[5068697] | 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]; |
---|
[3c102d4] | 21 | |
---|
[5068697] | 22 | // Fill paramater array |
---|
| 23 | dp[0] = pars->scale; |
---|
| 24 | dp[1] = pars->radius; |
---|
[3c102d4] | 25 | dp[2] = pars->core_thick; |
---|
| 26 | dp[3] = pars->layer_thick; |
---|
[5068697] | 27 | dp[4] = pars->core_sld; |
---|
| 28 | dp[5] = pars->layer_sld; |
---|
| 29 | dp[6] = pars->solvent_sld; |
---|
[3c102d4] | 30 | dp[7] = pars->n_stacking; |
---|
| 31 | dp[8] = pars->sigma_d; |
---|
[5068697] | 32 | dp[9] = pars->background; |
---|
| 33 | |
---|
| 34 | // Call library function to evaluate model |
---|
[3c102d4] | 35 | return StackedDiscs(dp, q); |
---|
[5068697] | 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); |
---|
[3c102d4] | 47 | } |
---|
[5068697] | 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)); |
---|
[3c102d4] | 59 | } |
---|
| 60 | |
---|
[5068697] | 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; |
---|
[3c102d4] | 73 | double d, dum, halfheight; |
---|
[5068697] | 74 | double answer; |
---|
[3c102d4] | 75 | |
---|
| 76 | |
---|
[5068697] | 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); |
---|
[3c102d4] | 82 | |
---|
[5068697] | 83 | // q vector |
---|
| 84 | q_z = 0; |
---|
[3c102d4] | 85 | |
---|
[5068697] | 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; |
---|
[3c102d4] | 89 | |
---|
[5068697] | 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 | } |
---|
[3c102d4] | 95 | |
---|
[5068697] | 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 |
---|
[3c102d4] | 101 | d = 2 * pars->layer_thick + pars->core_thick; |
---|
| 102 | halfheight = pars->core_thick/2.0; |
---|
| 103 | dum =alpha ; |
---|
[5068697] | 104 | answer = Stackdisc_kern(q, pars->radius, pars->core_sld,pars->layer_sld, |
---|
[3c102d4] | 105 | pars->solvent_sld, halfheight, pars->layer_thick, dum, pars->sigma_d, d, pars->n_stacking)/sin(alpha); |
---|
| 106 | |
---|
[5068697] | 107 | // Multiply by contrast^2 |
---|
| 108 | //answer *= pars->contrast*pars->contrast; |
---|
[3c102d4] | 109 | |
---|
[5068697] | 110 | //normalize by staked disks volume |
---|
[3c102d4] | 111 | vol = acos(-1.0) * pars->radius * pars->radius * d * pars->n_stacking; |
---|
| 112 | answer /= vol; |
---|
| 113 | |
---|
[5068697] | 114 | //convert to [cm-1] |
---|
| 115 | answer *= 1.0e8; |
---|
[3c102d4] | 116 | |
---|
[5068697] | 117 | //Scale |
---|
| 118 | answer *= pars->scale; |
---|
[3c102d4] | 119 | |
---|
[5068697] | 120 | // add in the background |
---|
| 121 | answer += pars->background; |
---|
[3c102d4] | 122 | |
---|
[5068697] | 123 | return answer; |
---|
| 124 | } |
---|
[3c102d4] | 125 | |
---|
[5068697] | 126 | |
---|