[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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| 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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[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 | double si1,si2,be1,be2; |
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| 45 | |
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| 46 | const double dr1 = rhoc-rhoh; |
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| 47 | const double dr2 = rhor-rhosolv; |
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| 48 | const double dr3 = rhoh-rhor; |
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| 49 | const double vol1 = M_PI*rad*rad*(2.0*length); |
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| 50 | const double vol2 = M_PI*(rad+radthick)*(rad+radthick)*2.0*(length+facthick); |
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| 51 | const double vol3 = M_PI*rad*rad*2.0*(length+facthick); |
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[5bddd89] | 52 | double besarg1 = qq*rad*sin_alpha; |
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| 53 | double besarg2 = qq*(rad+radthick)*sin_alpha; |
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| 54 | double sinarg1 = qq*length*cos_alpha; |
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| 55 | double sinarg2 = qq*(length+facthick)*cos_alpha; |
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[e7678b2] | 56 | |
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[43b7eea] | 57 | be1 = sas_J1c(besarg1); |
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| 58 | be2 = sas_J1c(besarg2); |
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[e7678b2] | 59 | si1 = sinc(sinarg1); |
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| 60 | si2 = sinc(sinarg2); |
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| 61 | |
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| 62 | const double t = vol1*dr1*si1*be1 + |
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| 63 | vol2*dr2*si2*be2 + |
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| 64 | vol3*dr3*si2*be1; |
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| 65 | |
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[5bddd89] | 66 | const double retval = t*t*sin_alpha; |
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[e7678b2] | 67 | |
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[5bddd89] | 68 | return retval; |
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[8007311] | 69 | |
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| 70 | } |
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| 71 | |
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| 72 | static double |
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| 73 | bicelle_integration(double qq, |
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| 74 | double rad, |
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| 75 | double radthick, |
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| 76 | double facthick, |
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| 77 | double length, |
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| 78 | double rhoc, |
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| 79 | double rhoh, |
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| 80 | double rhor, |
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| 81 | double rhosolv) |
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| 82 | { |
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[e7678b2] | 83 | // set up the integration end points |
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[5bddd89] | 84 | const double uplim = M_PI_4; |
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| 85 | const double halfheight = 0.5*length; |
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[e7678b2] | 86 | |
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| 87 | double summ = 0.0; |
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| 88 | for(int i=0;i<N_POINTS_76;i++) { |
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[5bddd89] | 89 | double alpha = (Gauss76Z[i] + 1.0)*uplim; |
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| 90 | double sin_alpha, cos_alpha; // slots to hold sincos function output |
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| 91 | SINCOS(alpha, sin_alpha, cos_alpha); |
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[e7678b2] | 92 | double yyy = Gauss76Wt[i] * bicelle_kernel(qq, rad, radthick, facthick, |
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[5bddd89] | 93 | halfheight, rhoc, rhoh, rhor, rhosolv, |
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| 94 | sin_alpha, cos_alpha); |
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[e7678b2] | 95 | summ += yyy; |
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| 96 | } |
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| 97 | |
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| 98 | // calculate value of integral to return |
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| 99 | double answer = uplim*summ; |
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[5bddd89] | 100 | return answer; |
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[8007311] | 101 | } |
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| 102 | |
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| 103 | static double |
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[5bddd89] | 104 | bicelle_kernel_2d(double qx, double qy, |
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[8007311] | 105 | double radius, |
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[2222134] | 106 | double thick_rim, |
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| 107 | double thick_face, |
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[8007311] | 108 | double length, |
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| 109 | double core_sld, |
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| 110 | double face_sld, |
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| 111 | double rim_sld, |
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| 112 | double solvent_sld, |
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| 113 | double theta, |
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| 114 | double phi) |
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| 115 | { |
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[5bddd89] | 116 | double q, sin_alpha, cos_alpha; |
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| 117 | ORIENT_SYMMETRIC(qx, qy, theta, phi, q, sin_alpha, cos_alpha); |
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[8007311] | 118 | |
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[2222134] | 119 | double answer = bicelle_kernel(q, radius, thick_rim, thick_face, |
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[5bddd89] | 120 | 0.5*length, core_sld, face_sld, rim_sld, |
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| 121 | solvent_sld, sin_alpha, cos_alpha) / fabs(sin_alpha); |
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[8007311] | 122 | |
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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 radius, |
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[2222134] | 130 | double thick_rim, |
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| 131 | double thick_face, |
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[8007311] | 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 | { |
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[2222134] | 138 | double intensity = bicelle_integration(q, radius, thick_rim, thick_face, |
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[8007311] | 139 | length, core_sld, face_sld, rim_sld, solvent_sld); |
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| 140 | return intensity*1.0e-4; |
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| 141 | } |
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| 142 | |
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| 143 | |
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| 144 | double Iqxy(double qx, double qy, |
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| 145 | double radius, |
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[2222134] | 146 | double thick_rim, |
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| 147 | double thick_face, |
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[8007311] | 148 | double length, |
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| 149 | double core_sld, |
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| 150 | double face_sld, |
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| 151 | double rim_sld, |
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| 152 | double solvent_sld, |
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| 153 | double theta, |
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| 154 | double phi) |
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| 155 | { |
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[5bddd89] | 156 | double intensity = bicelle_kernel_2d(qx, qy, |
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[8007311] | 157 | radius, |
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[2222134] | 158 | thick_rim, |
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| 159 | thick_face, |
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[8007311] | 160 | length, |
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| 161 | core_sld, |
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| 162 | face_sld, |
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| 163 | rim_sld, |
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| 164 | solvent_sld, |
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| 165 | theta, |
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| 166 | phi); |
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| 167 | |
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| 168 | return intensity; |
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| 169 | } |
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