[2222134] | 1 | double form_volume(double radius_equat_core, |
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[5031ca3] | 2 | double polar_core, |
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| 3 | double equat_shell, |
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| 4 | double polar_shell); |
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[81dd619] | 5 | double Iq(double q, |
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[2222134] | 6 | double radius_equat_core, |
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[5031ca3] | 7 | double x_core, |
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| 8 | double thick_shell, |
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| 9 | double x_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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[81dd619] | 13 | |
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| 14 | |
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| 15 | double Iqxy(double qx, double qy, |
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[2222134] | 16 | double radius_equat_core, |
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[5031ca3] | 17 | double x_core, |
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| 18 | double thick_shell, |
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| 19 | double x_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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[81dd619] | 23 | double theta, |
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| 24 | double phi); |
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| 25 | |
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| 26 | |
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[2222134] | 27 | double form_volume(double radius_equat_core, |
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[5031ca3] | 28 | double x_core, |
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| 29 | double thick_shell, |
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| 30 | double x_polar_shell) |
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[81dd619] | 31 | { |
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[5031ca3] | 32 | const double equat_shell = radius_equat_core + thick_shell; |
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| 33 | const double polar_shell = radius_equat_core*x_core + thick_shell*x_polar_shell; |
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[5bddd89] | 34 | double vol = M_4PI_3*equat_shell*equat_shell*polar_shell; |
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[81dd619] | 35 | return vol; |
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| 36 | } |
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| 37 | |
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| 38 | static double |
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[5031ca3] | 39 | core_shell_ellipsoid_xt_kernel(double q, |
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[2222134] | 40 | double radius_equat_core, |
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[5031ca3] | 41 | double x_core, |
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| 42 | double thick_shell, |
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| 43 | double x_polar_shell, |
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| 44 | double core_sld, |
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| 45 | double shell_sld, |
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| 46 | double solvent_sld) |
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[81dd619] | 47 | { |
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[e7678b2] | 48 | const double lolim = 0.0; |
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| 49 | const double uplim = 1.0; |
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[81dd619] | 50 | |
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| 51 | |
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[5031ca3] | 52 | const double delpc = core_sld - shell_sld; //core - shell |
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| 53 | const double delps = shell_sld - solvent_sld; //shell - solvent |
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| 54 | |
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| 55 | |
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| 56 | const double polar_core = radius_equat_core*x_core; |
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| 57 | const double equat_shell = radius_equat_core + thick_shell; |
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| 58 | const double polar_shell = radius_equat_core*x_core + thick_shell*x_polar_shell; |
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[81dd619] | 59 | |
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[0a3d9b2] | 60 | double summ = 0.0; //initialize intergral |
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| 61 | for(int i=0;i<76;i++) { |
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[5bddd89] | 62 | double zi = 0.5*( Gauss76Z[i]*(uplim-lolim) + uplim + lolim ); |
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[0a3d9b2] | 63 | double yyy = gfn4(zi, radius_equat_core, polar_core, equat_shell, |
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| 64 | polar_shell, delpc, delps, q); |
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| 65 | summ += Gauss76Wt[i] * yyy; |
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[e7678b2] | 66 | } |
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[0a3d9b2] | 67 | summ *= 0.5*(uplim-lolim); |
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[81dd619] | 68 | |
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[0a3d9b2] | 69 | // convert to [cm-1] |
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| 70 | return 1.0e-4 * summ; |
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[81dd619] | 71 | } |
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| 72 | |
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| 73 | static double |
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[5bddd89] | 74 | core_shell_ellipsoid_xt_kernel_2d(double qx, double qy, |
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[2222134] | 75 | double radius_equat_core, |
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[5031ca3] | 76 | double x_core, |
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| 77 | double thick_shell, |
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| 78 | double x_polar_shell, |
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| 79 | double core_sld, |
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| 80 | double shell_sld, |
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| 81 | double solvent_sld, |
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[81dd619] | 82 | double theta, |
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| 83 | double phi) |
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| 84 | { |
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[5bddd89] | 85 | double q, sin_alpha, cos_alpha; |
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| 86 | ORIENT_SYMMETRIC(qx, qy, theta, phi, q, sin_alpha, cos_alpha); |
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[81dd619] | 87 | |
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[5031ca3] | 88 | const double sldcs = core_sld - shell_sld; |
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| 89 | const double sldss = shell_sld- solvent_sld; |
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[81dd619] | 90 | |
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[5031ca3] | 91 | const double polar_core = radius_equat_core*x_core; |
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| 92 | const double equat_shell = radius_equat_core + thick_shell; |
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| 93 | const double polar_shell = radius_equat_core*x_core + thick_shell*x_polar_shell; |
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| 94 | |
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| 95 | // Call the IGOR library function to get the kernel: |
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| 96 | // MUST use gfn4 not gf2 because of the def of params. |
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[5bddd89] | 97 | double answer = gfn4(cos_alpha, |
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[2222134] | 98 | radius_equat_core, |
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[5031ca3] | 99 | polar_core, |
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| 100 | equat_shell, |
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| 101 | polar_shell, |
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[81dd619] | 102 | sldcs, |
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| 103 | sldss, |
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| 104 | q); |
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| 105 | |
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| 106 | //convert to [cm-1] |
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| 107 | answer *= 1.0e-4; |
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| 108 | |
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| 109 | return answer; |
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| 110 | } |
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| 111 | |
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| 112 | double Iq(double q, |
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[2222134] | 113 | double radius_equat_core, |
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[5031ca3] | 114 | double x_core, |
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| 115 | double thick_shell, |
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| 116 | double x_polar_shell, |
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| 117 | double core_sld, |
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| 118 | double shell_sld, |
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| 119 | double solvent_sld) |
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[81dd619] | 120 | { |
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[5031ca3] | 121 | double intensity = core_shell_ellipsoid_xt_kernel(q, |
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[2222134] | 122 | radius_equat_core, |
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[5031ca3] | 123 | x_core, |
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| 124 | thick_shell, |
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| 125 | x_polar_shell, |
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| 126 | core_sld, |
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| 127 | shell_sld, |
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| 128 | solvent_sld); |
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[81dd619] | 129 | |
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| 130 | return intensity; |
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| 131 | } |
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| 132 | |
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| 133 | |
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| 134 | double Iqxy(double qx, double qy, |
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[2222134] | 135 | double radius_equat_core, |
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[5031ca3] | 136 | double x_core, |
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| 137 | double thick_shell, |
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| 138 | double x_polar_shell, |
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| 139 | double core_sld, |
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| 140 | double shell_sld, |
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| 141 | double solvent_sld, |
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[81dd619] | 142 | double theta, |
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| 143 | double phi) |
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| 144 | { |
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[5bddd89] | 145 | double intensity = core_shell_ellipsoid_xt_kernel_2d(qx, qy, |
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[2222134] | 146 | radius_equat_core, |
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[5031ca3] | 147 | x_core, |
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| 148 | thick_shell, |
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| 149 | x_polar_shell, |
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| 150 | core_sld, |
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| 151 | shell_sld, |
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| 152 | solvent_sld, |
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[81dd619] | 153 | theta, |
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| 154 | phi); |
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| 155 | |
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| 156 | return intensity; |
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| 157 | } |
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