1 | #if !defined(o_h) |
---|
2 | #define linearpearls_h |
---|
3 | #include "parameters.hh" |
---|
4 | |
---|
5 | /** |
---|
6 | * Structure definition for the parameters |
---|
7 | */ |
---|
8 | //[PYTHONCLASS] = LinearPearlsModel |
---|
9 | //[DISP_PARAMS] = radius, edge_separation |
---|
10 | //[DESCRIPTION] =<text>Calculate form factor for Pearl Necklace Model |
---|
11 | // [Macromol. 1996, 29, 2974-2979] |
---|
12 | // Parameters: |
---|
13 | // background:background |
---|
14 | // scale: scale factor |
---|
15 | // sld_pearl: the SLD of the pearl spheres |
---|
16 | // sld_solv: the SLD of the solvent |
---|
17 | // num_pearls: number of the pearls |
---|
18 | // radius: the radius of a pearl |
---|
19 | // edge_separation: the length of string segment; surface to surface |
---|
20 | // </text> |
---|
21 | //[FIXED]= <text>radius.width; edge_separation.width</text> |
---|
22 | //[NON_FITTABLE_PARAMS]= <text></text> |
---|
23 | //[ORIENTATION_PARAMS]= <text> </text> |
---|
24 | |
---|
25 | typedef struct { |
---|
26 | /// Scale factor |
---|
27 | // [DEFAULT]=scale= 1.0 |
---|
28 | double scale; |
---|
29 | /// radius [A] |
---|
30 | // [DEFAULT]=radius=80.0 [A] |
---|
31 | double radius; |
---|
32 | /// edge_separation |
---|
33 | // [DEFAULT]=edge_separation= 350 [A] |
---|
34 | double edge_separation; |
---|
35 | /// num_pearls |
---|
36 | // [DEFAULT]=num_pearls= 3 |
---|
37 | double num_pearls; |
---|
38 | /// sld_pearl |
---|
39 | // [DEFAULT]=sld_pearl= 1.0e-06 [1/A^(2)] |
---|
40 | double sld_pearl; |
---|
41 | /// sld_solv |
---|
42 | // [DEFAULT]=sld_solv= 6.3e-06 [1/A^(2)] |
---|
43 | double sld_solv; |
---|
44 | /// Background |
---|
45 | // [DEFAULT]=background=0 |
---|
46 | double background; |
---|
47 | |
---|
48 | }LinearPearlsParameters; |
---|
49 | |
---|
50 | |
---|
51 | |
---|
52 | class LinearPearlsModel{ |
---|
53 | public: |
---|
54 | // Model parameters |
---|
55 | /// Scale factor |
---|
56 | // [DEFAULT]=scale= 1.0 |
---|
57 | Parameter scale; |
---|
58 | /// radius [A] |
---|
59 | // [DEFAULT]=radius=80.0 [A] |
---|
60 | Parameter radius; |
---|
61 | /// edge_separation |
---|
62 | // [DEFAULT]=edge_separation= 350 [A] |
---|
63 | Parameter edge_separation; |
---|
64 | /// num_pearls |
---|
65 | // [DEFAULT]=num_pearls= 3 |
---|
66 | Parameter num_pearls; |
---|
67 | /// sld_pearl |
---|
68 | // [DEFAULT]=sld_pearl= 1.0e-06 [1/A^(2)] |
---|
69 | Parameter sld_pearl; |
---|
70 | /// sld_solv |
---|
71 | // [DEFAULT]=sld_solv= 6.3e-06 [1/A^(2)] |
---|
72 | Parameter sld_solv; |
---|
73 | /// Background |
---|
74 | // [DEFAULT]=background=0 |
---|
75 | Parameter background; |
---|
76 | |
---|
77 | // Constructor |
---|
78 | LinearPearlsModel(); |
---|
79 | |
---|
80 | // Operators to get I(Q) |
---|
81 | double operator()(double q); |
---|
82 | double operator()(double qx, double qy); |
---|
83 | double calculate_ER(); |
---|
84 | double calculate_VR(); |
---|
85 | double evaluate_rphi(double q, double phi); |
---|
86 | }; |
---|
87 | |
---|
88 | #endif |
---|