1 | double form_volume(double equat_core, |
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2 | double polar_core, |
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3 | double equat_shell, |
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4 | double polar_shell); |
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5 | double Iq(double q, |
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6 | double equat_core, |
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7 | double polar_core, |
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8 | double equat_shell, |
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9 | double polar_shell, |
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10 | double sld_core, |
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11 | double sld_shell, |
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12 | double sld_solvent); |
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13 | |
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14 | |
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15 | double Iqxy(double qx, double qy, |
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16 | double equat_core, |
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17 | double polar_core, |
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18 | double equat_shell, |
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19 | double polar_shell, |
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20 | double sld_core, |
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21 | double sld_shell, |
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22 | double sld_solvent, |
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23 | double theta, |
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24 | double phi); |
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25 | |
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26 | |
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27 | double form_volume(double equat_core, |
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28 | double polar_core, |
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29 | double equat_shell, |
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30 | double polar_shell) |
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31 | { |
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32 | double vol = 4.0*M_PI/3.0*equat_shell*equat_shell*polar_shell; |
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33 | return vol; |
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34 | } |
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35 | |
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36 | static double |
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37 | core_shell_ellipsoid_kernel(double q, |
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38 | double equat_core, |
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39 | double polar_core, |
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40 | double equat_shell, |
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41 | double polar_shell, |
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42 | double sld_core, |
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43 | double sld_shell, |
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44 | double sld_solvent) |
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45 | { |
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46 | |
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47 | //upper and lower integration limits |
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48 | const double lolim = 0.0; |
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49 | const double uplim = 1.0; |
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50 | |
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51 | double summ = 0.0; //initialize intergral |
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52 | |
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53 | const double delpc = sld_core - sld_shell; //core - shell |
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54 | const double delps = sld_shell - sld_solvent; //shell - solvent |
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55 | |
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56 | for(int i=0;i<N_POINTS_76;i++) { |
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57 | double zi = ( Gauss76Z[i]*(uplim-lolim) + uplim + lolim )/2.0; |
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58 | double yyy = Gauss76Wt[i] * gfn4(zi, |
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59 | equat_core, |
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60 | polar_core, |
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61 | equat_shell, |
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62 | polar_shell, |
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63 | delpc, |
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64 | delps, |
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65 | q); |
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66 | summ += yyy; |
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67 | } |
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68 | |
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69 | double answer = (uplim-lolim)/2.0*summ; |
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70 | |
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71 | //convert to [cm-1] |
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72 | answer *= 1.0e-4; |
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73 | |
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74 | return answer; |
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75 | } |
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76 | |
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77 | static double |
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78 | core_shell_ellipsoid_kernel_2d(double q, double q_x, double q_y, |
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79 | double equat_core, |
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80 | double polar_core, |
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81 | double equat_shell, |
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82 | double polar_shell, |
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83 | double sld_core, |
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84 | double sld_shell, |
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85 | double sld_solvent, |
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86 | double theta, |
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87 | double phi) |
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88 | { |
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89 | //convert angle degree to radian |
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90 | theta = theta * M_PI_180; |
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91 | phi = phi * M_PI_180; |
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92 | |
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93 | |
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94 | // ellipsoid orientation, the axis of the rotation is consistent with the ploar axis. |
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95 | const double cyl_x = cos(theta) * cos(phi); |
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96 | const double cyl_y = sin(theta); |
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97 | |
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98 | const double sldcs = sld_core - sld_shell; |
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99 | const double sldss = sld_shell- sld_solvent; |
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100 | |
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101 | // Compute the angle btw vector q and the |
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102 | // axis of the cylinder |
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103 | const double cos_val = cyl_x*q_x + cyl_y*q_y; |
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104 | |
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105 | // Call the IGOR library function to get the kernel: MUST use gfn4 not gf2 because of the def of params. |
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106 | double answer = gfn4(cos_val, |
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107 | equat_core, |
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108 | polar_core, |
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109 | equat_shell, |
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110 | polar_shell, |
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111 | sldcs, |
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112 | sldss, |
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113 | q); |
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114 | |
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115 | //convert to [cm-1] |
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116 | answer *= 1.0e-4; |
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117 | |
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118 | return answer; |
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119 | } |
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120 | |
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121 | double Iq(double q, |
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122 | double equat_core, |
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123 | double polar_core, |
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124 | double equat_shell, |
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125 | double polar_shell, |
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126 | double sld_core, |
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127 | double sld_shell, |
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128 | double sld_solvent) |
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129 | { |
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130 | double intensity = core_shell_ellipsoid_kernel(q, |
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131 | equat_core, |
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132 | polar_core, |
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133 | equat_shell, |
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134 | polar_shell, |
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135 | sld_core, |
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136 | sld_shell, |
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137 | sld_solvent); |
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138 | |
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139 | return intensity; |
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140 | } |
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141 | |
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142 | |
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143 | double Iqxy(double qx, double qy, |
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144 | double equat_core, |
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145 | double polar_core, |
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146 | double equat_shell, |
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147 | double polar_shell, |
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148 | double sld_core, |
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149 | double sld_shell, |
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150 | double sld_solvent, |
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151 | double theta, |
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152 | double phi) |
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153 | { |
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154 | double q; |
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155 | q = sqrt(qx*qx+qy*qy); |
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156 | double intensity = core_shell_ellipsoid_kernel_2d(q, qx/q, qy/q, |
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157 | equat_core, |
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158 | polar_core, |
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159 | equat_shell, |
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160 | polar_shell, |
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161 | sld_core, |
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162 | sld_shell, |
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163 | sld_solvent, |
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164 | theta, |
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165 | phi); |
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166 | |
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167 | return intensity; |
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168 | } |
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