
34  effect_radius.set_min(0.0);
35  volfraction = Parameter(0.20, true);
36  volfraction.set_min(0.0);
37}
38
39/**
40 * Function to evaluate 1D scattering function
41 * The NIST IGOR library is used for the actual calculation.
42 * @param q: q-value
43 * @return: function value
44 */
45double HardsphereStructure :: operator()(double q) {
46  double dp[2];
47
48  // Fill parameter array for IGOR library
49  // Add the background after averaging
50  dp[0] = effect_radius();
51  dp[1] = volfraction();
52
53  // Get the dispersion points for the radius
54  vector<WeightPoint> weights_rad;
55  effect_radius.get_weights(weights_rad);
56
57  // Perform the computation, with all weight points
58  double sum = 0.0;
59  double norm = 0.0;
60
61  // Loop over radius weight points
62  for(size_t i=0; i<weights_rad.size(); i++) {
63    dp[0] = weights_rad[i].value;
64
65    sum += weights_rad[i].weight
66        * HardSphereStruct(dp, q);
67    norm += weights_rad[i].weight;
68  }
69  return sum/norm ;
70}
71
72/**
73 * Function to evaluate 2D scattering function
74 * @param q_x: value of Q along x
75 * @param q_y: value of Q along y
76 * @return: function value
77 */
78double HardsphereStructure :: operator()(double qx, double qy) {
79  double q = sqrt(qx*qx + qy*qy);
80  return (*this).operator()(q);
81}
82
83/**
84 * Function to evaluate 2D scattering function
85 * @param pars: parameters of the cylinder
86 * @param q: q-value
87 * @param phi: angle phi
88 * @return: function value
89 */
90double HardsphereStructure :: evaluate_rphi(double q, double phi) {
91  double qx = q*cos(phi);
92  double qy = q*sin(phi);
93  return (*this).operator()(qx, qy);
94}
95/**
96 * Function to calculate effective radius
97 * @return: effective radius value
98 */
99double HardsphereStructure :: calculate_ER() {
100  //NOT implemented yet!!!
101  return 0.0;
102}
103double HardsphereStructure :: calculate_VR() {
104  return 1.0;
105}
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