1 | double form_volume(double radius, double rim_thickness, double face_thickness, double length); |
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2 | double Iq(double q, |
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3 | double radius, |
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4 | double rim_thickness, |
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5 | double face_thickness, |
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6 | double length, |
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7 | double core_sld, |
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8 | double face_sld, |
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9 | double rim_sld, |
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10 | double solvent_sld); |
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11 | |
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12 | |
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13 | double Iqxy(double qx, double qy, |
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14 | double radius, |
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15 | double rim_thickness, |
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16 | double face_thickness, |
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17 | double length, |
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18 | double core_sld, |
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19 | double face_sld, |
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20 | double rim_sld, |
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21 | double solvent_sld, |
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22 | double theta, |
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23 | double phi); |
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24 | |
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25 | |
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26 | double form_volume(double radius, double rim_thickness, double face_thickness, double length) |
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27 | { |
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28 | return M_PI*(radius+rim_thickness)*(radius+rim_thickness)*(length+2*face_thickness); |
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29 | } |
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30 | |
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31 | static double |
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32 | bicelle_kernel(double qq, |
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33 | double rad, |
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34 | double radthick, |
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35 | double facthick, |
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36 | double length, |
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37 | double rhoc, |
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38 | double rhoh, |
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39 | double rhor, |
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40 | double rhosolv, |
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41 | double dum) |
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42 | { |
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43 | double dr1,dr2,dr3; |
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44 | double besarg1,besarg2; |
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45 | double vol1,vol2,vol3; |
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46 | double sinarg1,sinarg2; |
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47 | double t1,t2,t3; |
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48 | double retval,si1,si2,be1,be2; |
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49 | |
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50 | dr1 = rhoc-rhoh; |
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51 | dr2 = rhor-rhosolv; |
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52 | dr3= rhoh-rhor; |
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53 | vol1 = M_PI*rad*rad*(2.0*length); |
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54 | vol2 = M_PI*(rad+radthick)*(rad+radthick)*(2.0*length+2.0*facthick); |
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55 | vol3= M_PI*(rad)*(rad)*(2.0*length+2.0*facthick); |
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56 | besarg1 = qq*rad*sin(dum); |
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57 | besarg2 = qq*(rad+radthick)*sin(dum); |
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58 | sinarg1 = qq*length*cos(dum); |
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59 | sinarg2 = qq*(length+facthick)*cos(dum); |
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60 | |
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61 | if(besarg1 == 0) { |
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62 | be1 = 0.5; |
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63 | } else { |
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64 | be1 = J1(besarg1)/besarg1; |
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65 | } |
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66 | if(besarg2 == 0) { |
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67 | be2 = 0.5; |
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68 | } else { |
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69 | be2 = J1(besarg2)/besarg2; |
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70 | } |
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71 | if(sinarg1 == 0) { |
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72 | si1 = 1.0; |
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73 | } else { |
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74 | si1 = sin(sinarg1)/sinarg1; |
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75 | } |
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76 | if(sinarg2 == 0) { |
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77 | si2 = 1.0; |
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78 | } else { |
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79 | si2 = sin(sinarg2)/sinarg2; |
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80 | } |
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81 | t1 = 2.0*vol1*dr1*si1*be1; |
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82 | t2 = 2.0*vol2*dr2*si2*be2; |
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83 | t3 = 2.0*vol3*dr3*si2*be1; |
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84 | |
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85 | retval = ((t1+t2+t3)*(t1+t2+t3))*sin(dum); |
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86 | return(retval); |
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87 | |
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88 | } |
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89 | |
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90 | static double |
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91 | bicelle_integration(double qq, |
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92 | double rad, |
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93 | double radthick, |
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94 | double facthick, |
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95 | double length, |
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96 | double rhoc, |
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97 | double rhoh, |
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98 | double rhor, |
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99 | double rhosolv) |
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100 | { |
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101 | |
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102 | |
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103 | double answer,halfheight; |
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104 | double lolim,uplim,summ,yyy,zi; |
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105 | int nord,i; |
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106 | |
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107 | // set up the integration end points |
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108 | nord = 76; |
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109 | lolim = 0.0; |
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110 | uplim = M_PI/2; |
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111 | halfheight = length/2.0; |
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112 | |
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113 | summ = 0.0; |
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114 | i=0; |
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115 | for(i=0;i<nord;i++) { |
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116 | zi = ( Gauss76Z[i]*(uplim-lolim) + uplim + lolim )/2.0; |
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117 | yyy = Gauss76Wt[i] * bicelle_kernel(qq, rad, radthick, facthick, |
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118 | halfheight, rhoc, rhoh, rhor,rhosolv, zi); |
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119 | summ += yyy; |
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120 | } |
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121 | |
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122 | // calculate value of integral to return |
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123 | answer = (uplim-lolim)/2.0*summ; |
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124 | return(answer); |
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125 | } |
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126 | |
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127 | static double |
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128 | bicelle_kernel_2d(double q, double q_x, double q_y, |
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129 | double radius, |
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130 | double rim_thickness, |
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131 | double face_thickness, |
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132 | double length, |
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133 | double core_sld, |
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134 | double face_sld, |
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135 | double rim_sld, |
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136 | double solvent_sld, |
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137 | double theta, |
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138 | double phi) |
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139 | { |
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140 | double cyl_x, cyl_y; |
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141 | double alpha, cos_val; |
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142 | double answer; |
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143 | |
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144 | //convert angle degree to radian |
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145 | theta *= M_PI/180.0; |
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146 | phi *= M_PI/180.0; |
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147 | |
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148 | // Cylinder orientation |
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149 | cyl_x = cos(theta) * cos(phi); |
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150 | cyl_y = sin(theta); |
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151 | |
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152 | // Compute the angle btw vector q and the axis of the cylinder |
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153 | cos_val = cyl_x*q_x + cyl_y*q_y; |
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154 | alpha = acos( cos_val ); |
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155 | |
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156 | // Get the kernel |
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157 | answer = bicelle_kernel(q, radius, rim_thickness, face_thickness, |
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158 | length/2.0, core_sld, face_sld, rim_sld, |
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159 | solvent_sld, alpha) / fabs(sin(alpha)); |
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160 | |
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161 | answer *= 1.0e-4; |
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162 | |
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163 | return answer; |
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164 | } |
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165 | |
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166 | double Iq(double q, |
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167 | double radius, |
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168 | double rim_thickness, |
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169 | double face_thickness, |
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170 | double length, |
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171 | double core_sld, |
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172 | double face_sld, |
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173 | double rim_sld, |
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174 | double solvent_sld) |
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175 | { |
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176 | double intensity = bicelle_integration(q, radius, rim_thickness, face_thickness, |
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177 | length, core_sld, face_sld, rim_sld, solvent_sld); |
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178 | return intensity*1.0e-4; |
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179 | } |
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180 | |
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181 | |
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182 | double Iqxy(double qx, double qy, |
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183 | double radius, |
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184 | double rim_thickness, |
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185 | double face_thickness, |
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186 | double length, |
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187 | double core_sld, |
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188 | double face_sld, |
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189 | double rim_sld, |
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190 | double solvent_sld, |
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191 | double theta, |
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192 | double phi) |
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193 | { |
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194 | double q; |
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195 | q = sqrt(qx*qx+qy*qy); |
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196 | double intensity = bicelle_kernel_2d(q, qx/q, qy/q, |
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197 | radius, |
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198 | rim_thickness, |
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199 | face_thickness, |
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200 | length, |
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201 | core_sld, |
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202 | face_sld, |
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203 | rim_sld, |
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204 | solvent_sld, |
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205 | theta, |
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206 | phi); |
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207 | |
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208 | return intensity; |
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209 | } |
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