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 core_sld, |
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11 | double shell_sld, |
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12 | double solvent_sld); |
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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 core_sld, |
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21 | double shell_sld, |
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22 | double solvent_sld, |
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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 core_sld, |
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43 | double shell_sld, |
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44 | double solvent_sld) |
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45 | { |
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46 | double delpc,delps; |
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47 | double uplim,lolim; //upper and lower integration limits |
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48 | double summ,zi,yyy,answer; //running tally of integration |
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49 | |
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50 | lolim = 0.0; |
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51 | uplim = 1.0; |
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52 | |
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53 | summ = 0.0; //initialize intergral |
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54 | |
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55 | delpc = core_sld - shell_sld; //core - shell |
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56 | delps = shell_sld - solvent_sld; //shell - solvent |
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57 | |
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58 | for(int i=0;i<76;i++) { |
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59 | zi = ( Gauss76Z[i]*(uplim-lolim) + uplim + lolim )/2.0; |
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60 | yyy = Gauss76Wt[i] * gfn4(zi, |
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61 | equat_core, |
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62 | polar_core, |
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63 | equat_shell, |
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64 | polar_shell, |
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65 | delpc, |
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66 | delps, |
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67 | q); |
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68 | summ += yyy; |
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69 | } |
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70 | |
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71 | answer = (uplim-lolim)/2.0*summ; |
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72 | |
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73 | //convert to [cm-1] |
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74 | answer *= 1.0e-4; |
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75 | |
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76 | return answer; |
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77 | } |
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78 | |
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79 | static double |
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80 | core_shell_ellipsoid_kernel_2d(double q, double q_x, double q_y, |
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81 | double equat_core, |
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82 | double polar_core, |
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83 | double equat_shell, |
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84 | double polar_shell, |
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85 | double core_sld, |
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86 | double shell_sld, |
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87 | double solvent_sld, |
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88 | double theta, |
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89 | double phi) |
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90 | { |
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91 | double cyl_x, cyl_y; |
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92 | double cos_val; |
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93 | double answer; |
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94 | double sldcs,sldss; |
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95 | |
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96 | //convert angle degree to radian |
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97 | theta = theta * M_PI/180.0; |
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98 | phi = phi * M_PI/180.0; |
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99 | |
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100 | |
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101 | // ellipsoid orientation, the axis of the rotation is consistent with the ploar axis. |
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102 | cyl_x = cos(theta) * cos(phi); |
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103 | cyl_y = sin(theta); |
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104 | |
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105 | sldcs = core_sld - shell_sld; |
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106 | sldss = shell_sld- solvent_sld; |
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107 | |
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108 | // Compute the angle btw vector q and the |
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109 | // axis of the cylinder |
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110 | cos_val = cyl_x*q_x + cyl_y*q_y; |
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111 | |
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112 | // Call the IGOR library function to get the kernel: MUST use gfn4 not gf2 because of the def of params. |
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113 | answer = gfn4(cos_val, |
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114 | equat_core, |
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115 | polar_core, |
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116 | equat_shell, |
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117 | polar_shell, |
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118 | sldcs, |
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119 | sldss, |
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120 | q); |
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121 | |
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122 | //convert to [cm-1] |
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123 | answer *= 1.0e-4; |
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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 | double Iq(double q, |
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129 | double equat_core, |
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130 | double polar_core, |
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131 | double equat_shell, |
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132 | double polar_shell, |
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133 | double core_sld, |
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134 | double shell_sld, |
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135 | double solvent_sld) |
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136 | { |
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137 | double intensity = core_shell_ellipsoid_kernel(q, |
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138 | equat_core, |
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139 | polar_core, |
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140 | equat_shell, |
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141 | polar_shell, |
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142 | core_sld, |
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143 | shell_sld, |
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144 | solvent_sld); |
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145 | |
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146 | return intensity; |
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147 | } |
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148 | |
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149 | |
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150 | double Iqxy(double qx, double qy, |
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151 | double equat_core, |
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152 | double polar_core, |
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153 | double equat_shell, |
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154 | double polar_shell, |
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155 | double core_sld, |
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156 | double shell_sld, |
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157 | double solvent_sld, |
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158 | double theta, |
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159 | double phi) |
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160 | { |
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161 | double q; |
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162 | q = sqrt(qx*qx+qy*qy); |
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163 | double intensity = core_shell_ellipsoid_kernel_2d(q, qx/q, qy/q, |
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164 | equat_core, |
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165 | polar_core, |
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166 | equat_shell, |
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167 | polar_shell, |
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168 | core_sld, |
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169 | shell_sld, |
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170 | solvent_sld, |
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171 | theta, |
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172 | phi); |
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173 | |
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174 | return intensity; |
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175 | } |
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