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 1b28ff5 was
6319646,
checked in by Jae Cho <jhjcho@…>, 13 years ago
|
new includes for scale fix for P*S
|
-
Property mode set to
100644
|
File size:
1.2 KB
|
Rev | Line | |
---|
[503a972] | 1 | #if !defined(polygausscoil_h) |
---|
| 2 | #define polygausscoil_h |
---|
| 3 | #include "parameters.hh" |
---|
| 4 | |
---|
| 5 | /** |
---|
| 6 | * Structure definition for sphere parameters |
---|
| 7 | */ |
---|
| 8 | //[PYTHONCLASS] = Poly_GaussCoil |
---|
| 9 | //[DISP_PARAMS] = rg |
---|
| 10 | //[DESCRIPTION] =<text>I(q)=(scale)*2*[(1+U*x)^(-1/U)+x-1]/[(1+U)*x^2] + background |
---|
| 11 | // where x = [rg^2*q^2] |
---|
| 12 | // and the polydispersity is |
---|
| 13 | // U = [M_w/M_n]-1. |
---|
| 14 | // scale = scale factor * volume fraction |
---|
| 15 | // rg = radius of gyration |
---|
| 16 | // poly_m = polydispersity of molecular weight |
---|
| 17 | // background = incoherent background |
---|
| 18 | // </text> |
---|
| 19 | //[FIXED]= |
---|
| 20 | //[ORIENTATION_PARAMS]= <text> </text> |
---|
| 21 | |
---|
| 22 | class Poly_GaussCoil{ |
---|
| 23 | public: |
---|
| 24 | // Model parameters |
---|
| 25 | /// Radius of gyration [A] |
---|
| 26 | // [DEFAULT]=rg=60.0 [A] |
---|
| 27 | Parameter rg; |
---|
| 28 | |
---|
| 29 | /// Scale factor |
---|
| 30 | // [DEFAULT]=scale= 1.0 |
---|
| 31 | Parameter scale; |
---|
| 32 | |
---|
| 33 | /// polydispersity of molecular weight |
---|
| 34 | // [DEFAULT]=poly_m= 2.0 [Mw/Mn] |
---|
| 35 | Parameter poly_m; |
---|
| 36 | |
---|
| 37 | /// Incoherent Background [1/cm] |
---|
| 38 | // [DEFAULT]=background=0.001 [1/cm] |
---|
| 39 | Parameter background; |
---|
| 40 | |
---|
| 41 | // Constructor |
---|
| 42 | Poly_GaussCoil(); |
---|
| 43 | |
---|
| 44 | // Operators to get I(Q) |
---|
| 45 | double operator()(double q); |
---|
| 46 | double operator()(double qx, double qy); |
---|
| 47 | double calculate_ER(); |
---|
[6319646] | 48 | double calculate_VR(); |
---|
[503a972] | 49 | double evaluate_rphi(double q, double phi); |
---|
| 50 | }; |
---|
| 51 | |
---|
| 52 | #endif |
---|
Note: See
TracBrowser
for help on using the repository browser.