[a807206] | 1 | double form_volume(double radius_equat_minor, double radius_equat_major, double radius_polar); |
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| 2 | double Iq(double q, double sld, double sld_solvent, |
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| 3 | double radius_equat_minor, double radius_equat_major, double radius_polar); |
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| 4 | double Iqxy(double qx, double qy, double sld, double sld_solvent, |
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| 5 | double radius_equat_minor, double radius_equat_major, double radius_polar, double theta, double phi, double psi); |
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[5d4777d] | 6 | |
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[a807206] | 7 | //#define INVALID(v) (v.radius_equat_minor > v.radius_equat_major || v.radius_equat_major > v.radius_polar) |
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[2f5c6d4] | 8 | |
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| 9 | |
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[a807206] | 10 | double form_volume(double radius_equat_minor, double radius_equat_major, double radius_polar) |
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[5d4777d] | 11 | { |
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[3a48772] | 12 | return M_4PI_3*radius_equat_minor*radius_equat_major*radius_polar; |
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[5d4777d] | 13 | } |
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| 14 | |
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[994d77f] | 15 | double Iq(double q, |
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| 16 | double sld, |
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[a807206] | 17 | double sld_solvent, |
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| 18 | double radius_equat_minor, |
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| 19 | double radius_equat_major, |
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| 20 | double radius_polar) |
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[5d4777d] | 21 | { |
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[68dd6a9] | 22 | const double pa = square(radius_equat_minor/radius_equat_major) - 1.0; |
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| 23 | const double pc = square(radius_polar/radius_equat_major) - 1.0; |
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| 24 | // translate a point in [-1,1] to a point in [0, pi/2] |
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| 25 | const double zm = M_PI_4; |
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| 26 | const double zb = M_PI_4; |
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[994d77f] | 27 | double outer = 0.0; |
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[5d4777d] | 28 | for (int i=0;i<76;i++) { |
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[68dd6a9] | 29 | //const double u = Gauss76Z[i]*(upper-lower)/2 + (upper + lower)/2; |
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| 30 | const double phi = Gauss76Z[i]*zm + zb; |
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| 31 | const double pa_sinsq_phi = pa*square(sin(phi)); |
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[5d4777d] | 32 | |
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[994d77f] | 33 | double inner = 0.0; |
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[68dd6a9] | 34 | const double um = 0.5; |
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| 35 | const double ub = 0.5; |
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[5d4777d] | 36 | for (int j=0;j<76;j++) { |
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[68dd6a9] | 37 | // translate a point in [-1,1] to a point in [0, 1] |
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| 38 | const double usq = square(Gauss76Z[j]*um + ub); |
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| 39 | const double r = radius_equat_major*sqrt(pa_sinsq_phi*(1.0-usq) + 1.0 + pc*usq); |
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| 40 | const double fq = sas_3j1x_x(q*r); |
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| 41 | inner += Gauss76Wt[j] * fq * fq; |
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[5d4777d] | 42 | } |
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[68dd6a9] | 43 | outer += Gauss76Wt[i] * inner; // correcting for dx later |
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[5d4777d] | 44 | } |
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[68dd6a9] | 45 | // translate integration ranges from [-1,1] to [lower,upper] and normalize by 4 pi |
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| 46 | const double fqsq = outer/4.0; // = outer*um*zm*8.0/(4.0*M_PI); |
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[a807206] | 47 | const double s = (sld - sld_solvent) * form_volume(radius_equat_minor, radius_equat_major, radius_polar); |
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[50e1e40] | 48 | return 1.0e-4 * s * s * fqsq; |
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[5d4777d] | 49 | } |
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| 50 | |
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[994d77f] | 51 | double Iqxy(double qx, double qy, |
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| 52 | double sld, |
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[a807206] | 53 | double sld_solvent, |
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| 54 | double radius_equat_minor, |
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| 55 | double radius_equat_major, |
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| 56 | double radius_polar, |
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[994d77f] | 57 | double theta, |
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| 58 | double phi, |
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| 59 | double psi) |
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[5d4777d] | 60 | { |
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[68dd6a9] | 61 | double q, xhat, yhat, zhat; |
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| 62 | ORIENT_ASYMMETRIC(qx, qy, theta, phi, psi, q, xhat, yhat, zhat); |
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[5d4777d] | 63 | |
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[68dd6a9] | 64 | const double r = sqrt(square(radius_equat_minor*xhat) |
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| 65 | + square(radius_equat_major*yhat) |
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| 66 | + square(radius_polar*zhat)); |
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| 67 | const double fq = sas_3j1x_x(q*r); |
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[a807206] | 68 | const double s = (sld - sld_solvent) * form_volume(radius_equat_minor, radius_equat_major, radius_polar); |
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[5d4777d] | 69 | |
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[50e1e40] | 70 | return 1.0e-4 * square(s * fq); |
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[5d4777d] | 71 | } |
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| 72 | |
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