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[7]; |
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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->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->sldCyl; |
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27 | dp[5] = pars->sldSolv; |
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28 | dp[6] = pars->background; |
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29 | |
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30 | // Call library function to evaluate model |
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31 | return EllipCyl20(dp, q); |
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32 | } |
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33 | |
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34 | double elliptical_cylinder_kernel(EllipticalCylinderParameters *pars, double q, double alpha, double nu) { |
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35 | double qr; |
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36 | double qL; |
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37 | double Be,Si; |
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38 | double r_major; |
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39 | double kernel; |
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40 | |
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41 | r_major = pars->r_ratio * pars->r_minor; |
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42 | |
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43 | 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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44 | qL = q*pars->length*cos(alpha)/2.0; |
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45 | |
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46 | if (qr==0){ |
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47 | Be = 0.5; |
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48 | }else{ |
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49 | Be = NR_BessJ1(qr)/qr; |
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50 | } |
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51 | if (qL==0){ |
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52 | Si = 1.0; |
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53 | }else{ |
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54 | Si = sin(qL)/qL; |
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55 | } |
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56 | |
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57 | |
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58 | kernel = 2.0*Be * Si; |
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59 | return kernel*kernel; |
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60 | } |
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61 | |
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62 | /** |
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63 | * Function to evaluate 2D scattering function |
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64 | * @param pars: parameters of the cylinder |
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65 | * @param q: q-value |
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66 | * @return: function value |
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67 | */ |
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68 | double elliptical_cylinder_analytical_2DXY(EllipticalCylinderParameters *pars, double qx, double qy) { |
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69 | double q; |
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70 | q = sqrt(qx*qx+qy*qy); |
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71 | return elliptical_cylinder_analytical_2D_scaled(pars, q, qx/q, qy/q); |
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72 | } |
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73 | |
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74 | /** |
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75 | * Function to evaluate 2D scattering function |
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76 | * @param pars: parameters of the cylinder |
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77 | * @param q: q-value |
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78 | * @param theta: angle theta = angle wrt z axis |
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79 | * @param phi: angle phi = angle around y axis (starting from the x+-direction as phi = 0) |
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80 | * @return: function value |
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81 | */ |
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82 | double elliptical_cylinder_analytical_2D(EllipticalCylinderParameters *pars, double q, double phi) { |
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83 | return elliptical_cylinder_analytical_2D_scaled(pars, q, cos(phi), sin(phi)); |
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84 | } |
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85 | |
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86 | /** |
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87 | * Function to evaluate 2D scattering function |
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88 | * @param pars: parameters of the cylinder |
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89 | * @param q: q-value |
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90 | * @param q_x: q_x / q |
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91 | * @param q_y: q_y / q |
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92 | * @return: function value |
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93 | */ |
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94 | double elliptical_cylinder_analytical_2D_scaled(EllipticalCylinderParameters *pars, double q, double q_x, double q_y) { |
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95 | double cyl_x, cyl_y, cyl_z; |
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96 | double ell_x, ell_y; |
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97 | double q_z; |
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98 | double alpha, vol, cos_val; |
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99 | double nu, cos_nu; |
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100 | double answer; |
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101 | |
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102 | //Cylinder orientation |
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103 | cyl_x = sin(pars->cyl_theta) * cos(pars->cyl_phi); |
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104 | cyl_y = sin(pars->cyl_theta) * sin(pars->cyl_phi); |
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105 | cyl_z = cos(pars->cyl_theta); |
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106 | |
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107 | // q vector |
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108 | q_z = 0; |
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109 | |
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110 | // Compute the angle btw vector q and the |
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111 | // axis of the cylinder |
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112 | cos_val = cyl_x*q_x + cyl_y*q_y + cyl_z*q_z; |
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113 | |
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114 | // The following test should always pass |
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115 | if (fabs(cos_val)>1.0) { |
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116 | printf("cyl_ana_2D: Unexpected error: cos(alpha)>1\n"); |
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117 | return 0; |
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118 | } |
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119 | |
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120 | // Note: cos(alpha) = 0 and 1 will get an |
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121 | // undefined value from CylKernel |
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122 | alpha = acos( cos_val ); |
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123 | |
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124 | //ellipse orientation: |
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125 | // the elliptical corss section was transformed and projected |
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126 | // into the detector plane already through sin(alpha)and furthermore psi remains as same |
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127 | // on the detector plane. |
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128 | // So, all we need is to calculate the angle (nu) of the minor axis of the ellipse wrt |
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129 | // the wave vector q. |
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130 | |
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131 | //x- y- component on the detector plane. |
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132 | ell_x = cos(pars->cyl_psi); |
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133 | ell_y = sin(pars->cyl_psi); |
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134 | |
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135 | // calculate the axis of the ellipse wrt q-coord. |
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136 | cos_nu = ell_x*q_x + ell_y*q_y; |
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137 | nu = acos(cos_nu); |
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138 | |
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139 | // The following test should always pass |
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140 | if (fabs(cos_nu)>1.0) { |
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141 | printf("cyl_ana_2D: Unexpected error: cos(nu)>1\n"); |
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142 | return 0; |
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143 | } |
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144 | |
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145 | answer = elliptical_cylinder_kernel(pars, q, alpha,nu); |
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146 | |
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147 | // Multiply by contrast^2 |
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148 | answer *= (pars->sldCyl - pars->sldSolv) * (pars->sldCyl - pars->sldSolv); |
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149 | |
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150 | //normalize by cylinder volume |
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151 | //NOTE that for this (Fournet) definition of the integral, one must MULTIPLY by Vcyl |
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152 | vol = acos(-1.0) * pars->r_minor * pars->r_minor * pars->r_ratio * pars->length; |
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153 | answer *= vol; |
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154 | |
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155 | //convert to [cm-1] |
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156 | answer *= 1.0e8; |
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157 | |
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158 | //Scale |
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159 | answer *= pars->scale; |
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160 | |
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161 | // add in the background |
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162 | answer += pars->background; |
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163 | |
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164 | return answer; |
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165 | } |
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166 | |
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