ESS_GUIESS_GUI_DocsESS_GUI_batch_fittingESS_GUI_bumps_abstractionESS_GUI_iss1116ESS_GUI_iss879ESS_GUI_iss959ESS_GUI_openclESS_GUI_orderingESS_GUI_sync_sascalccostrafo411magnetic_scattrelease-4.1.1release-4.1.2release-4.2.2release_4.0.1ticket-1009ticket-1094-headlessticket-1242-2d-resolutionticket-1243ticket-1249ticket885unittest-saveload
Last change
on this file since bc202cb 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:
1.4 KB
|
Line | |
---|
1 | #if !defined(TwoYukawa_h) |
---|
2 | #define TwoYukawa_h |
---|
3 | #include "parameters.hh" |
---|
4 | |
---|
5 | /** |
---|
6 | * Structure definition for TwoYukawaModel (factor) parameters |
---|
7 | */ |
---|
8 | //[PYTHONCLASS] = TwoYukawaModel |
---|
9 | //[DESCRIPTION] =<text>Structure factor for interacting particles: . |
---|
10 | // |
---|
11 | // Calculates the structure factor, S(q), for a monodisperse spherical particle interacting |
---|
12 | // through a two-Yukawa potential. The Mean Spherical Approximation is used as the |
---|
13 | // closure to solve the Ornstein-Zernicke equations. |
---|
14 | // |
---|
15 | // The function calculated is S(q), based on the solution of the Ornstein-Zernicke equations |
---|
16 | // using the Two-Yukawa potential (in its scaled form, r=r/diam): |
---|
17 | // |
---|
18 | // Radius is that of the hard core. The returned value is dimensionless. |
---|
19 | // </text> |
---|
20 | |
---|
21 | |
---|
22 | class TwoYukawaModel{ |
---|
23 | public: |
---|
24 | |
---|
25 | // Model parameters |
---|
26 | |
---|
27 | /// Something volfraction |
---|
28 | // [DEFAULT]=volfraction= 0.2 |
---|
29 | Parameter volfraction; |
---|
30 | |
---|
31 | // [DEFAULT]=effect_radius= 50.0 [A] |
---|
32 | Parameter effect_radius; |
---|
33 | |
---|
34 | // [DEFAULT]=scale_K1= 6.0 |
---|
35 | Parameter scale_K1; |
---|
36 | |
---|
37 | // [DEFAULT]=decayConst_Z1= 10.0 |
---|
38 | Parameter decayConst_Z1; |
---|
39 | |
---|
40 | // [DEFAULT]=scale_K2= -1.0 |
---|
41 | Parameter scale_K2; |
---|
42 | |
---|
43 | // [DEFAULT]=decayConst_Z2= 2.0 |
---|
44 | Parameter decayConst_Z2; |
---|
45 | |
---|
46 | // Constructor |
---|
47 | TwoYukawaModel(); |
---|
48 | |
---|
49 | // Operators to get I(Q) |
---|
50 | double operator()(double q); |
---|
51 | double operator()(double qx, double qy); |
---|
52 | double calculate_ER(); |
---|
53 | double calculate_VR(); |
---|
54 | double evaluate_rphi(double q, double phi); |
---|
55 | }; |
---|
56 | |
---|
57 | #endif |
---|
Note: See
TracBrowser
for help on using the repository browser.