[975ec8e] | 1 | /** |
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| 2 | * Scattering model for a prolate |
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| 3 | * @author: UTK |
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| 4 | */ |
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| 5 | |
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| 6 | #include "spheroid.h" |
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| 7 | #include <math.h> |
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| 8 | #include "libCylinder.h" |
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| 9 | #include <stdio.h> |
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| 10 | #include <stdlib.h> |
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| 11 | |
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| 12 | /** |
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| 13 | * Function to evaluate 1D scattering function |
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| 14 | * @param pars: parameters of the prolate |
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| 15 | * @param q: q-value |
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| 16 | * @return: function value |
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| 17 | */ |
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| 18 | double spheroid_analytical_1D(SpheroidParameters *pars, double q) { |
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[f10063e] | 19 | double dp[9]; |
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[975ec8e] | 20 | |
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| 21 | // Fill paramater array |
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| 22 | dp[0] = pars->scale; |
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| 23 | dp[1] = pars->equat_core; |
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| 24 | dp[2] = pars->polar_core; |
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| 25 | dp[3] = pars->equat_shell; |
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| 26 | dp[4] = pars->polar_shell; |
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[f10063e] | 27 | dp[5] = pars->sld_core; |
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| 28 | dp[6] = pars->sld_shell; |
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| 29 | dp[7] = pars->sld_solvent; |
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| 30 | dp[8] = pars->background; |
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[975ec8e] | 31 | |
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| 32 | // Call library function to evaluate model |
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[f10063e] | 33 | return OblateForm(dp, q); |
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[975ec8e] | 34 | } |
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| 35 | |
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| 36 | /** |
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| 37 | * Function to evaluate 2D scattering function |
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| 38 | * @param pars: parameters of the prolate |
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| 39 | * @param q: q-value |
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| 40 | * @return: function value |
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| 41 | */ |
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| 42 | double spheroid_analytical_2DXY(SpheroidParameters *pars, double qx, double qy) { |
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| 43 | double q; |
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| 44 | q = sqrt(qx*qx+qy*qy); |
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| 45 | return spheroid_analytical_2D_scaled(pars, q, qx/q, qy/q); |
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| 46 | } |
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| 47 | |
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| 48 | |
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| 49 | /** |
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| 50 | * Function to evaluate 2D scattering function |
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| 51 | * @param pars: parameters of the prolate |
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| 52 | * @param q: q-value |
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| 53 | * @param phi: angle phi |
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| 54 | * @return: function value |
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| 55 | */ |
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| 56 | double spheroid_analytical_2D(SpheroidParameters *pars, double q, double phi) { |
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| 57 | return spheroid_analytical_2D_scaled(pars, q, cos(phi), sin(phi)); |
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| 58 | } |
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| 59 | |
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| 60 | /** |
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| 61 | * Function to evaluate 2D scattering function |
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| 62 | * @param pars: parameters of the prolate |
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| 63 | * @param q: q-value |
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| 64 | * @param q_x: q_x / q |
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| 65 | * @param q_y: q_y / q |
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| 66 | * @return: function value |
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| 67 | */ |
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| 68 | double spheroid_analytical_2D_scaled(SpheroidParameters *pars, double q, double q_x, double q_y) { |
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| 69 | |
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| 70 | double cyl_x, cyl_y, cyl_z; |
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| 71 | double q_z; |
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| 72 | double alpha, vol, cos_val; |
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| 73 | double answer; |
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| 74 | double Pi = 4.0*atan(1.0); |
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[f10063e] | 75 | double sldcs,sldss; |
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[975ec8e] | 76 | |
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[4628e31] | 77 | //convert angle degree to radian |
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| 78 | double theta = pars->axis_theta * Pi/180.0; |
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| 79 | double phi = pars->axis_phi * Pi/180.0; |
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| 80 | |
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| 81 | |
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[975ec8e] | 82 | // ellipsoid orientation, the axis of the rotation is consistent with the ploar axis. |
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[4628e31] | 83 | cyl_x = sin(theta) * cos(phi); |
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| 84 | cyl_y = sin(theta) * sin(phi); |
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| 85 | cyl_z = cos(theta); |
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[f10063e] | 86 | //del sld |
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| 87 | sldcs = pars->sld_core - pars->sld_shell; |
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| 88 | sldss = pars->sld_shell- pars->sld_solvent; |
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[975ec8e] | 89 | |
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| 90 | // q vector |
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| 91 | q_z = 0; |
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| 92 | |
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| 93 | // Compute the angle btw vector q and the |
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| 94 | // axis of the cylinder |
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| 95 | cos_val = cyl_x*q_x + cyl_y*q_y + cyl_z*q_z; |
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| 96 | |
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| 97 | // The following test should always pass |
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| 98 | if (fabs(cos_val)>1.0) { |
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| 99 | printf("cyl_ana_2D: Unexpected error: cos(alpha)>1\n"); |
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| 100 | return 0; |
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| 101 | } |
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| 102 | |
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| 103 | // Note: cos(alpha) = 0 and 1 will get an |
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| 104 | // undefined value from CylKernel |
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| 105 | alpha = acos( cos_val ); |
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| 106 | |
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[f10063e] | 107 | // Call the IGOR library function to get the kernel: MUST use gfn4 not gf2 because of the def of params. |
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| 108 | answer = gfn4(cos_val,pars->equat_core,pars->polar_core,pars->equat_shell,pars->polar_shell,sldcs,sldss,q); |
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| 109 | //It seems that it should be normalized somehow. How??? |
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[975ec8e] | 110 | |
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| 111 | //normalize by cylinder volume |
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| 112 | //NOTE that for this (Fournet) definition of the integral, one must MULTIPLY by Vcyl |
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[f10063e] | 113 | vol = 4.0*Pi/3.0*pars->equat_shell*pars->equat_shell*pars->polar_shell; |
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[975ec8e] | 114 | answer /= vol; |
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| 115 | |
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| 116 | //convert to [cm-1] |
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| 117 | answer *= 1.0e8; |
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| 118 | |
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| 119 | //Scale |
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| 120 | answer *= pars->scale; |
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| 121 | |
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| 122 | // add in the background |
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| 123 | answer += pars->background; |
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| 124 | |
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| 125 | return answer; |
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| 126 | } |
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| 127 | |
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| 128 | |
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