1 | /** |
---|
2 | * Scattering model for a stacked disk |
---|
3 | * TODO: Add 2D analysis |
---|
4 | */ |
---|
5 | |
---|
6 | #include "stacked_disks.h" |
---|
7 | #include <math.h> |
---|
8 | #include "libCylinder.h" |
---|
9 | #include <stdio.h> |
---|
10 | #include <stdlib.h> |
---|
11 | |
---|
12 | |
---|
13 | /** |
---|
14 | * Function to evaluate 1D scattering function |
---|
15 | * @param pars: parameters of the staked disks |
---|
16 | * @param q: q-value |
---|
17 | * @return: function value |
---|
18 | */ |
---|
19 | double stacked_disks_analytical_1D(StackedDisksParameters *pars, double q) { |
---|
20 | double dp[10]; |
---|
21 | |
---|
22 | // Fill paramater array |
---|
23 | dp[0] = pars->scale; |
---|
24 | dp[1] = pars->radius; |
---|
25 | dp[2] = pars->core_thick; |
---|
26 | dp[3] = pars->layer_thick; |
---|
27 | dp[4] = pars->core_sld; |
---|
28 | dp[5] = pars->layer_sld; |
---|
29 | dp[6] = pars->solvent_sld; |
---|
30 | dp[7] = pars->n_stacking; |
---|
31 | dp[8] = pars->sigma_d; |
---|
32 | dp[9] = pars->background; |
---|
33 | |
---|
34 | // Call library function to evaluate model |
---|
35 | return StackedDiscs(dp, q); |
---|
36 | } |
---|
37 | /** |
---|
38 | * Function to evaluate 2D scattering function |
---|
39 | * @param pars: parameters of the staked disks |
---|
40 | * @param q: q-value |
---|
41 | * @return: function value |
---|
42 | */ |
---|
43 | double stacked_disks_analytical_2DXY(StackedDisksParameters *pars, double qx, double qy) { |
---|
44 | double q; |
---|
45 | q = sqrt(qx*qx+qy*qy); |
---|
46 | return stacked_disks_analytical_2D_scaled(pars, q, qx/q, qy/q); |
---|
47 | } |
---|
48 | |
---|
49 | |
---|
50 | /** |
---|
51 | * Function to evaluate 2D scattering function |
---|
52 | * @param pars: parameters of the staked disks |
---|
53 | * @param q: q-value |
---|
54 | * @param phi: angle phi |
---|
55 | * @return: function value |
---|
56 | */ |
---|
57 | double stacked_disks_analytical_2D(StackedDisksParameters *pars, double q, double phi) { |
---|
58 | return stacked_disks_analytical_2D_scaled(pars, q, cos(phi), sin(phi)); |
---|
59 | } |
---|
60 | |
---|
61 | /** |
---|
62 | * Function to evaluate 2D scattering function |
---|
63 | * @param pars: parameters of the staked disks |
---|
64 | * @param q: q-value |
---|
65 | * @param q_x: q_x / q |
---|
66 | * @param q_y: q_y / q |
---|
67 | * @return: function value |
---|
68 | */ |
---|
69 | double stacked_disks_analytical_2D_scaled(StackedDisksParameters *pars, double q, double q_x, double q_y) { |
---|
70 | double cyl_x, cyl_y, cyl_z; |
---|
71 | double q_z; |
---|
72 | double alpha, vol, cos_val; |
---|
73 | double d, dum, halfheight; |
---|
74 | double answer; |
---|
75 | |
---|
76 | |
---|
77 | |
---|
78 | // parallelepiped orientation |
---|
79 | cyl_x = sin(pars->axis_theta) * cos(pars->axis_phi); |
---|
80 | cyl_y = sin(pars->axis_theta) * sin(pars->axis_phi); |
---|
81 | cyl_z = cos(pars->axis_theta); |
---|
82 | |
---|
83 | // q vector |
---|
84 | q_z = 0; |
---|
85 | |
---|
86 | // Compute the angle btw vector q and the |
---|
87 | // axis of the parallelepiped |
---|
88 | cos_val = cyl_x*q_x + cyl_y*q_y + cyl_z*q_z; |
---|
89 | |
---|
90 | // The following test should always pass |
---|
91 | if (fabs(cos_val)>1.0) { |
---|
92 | printf("parallel_ana_2D: Unexpected error: cos(alpha)>1\n"); |
---|
93 | return 0; |
---|
94 | } |
---|
95 | |
---|
96 | // Note: cos(alpha) = 0 and 1 will get an |
---|
97 | // undefined value from Stackdisc_kern |
---|
98 | alpha = acos( cos_val ); |
---|
99 | |
---|
100 | // Call the IGOR library function to get the kernel |
---|
101 | d = 2 * pars->layer_thick + pars->core_thick; |
---|
102 | halfheight = pars->core_thick/2.0; |
---|
103 | dum =alpha ; |
---|
104 | answer = Stackdisc_kern(q, pars->radius, pars->core_sld,pars->layer_sld, |
---|
105 | pars->solvent_sld, halfheight, pars->layer_thick, dum, pars->sigma_d, d, pars->n_stacking)/sin(alpha); |
---|
106 | |
---|
107 | // Multiply by contrast^2 |
---|
108 | //answer *= pars->contrast*pars->contrast; |
---|
109 | |
---|
110 | //normalize by staked disks volume |
---|
111 | vol = acos(-1.0) * pars->radius * pars->radius * d * pars->n_stacking; |
---|
112 | answer /= vol; |
---|
113 | |
---|
114 | //convert to [cm-1] |
---|
115 | answer *= 1.0e8; |
---|
116 | |
---|
117 | //Scale |
---|
118 | answer *= pars->scale; |
---|
119 | |
---|
120 | // add in the background |
---|
121 | answer += pars->background; |
---|
122 | |
---|
123 | return answer; |
---|
124 | } |
---|
125 | |
---|
126 | |
---|