[2222134] | 1 | double form_volume(double radius, double thick_rim, double thick_face, double length); |
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[8007311] | 2 | double Iq(double q, |
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| 3 | double radius, |
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[2222134] | 4 | double thick_rim, |
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| 5 | double thick_face, |
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[8007311] | 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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[2222134] | 15 | double thick_rim, |
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| 16 | double thick_face, |
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[8007311] | 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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[2222134] | 26 | double form_volume(double radius, double thick_rim, double thick_face, double length) |
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[8007311] | 27 | { |
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[5bddd89] | 28 | return M_PI*(radius+thick_rim)*(radius+thick_rim)*(length+2.0*thick_face); |
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[8007311] | 29 | } |
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| 30 | |
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| 31 | static double |
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[b260926] | 32 | bicelle_kernel(double q, |
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[8007311] | 33 | double rad, |
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| 34 | double radthick, |
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| 35 | double facthick, |
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[b260926] | 36 | double halflength, |
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[8007311] | 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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[5bddd89] | 41 | double sin_alpha, |
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| 42 | double cos_alpha) |
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[8007311] | 43 | { |
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[e7678b2] | 44 | const double dr1 = rhoc-rhoh; |
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| 45 | const double dr2 = rhor-rhosolv; |
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| 46 | const double dr3 = rhoh-rhor; |
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[b260926] | 47 | const double vol1 = M_PI*square(rad)*2.0*(halflength); |
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| 48 | const double vol2 = M_PI*square(rad+radthick)*2.0*(halflength+facthick); |
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| 49 | const double vol3 = M_PI*square(rad)*2.0*(halflength+facthick); |
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| 50 | |
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| 51 | const double be1 = sas_2J1x_x(q*(rad)*sin_alpha); |
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| 52 | const double be2 = sas_2J1x_x(q*(rad+radthick)*sin_alpha); |
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| 53 | const double si1 = sas_sinx_x(q*(halflength)*cos_alpha); |
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| 54 | const double si2 = sas_sinx_x(q*(halflength+facthick)*cos_alpha); |
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[e7678b2] | 55 | |
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| 56 | const double t = vol1*dr1*si1*be1 + |
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| 57 | vol2*dr2*si2*be2 + |
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| 58 | vol3*dr3*si2*be1; |
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| 59 | |
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[b260926] | 60 | const double retval = t*t; |
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[e7678b2] | 61 | |
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[5bddd89] | 62 | return retval; |
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[8007311] | 63 | |
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| 64 | } |
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| 65 | |
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| 66 | static double |
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[b260926] | 67 | bicelle_integration(double q, |
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[8007311] | 68 | double rad, |
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| 69 | double radthick, |
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| 70 | double facthick, |
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| 71 | double length, |
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| 72 | double rhoc, |
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| 73 | double rhoh, |
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| 74 | double rhor, |
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| 75 | double rhosolv) |
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| 76 | { |
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[e7678b2] | 77 | // set up the integration end points |
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[5bddd89] | 78 | const double uplim = M_PI_4; |
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[b260926] | 79 | const double halflength = 0.5*length; |
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[e7678b2] | 80 | |
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| 81 | double summ = 0.0; |
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| 82 | for(int i=0;i<N_POINTS_76;i++) { |
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[5bddd89] | 83 | double alpha = (Gauss76Z[i] + 1.0)*uplim; |
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| 84 | double sin_alpha, cos_alpha; // slots to hold sincos function output |
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| 85 | SINCOS(alpha, sin_alpha, cos_alpha); |
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[b260926] | 86 | double yyy = Gauss76Wt[i] * bicelle_kernel(q, rad, radthick, facthick, |
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| 87 | halflength, rhoc, rhoh, rhor, rhosolv, |
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[5bddd89] | 88 | sin_alpha, cos_alpha); |
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[b260926] | 89 | summ += yyy*sin_alpha; |
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[e7678b2] | 90 | } |
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| 91 | |
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| 92 | // calculate value of integral to return |
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| 93 | double answer = uplim*summ; |
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[5bddd89] | 94 | return answer; |
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[8007311] | 95 | } |
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| 96 | |
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| 97 | static double |
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[5bddd89] | 98 | bicelle_kernel_2d(double qx, double qy, |
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[8007311] | 99 | double radius, |
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[2222134] | 100 | double thick_rim, |
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| 101 | double thick_face, |
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[8007311] | 102 | double length, |
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| 103 | double core_sld, |
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| 104 | double face_sld, |
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| 105 | double rim_sld, |
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| 106 | double solvent_sld, |
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| 107 | double theta, |
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| 108 | double phi) |
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| 109 | { |
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[5bddd89] | 110 | double q, sin_alpha, cos_alpha; |
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| 111 | ORIENT_SYMMETRIC(qx, qy, theta, phi, q, sin_alpha, cos_alpha); |
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[8007311] | 112 | |
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[2222134] | 113 | double answer = bicelle_kernel(q, radius, thick_rim, thick_face, |
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[5bddd89] | 114 | 0.5*length, core_sld, face_sld, rim_sld, |
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[b260926] | 115 | solvent_sld, sin_alpha, cos_alpha); |
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| 116 | return 1.0e-4*answer; |
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[8007311] | 117 | } |
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| 118 | |
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| 119 | double Iq(double q, |
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| 120 | double radius, |
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[2222134] | 121 | double thick_rim, |
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| 122 | double thick_face, |
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[8007311] | 123 | double length, |
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| 124 | double core_sld, |
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| 125 | double face_sld, |
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| 126 | double rim_sld, |
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| 127 | double solvent_sld) |
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| 128 | { |
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[2222134] | 129 | double intensity = bicelle_integration(q, radius, thick_rim, thick_face, |
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[8007311] | 130 | length, core_sld, face_sld, rim_sld, solvent_sld); |
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| 131 | return intensity*1.0e-4; |
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| 132 | } |
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| 133 | |
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| 134 | |
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| 135 | double Iqxy(double qx, double qy, |
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| 136 | double radius, |
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[2222134] | 137 | double thick_rim, |
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| 138 | double thick_face, |
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[8007311] | 139 | double length, |
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| 140 | double core_sld, |
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| 141 | double face_sld, |
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| 142 | double rim_sld, |
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| 143 | double solvent_sld, |
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| 144 | double theta, |
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| 145 | double phi) |
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| 146 | { |
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[5bddd89] | 147 | double intensity = bicelle_kernel_2d(qx, qy, |
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[8007311] | 148 | radius, |
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[2222134] | 149 | thick_rim, |
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| 150 | thick_face, |
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[8007311] | 151 | length, |
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| 152 | core_sld, |
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| 153 | face_sld, |
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| 154 | rim_sld, |
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| 155 | solvent_sld, |
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| 156 | theta, |
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| 157 | phi); |
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| 158 | |
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| 159 | return intensity; |
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| 160 | } |
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