source: sasview/src/sas/models/include/HayterMSA.h @ d859737

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Last change on this file since d859737 was 79492222, checked in by krzywon, 10 years ago

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

  • Property mode set to 100644
File size: 1.8 KB
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[503a972]1#if !defined(HayterMSA_h)
2#define HayterMSA_h
3#include "parameters.hh"
4
5/**
6 * Structure definition for screened Coulomb interaction
7 */
8//[PYTHONCLASS] = HayterMSAStructure
9//[DISP_PARAMS] = effect_radius
10//[DESCRIPTION] =<text>To calculate the structure factor (the Fourier transform of the
11//                     pair correlation function g(r)) for a system of
12//                     charged, spheroidal objects in a dielectric
13//                                              medium.
14//                     When combined with an appropriate form
15//                     factor, this allows for inclusion of
16//                     the interparticle interference effects
17//                     due to screened coulomb repulsion between
18//                     charged particles.
19//                                              (Note: charge > 0 required.)
20//
21//                     Ref: JP Hansen and JB Hayter, Molecular
22//                           Physics 46, 651-656 (1982).
23//
24//                              </text>
25//[FIXED]= effect_radius.width
26
27class HayterMSAStructure{
28public:
29  // Model parameters
30  /// effetitve radius of particle [A]
31  //  [DEFAULT]=effect_radius=20.75 [A]
32  Parameter effect_radius;
33
34  /// charge
35  //  [DEFAULT]=charge= 19
36  Parameter charge;
37
38  /// Volume fraction
39  //  [DEFAULT]=volfraction= 0.0192
40  Parameter volfraction;
41
42  /// Temperature [K]
43  //  [DEFAULT]=temperature= 318.16 [K]
44  Parameter temperature;
45
46  /// Monovalent salt concentration [M]
47  //  [DEFAULT]=saltconc= 0 [M]
48  Parameter saltconc;
49
50  /// Dielectric constant of solvent
51  //  [DEFAULT]=dielectconst= 71.08
52  Parameter dielectconst;
53
54  // Constructor
55  HayterMSAStructure();
56
57  // Operators to get I(Q)
58  double operator()(double q);
59  double operator()(double qx, double qy);
60  double calculate_ER();
[6319646]61  double calculate_VR();
[503a972]62  double evaluate_rphi(double q, double phi);
63};
64
65#endif
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