[8007311] | 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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[e7678b2] | 43 | double si1,si2,be1,be2; |
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| 44 | |
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| 45 | const double dr1 = rhoc-rhoh; |
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| 46 | const double dr2 = rhor-rhosolv; |
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| 47 | const double dr3 = rhoh-rhor; |
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| 48 | const double vol1 = M_PI*rad*rad*(2.0*length); |
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| 49 | const double vol2 = M_PI*(rad+radthick)*(rad+radthick)*2.0*(length+facthick); |
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| 50 | const double vol3 = M_PI*rad*rad*2.0*(length+facthick); |
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| 51 | double sn,cn; |
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| 52 | SINCOS(dum, sn, cn); |
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| 53 | double besarg1 = qq*rad*sn; |
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| 54 | double besarg2 = qq*(rad+radthick)*sn; |
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| 55 | double sinarg1 = qq*length*cn; |
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| 56 | double sinarg2 = qq*(length+facthick)*cn; |
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| 57 | |
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[43b7eea] | 58 | be1 = sas_J1c(besarg1); |
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| 59 | be2 = sas_J1c(besarg2); |
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[e7678b2] | 60 | si1 = sinc(sinarg1); |
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| 61 | si2 = sinc(sinarg2); |
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| 62 | |
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| 63 | const double t = vol1*dr1*si1*be1 + |
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| 64 | vol2*dr2*si2*be2 + |
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| 65 | vol3*dr3*si2*be1; |
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| 66 | |
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| 67 | const double retval = t*t*sn; |
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| 68 | |
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| 69 | return(retval); |
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[8007311] | 70 | |
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| 71 | } |
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| 72 | |
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| 73 | static double |
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| 74 | bicelle_integration(double qq, |
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| 75 | double rad, |
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| 76 | double radthick, |
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| 77 | double facthick, |
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| 78 | double length, |
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| 79 | double rhoc, |
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| 80 | double rhoh, |
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| 81 | double rhor, |
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| 82 | double rhosolv) |
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| 83 | { |
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[e7678b2] | 84 | // set up the integration end points |
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| 85 | const double uplim = M_PI/4; |
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| 86 | const double halfheight = length/2.0; |
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| 87 | |
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| 88 | double summ = 0.0; |
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| 89 | for(int i=0;i<N_POINTS_76;i++) { |
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| 90 | double zi = (Gauss76Z[i] + 1.0)*uplim; |
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| 91 | double yyy = Gauss76Wt[i] * bicelle_kernel(qq, rad, radthick, facthick, |
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| 92 | halfheight, rhoc, rhoh, rhor,rhosolv, zi); |
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| 93 | summ += yyy; |
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| 94 | } |
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| 95 | |
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| 96 | // calculate value of integral to return |
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| 97 | double answer = uplim*summ; |
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| 98 | return(answer); |
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[8007311] | 99 | } |
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| 100 | |
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| 101 | static double |
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| 102 | bicelle_kernel_2d(double q, double q_x, double q_y, |
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| 103 | double radius, |
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| 104 | double rim_thickness, |
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| 105 | double face_thickness, |
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| 106 | double length, |
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| 107 | double core_sld, |
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| 108 | double face_sld, |
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| 109 | double rim_sld, |
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| 110 | double solvent_sld, |
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| 111 | double theta, |
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| 112 | double phi) |
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| 113 | { |
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| 114 | //convert angle degree to radian |
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[e7678b2] | 115 | theta *= M_PI_180; |
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| 116 | phi *= M_PI_180; |
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[8007311] | 117 | |
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| 118 | // Cylinder orientation |
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[e7678b2] | 119 | const double cyl_x = cos(theta) * cos(phi); |
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| 120 | const double cyl_y = sin(theta); |
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[8007311] | 121 | |
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| 122 | // Compute the angle btw vector q and the axis of the cylinder |
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[e7678b2] | 123 | const double cos_val = cyl_x*q_x + cyl_y*q_y; |
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| 124 | const double alpha = acos( cos_val ); |
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[8007311] | 125 | |
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| 126 | // Get the kernel |
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[e7678b2] | 127 | double answer = bicelle_kernel(q, radius, rim_thickness, face_thickness, |
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[8007311] | 128 | length/2.0, core_sld, face_sld, rim_sld, |
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| 129 | solvent_sld, alpha) / fabs(sin(alpha)); |
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| 130 | |
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| 131 | answer *= 1.0e-4; |
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| 132 | |
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| 133 | return answer; |
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| 134 | } |
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| 135 | |
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| 136 | double Iq(double q, |
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| 137 | double radius, |
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| 138 | double rim_thickness, |
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| 139 | double face_thickness, |
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| 140 | double length, |
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| 141 | double core_sld, |
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| 142 | double face_sld, |
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| 143 | double rim_sld, |
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| 144 | double solvent_sld) |
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| 145 | { |
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| 146 | double intensity = bicelle_integration(q, radius, rim_thickness, face_thickness, |
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| 147 | length, core_sld, face_sld, rim_sld, solvent_sld); |
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| 148 | return intensity*1.0e-4; |
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| 149 | } |
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| 150 | |
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| 151 | |
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| 152 | double Iqxy(double qx, double qy, |
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| 153 | double radius, |
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| 154 | double rim_thickness, |
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| 155 | double face_thickness, |
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| 156 | double length, |
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| 157 | double core_sld, |
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| 158 | double face_sld, |
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| 159 | double rim_sld, |
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| 160 | double solvent_sld, |
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| 161 | double theta, |
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| 162 | double phi) |
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| 163 | { |
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| 164 | double q; |
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| 165 | q = sqrt(qx*qx+qy*qy); |
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| 166 | double intensity = bicelle_kernel_2d(q, qx/q, qy/q, |
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| 167 | radius, |
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| 168 | rim_thickness, |
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| 169 | face_thickness, |
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| 170 | length, |
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| 171 | core_sld, |
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| 172 | face_sld, |
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| 173 | rim_sld, |
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| 174 | solvent_sld, |
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| 175 | theta, |
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| 176 | phi); |
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| 177 | |
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| 178 | return intensity; |
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| 179 | } |
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