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 b8a8e4e was
b8a8e4e,
checked in by Mathieu Doucet <doucetm@…>, 11 years ago
|
Checkpoint
|
-
Property mode set to
100644
|
File size:
1.2 KB
|
Line | |
---|
1 | #if !defined(Hardsphere_h) |
---|
2 | #define Hardsphere_h |
---|
3 | #include "parameters.hh" |
---|
4 | |
---|
5 | /** |
---|
6 | * Structure definition for HardsphereStructure (factor) parameters |
---|
7 | */ |
---|
8 | //[PYTHONCLASS] = HardsphereStructure |
---|
9 | //[DISP_PARAMS] = effect_radius |
---|
10 | //[DESCRIPTION] =<text>Structure factor for interacting particles: . |
---|
11 | // |
---|
12 | // The interparticle potential is |
---|
13 | // |
---|
14 | // U(r)= inf , r < 2R |
---|
15 | // = 0 , r >= 2R |
---|
16 | // |
---|
17 | // R: effective radius of the Hardsphere particle |
---|
18 | // V:The volume fraction |
---|
19 | // |
---|
20 | // Ref: Percus., J. K.,etc., J. Phy. |
---|
21 | // Rev. 1958, 110, 1. |
---|
22 | // </text> |
---|
23 | //[FIXED]= effect_radius.width |
---|
24 | |
---|
25 | class HardsphereStructure{ |
---|
26 | public: |
---|
27 | // Model parameters |
---|
28 | /// effect radius of hardsphere [A] |
---|
29 | // [DEFAULT]=effect_radius=50.0 [A] |
---|
30 | Parameter effect_radius; |
---|
31 | |
---|
32 | /// Volume fraction |
---|
33 | // [DEFAULT]=volfraction= 0.2 |
---|
34 | Parameter volfraction; |
---|
35 | |
---|
36 | // Constructor |
---|
37 | HardsphereStructure(); |
---|
38 | |
---|
39 | // Operators to get I(Q) |
---|
40 | double operator()(double q); |
---|
41 | double operator()(double qx, double qy); |
---|
42 | double calculate_ER(); |
---|
43 | double calculate_VR(); |
---|
44 | double evaluate_rphi(double q, double phi); |
---|
45 | }; |
---|
46 | |
---|
47 | #endif |
---|
Note: See
TracBrowser
for help on using the repository browser.