[5068697] | 1 | /** |
---|
| 2 | * Scattering model for a staked disk |
---|
| 3 | * TODO: Add 2D analysis |
---|
| 4 | */ |
---|
| 5 | |
---|
| 6 | #include "stakeddisks.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 flexible_cylinder_analytical_1D(StakedParameters *pars, double q) { |
---|
| 20 | double dp[10]; |
---|
| 21 | |
---|
| 22 | // Fill paramater array |
---|
| 23 | dp[0] = pars->scale; |
---|
| 24 | dp[1] = pars->length; |
---|
| 25 | dp[2] = pars->kuhn_length; |
---|
| 26 | dp[3] = pars->radius; |
---|
| 27 | dp[4] = pars->contrast; |
---|
| 28 | dp[5] = pars->background; |
---|
| 29 | |
---|
| 30 | // Call library function to evaluate model |
---|
| 31 | return FlexExclVolCyl(dp, q); |
---|
| 32 | } |
---|
| 33 | /** |
---|
| 34 | * Function to evaluate 2D scattering function |
---|
| 35 | * @param pars: parameters of the staked disks |
---|
| 36 | * @param q: q-value |
---|
| 37 | * @return: function value |
---|
| 38 | */ |
---|
| 39 | double flexible_cylinder_analytical_2DXY(FlexibleCylinderParameters *pars, double qx, double qy) { |
---|
| 40 | double q; |
---|
| 41 | q = sqrt(qx*qx+qy*qy); |
---|
| 42 | return flexible_cylinder_analytical_2D_scaled(pars, q, qx/q, qy/q); |
---|
| 43 | } |
---|
| 44 | |
---|
| 45 | |
---|
| 46 | /** |
---|
| 47 | * Function to evaluate 2D scattering function |
---|
| 48 | * @param pars: parameters of the staked disks |
---|
| 49 | * @param q: q-value |
---|
| 50 | * @param phi: angle phi |
---|
| 51 | * @return: function value |
---|
| 52 | */ |
---|
| 53 | double flexible_cylinder_analytical_2D(FlexibleCylinderParameters *pars, double q, double phi) { |
---|
| 54 | return flexible_cylinder_analytical_2D_scaled(pars, q, cos(phi), sin(phi)); |
---|
| 55 | } |
---|
| 56 | |
---|
| 57 | /** |
---|
| 58 | * Function to evaluate 2D scattering function |
---|
| 59 | * @param pars: parameters of the staked disks |
---|
| 60 | * @param q: q-value |
---|
| 61 | * @param q_x: q_x / q |
---|
| 62 | * @param q_y: q_y / q |
---|
| 63 | * @return: function value |
---|
| 64 | */ |
---|
| 65 | double flexible_cylinder_analytical_2D_scaled(FlexibleCylinderParameters *pars, double q, double q_x, double q_y) { |
---|
| 66 | double cyl_x, cyl_y, cyl_z; |
---|
| 67 | double q_z; |
---|
| 68 | double alpha, vol, cos_val; |
---|
| 69 | double answer; |
---|
| 70 | |
---|
| 71 | |
---|
| 72 | |
---|
| 73 | // parallelepiped orientation |
---|
| 74 | cyl_x = sin(pars->axis_theta) * cos(pars->axis_phi); |
---|
| 75 | cyl_y = sin(pars->axis_theta) * sin(pars->axis_phi); |
---|
| 76 | cyl_z = cos(pars->axis_theta); |
---|
| 77 | |
---|
| 78 | // q vector |
---|
| 79 | q_z = 0; |
---|
| 80 | |
---|
| 81 | // Compute the angle btw vector q and the |
---|
| 82 | // axis of the parallelepiped |
---|
| 83 | cos_val = cyl_x*q_x + cyl_y*q_y + cyl_z*q_z; |
---|
| 84 | |
---|
| 85 | // The following test should always pass |
---|
| 86 | if (fabs(cos_val)>1.0) { |
---|
| 87 | printf("parallel_ana_2D: Unexpected error: cos(alpha)>1\n"); |
---|
| 88 | return 0; |
---|
| 89 | } |
---|
| 90 | |
---|
| 91 | // Note: cos(alpha) = 0 and 1 will get an |
---|
| 92 | // undefined value from PPKernel |
---|
| 93 | alpha = acos( cos_val ); |
---|
| 94 | |
---|
| 95 | // Call the IGOR library function to get the kernel |
---|
| 96 | answer = CylKernel(q, pars->radius, pars->length/2.0, alpha) / sin(alpha); |
---|
| 97 | |
---|
| 98 | // Multiply by contrast^2 |
---|
| 99 | answer *= pars->contrast*pars->contrast; |
---|
| 100 | |
---|
| 101 | //normalize by staked disks volume |
---|
| 102 | //NOTE that for this (Fournet) definition of the integral, one must MULTIPLY by Vparallel |
---|
| 103 | vol = acos(-1.0) * pars->radius * pars->radius * pars->length; |
---|
| 104 | answer *= vol; |
---|
| 105 | |
---|
| 106 | //convert to [cm-1] |
---|
| 107 | answer *= 1.0e8; |
---|
| 108 | |
---|
| 109 | //Scale |
---|
| 110 | answer *= pars->scale; |
---|
| 111 | |
---|
| 112 | // add in the background |
---|
| 113 | answer += pars->background; |
---|
| 114 | |
---|
| 115 | return answer; |
---|
| 116 | } |
---|
| 117 | |
---|
| 118 | |
---|