[ae3ce4e] | 1 | /** |
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| 2 | * Scattering model for a cylinder with elliptical cross-section |
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| 3 | */ |
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| 4 | |
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| 5 | #include "elliptical_cylinder.h" |
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| 6 | #include <math.h> |
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| 7 | #include "libCylinder.h" |
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| 8 | #include <stdio.h> |
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| 9 | #include <stdlib.h> |
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| 10 | |
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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 cylinder |
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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 elliptical_cylinder_analytical_1D(EllipticalCylinderParameters *pars, double q) { |
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| 19 | double dp[6]; |
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[3fe701a] | 20 | |
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[ae3ce4e] | 21 | // Fill paramater array |
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| 22 | dp[0] = pars->scale; |
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| 23 | dp[1] = pars->r_minor; |
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| 24 | dp[2] = pars->r_ratio; |
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| 25 | dp[3] = pars->length; |
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| 26 | dp[4] = pars->contrast; |
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| 27 | dp[5] = pars->background; |
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[3fe701a] | 28 | |
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[ae3ce4e] | 29 | // Call library function to evaluate model |
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[3fe701a] | 30 | return EllipCyl20(dp, q); |
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[ae3ce4e] | 31 | } |
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| 32 | |
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[3fe701a] | 33 | double elliptical_cylinder_kernel(EllipticalCylinderParameters *pars, double q, double alpha, double psi, double nu) { |
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[ae3ce4e] | 34 | double qr; |
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| 35 | double qL; |
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| 36 | double r_major; |
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| 37 | double kernel; |
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[3fe701a] | 38 | |
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[ae3ce4e] | 39 | r_major = pars->r_ratio * pars->r_minor; |
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| 40 | |
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[3fe701a] | 41 | qr = q*sin(alpha)*sqrt( r_major*r_major*sin(nu)*sin(nu) + pars->r_minor*pars->r_minor*cos(nu)*cos(nu) ); |
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[ae3ce4e] | 42 | qL = q*pars->length*cos(alpha)/2.0; |
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[3fe701a] | 43 | |
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[ae3ce4e] | 44 | kernel = 2.0*NR_BessJ1(qr)/qr * sin(qL)/qL; |
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| 45 | return kernel*kernel; |
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| 46 | } |
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| 47 | |
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| 48 | /** |
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| 49 | * Function to evaluate 2D scattering function |
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| 50 | * @param pars: parameters of the cylinder |
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| 51 | * @param q: q-value |
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| 52 | * @return: function value |
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| 53 | */ |
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| 54 | double elliptical_cylinder_analytical_2DXY(EllipticalCylinderParameters *pars, double qx, double qy) { |
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| 55 | double q; |
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| 56 | q = sqrt(qx*qx+qy*qy); |
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| 57 | return elliptical_cylinder_analytical_2D_scaled(pars, q, qx/q, qy/q); |
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[3fe701a] | 58 | } |
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[ae3ce4e] | 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 cylinder |
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| 63 | * @param q: q-value |
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[3fe701a] | 64 | * @param theta: angle theta = angle wrt z axis |
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| 65 | * @param phi: angle phi = angle around y axis (starting from the x+-direction as phi = 0) |
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[ae3ce4e] | 66 | * @return: function value |
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| 67 | */ |
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| 68 | double elliptical_cylinder_analytical_2D(EllipticalCylinderParameters *pars, double q, double phi) { |
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| 69 | return elliptical_cylinder_analytical_2D_scaled(pars, q, cos(phi), sin(phi)); |
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[3fe701a] | 70 | } |
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[ae3ce4e] | 71 | |
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| 72 | /** |
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| 73 | * Function to evaluate 2D scattering function |
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| 74 | * @param pars: parameters of the cylinder |
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| 75 | * @param q: q-value |
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| 76 | * @param q_x: q_x / q |
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| 77 | * @param q_y: q_y / q |
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| 78 | * @return: function value |
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| 79 | */ |
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| 80 | double elliptical_cylinder_analytical_2D_scaled(EllipticalCylinderParameters *pars, double q, double q_x, double q_y) { |
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| 81 | double cyl_x, cyl_y, cyl_z; |
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[3fe701a] | 82 | double ell_x, ell_y; |
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[ae3ce4e] | 83 | double q_z; |
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| 84 | double alpha, vol, cos_val; |
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[3fe701a] | 85 | double nu, cos_nu; |
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[ae3ce4e] | 86 | double answer; |
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[3fe701a] | 87 | |
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| 88 | //Cylinder orientation |
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[ae3ce4e] | 89 | cyl_x = sin(pars->cyl_theta) * cos(pars->cyl_phi); |
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| 90 | cyl_y = sin(pars->cyl_theta) * sin(pars->cyl_phi); |
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| 91 | cyl_z = cos(pars->cyl_theta); |
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[3fe701a] | 92 | |
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[ae3ce4e] | 93 | // q vector |
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| 94 | q_z = 0; |
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[3fe701a] | 95 | |
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[ae3ce4e] | 96 | // Compute the angle btw vector q and the |
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| 97 | // axis of the cylinder |
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| 98 | cos_val = cyl_x*q_x + cyl_y*q_y + cyl_z*q_z; |
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[3fe701a] | 99 | |
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[ae3ce4e] | 100 | // The following test should always pass |
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| 101 | if (fabs(cos_val)>1.0) { |
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| 102 | printf("cyl_ana_2D: Unexpected error: cos(alpha)>1\n"); |
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| 103 | return 0; |
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| 104 | } |
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[3fe701a] | 105 | |
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[ae3ce4e] | 106 | // Note: cos(alpha) = 0 and 1 will get an |
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| 107 | // undefined value from CylKernel |
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| 108 | alpha = acos( cos_val ); |
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[3fe701a] | 109 | |
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| 110 | //ellipse orientation: |
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| 111 | // the elliptical corss section was transformed and projected |
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| 112 | // into the detector plane already through sin(alpha)and furthermore psi remains as same |
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| 113 | // on the detector plane. |
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| 114 | // So, all we need is to calculate the angle (nu) of the minor axis of the ellipse wrt |
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| 115 | // the wave vector q. |
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| 116 | |
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| 117 | //x- y- component on the detector plane. |
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| 118 | ell_x = cos(pars->cyl_psi); |
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| 119 | ell_y = sin(pars->cyl_psi); |
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| 120 | |
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| 121 | // calculate the axis of the ellipse wrt q-coord. |
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| 122 | cos_nu = ell_x*q_x + ell_y*q_y; |
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| 123 | nu = acos(cos_nu); |
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| 124 | |
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| 125 | // The following test should always pass |
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| 126 | if (fabs(cos_nu)>1.0) { |
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| 127 | printf("cyl_ana_2D: Unexpected error: cos(nu)>1\n"); |
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| 128 | return 0; |
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| 129 | } |
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| 130 | |
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| 131 | answer = elliptical_cylinder_kernel(pars, q, alpha, pars->cyl_psi,nu); |
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| 132 | |
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[ae3ce4e] | 133 | // Multiply by contrast^2 |
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| 134 | answer *= pars->contrast*pars->contrast; |
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[3fe701a] | 135 | |
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[ae3ce4e] | 136 | //normalize by cylinder volume |
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| 137 | //NOTE that for this (Fournet) definition of the integral, one must MULTIPLY by Vcyl |
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| 138 | vol = acos(-1.0) * pars->r_minor * pars->r_minor * pars->r_ratio * pars->length; |
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| 139 | answer *= vol; |
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[3fe701a] | 140 | |
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[ae3ce4e] | 141 | //convert to [cm-1] |
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| 142 | answer *= 1.0e8; |
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[3fe701a] | 143 | |
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[ae3ce4e] | 144 | //Scale |
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| 145 | answer *= pars->scale; |
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[3fe701a] | 146 | |
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[ae3ce4e] | 147 | // add in the background |
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| 148 | answer += pars->background; |
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[3fe701a] | 149 | |
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[ae3ce4e] | 150 | return answer; |
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| 151 | } |
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[3fe701a] | 152 | |
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