[994d77f] | 1 | double form_volume(double radius, double length); |
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| 2 | double Iq(double q, double sld, double solvent_sld, double radius, double length); |
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| 3 | double Iqxy(double qx, double qy, double sld, double solvent_sld, |
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| 4 | double radius, double length, double theta, double phi); |
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[5d4777d] | 5 | |
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[994d77f] | 6 | double form_volume(double radius, double length) |
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[14de349] | 7 | { |
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| 8 | return M_PI*radius*radius*length; |
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| 9 | } |
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| 10 | |
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[994d77f] | 11 | double Iq(double q, |
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| 12 | double sld, |
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| 13 | double solvent_sld, |
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| 14 | double radius, |
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| 15 | double length) |
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[14de349] | 16 | { |
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[50e1e40] | 17 | // TODO: return NaN if radius<0 or length<0? |
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| 18 | // precompute qr and qh to save time in the loop |
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[994d77f] | 19 | const double qr = q*radius; |
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| 20 | const double qh = q*0.5*length; |
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[50e1e40] | 21 | |
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| 22 | // translate a point in [-1,1] to a point in [0, pi/2] |
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| 23 | const double zm = M_PI_4; |
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| 24 | const double zb = M_PI_4; |
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| 25 | |
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[994d77f] | 26 | double total = 0.0; |
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[14de349] | 27 | for (int i=0; i<76 ;i++) { |
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[50e1e40] | 28 | const double alpha = Gauss76Z[i]*zm + zb; |
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[994d77f] | 29 | double sn, cn; |
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[5d4777d] | 30 | SINCOS(alpha, sn, cn); |
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[50e1e40] | 31 | const double fq = sinc(qh*cn) * J1c(qr*sn); |
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| 32 | total += Gauss76Wt[i] * fq*fq * sn; |
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[14de349] | 33 | } |
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[ff7119b] | 34 | // translate dx in [-1,1] to dx in [lower,upper] |
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[50e1e40] | 35 | const double form = total*zm; |
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| 36 | const double s = (sld - solvent_sld) * form_volume(radius, length); |
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| 37 | return 1.0e-4 * s * s * form; |
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[14de349] | 38 | } |
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| 39 | |
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| 40 | |
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[994d77f] | 41 | double Iqxy(double qx, double qy, |
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| 42 | double sld, |
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| 43 | double solvent_sld, |
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| 44 | double radius, |
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| 45 | double length, |
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| 46 | double theta, |
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| 47 | double phi) |
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[14de349] | 48 | { |
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[50e1e40] | 49 | // TODO: return NaN if radius<0 or length<0? |
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[994d77f] | 50 | double sn, cn; // slots to hold sincos function output |
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[14de349] | 51 | |
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| 52 | // Compute angle alpha between q and the cylinder axis |
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| 53 | SINCOS(theta*M_PI_180, sn, cn); |
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[50e1e40] | 54 | const double q = sqrt(qx*qx + qy*qy); |
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[ef2861b] | 55 | const double cos_val = (q==0. ? 1.0 : (cn*cos(phi*M_PI_180)*qx + sn*qy)/q); |
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[994d77f] | 56 | const double alpha = acos(cos_val); |
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[14de349] | 57 | |
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[50e1e40] | 58 | SINCOS(alpha, sn, cn); |
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| 59 | const double fq = sinc(q*0.5*length*cn) * J1c(q*radius*sn); |
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| 60 | const double s = (sld-solvent_sld) * form_volume(radius, length); |
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| 61 | return 1.0e-4 * square(s * fq); |
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[14de349] | 62 | } |
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