[03cac08] | 1 | #define INVALID(v) (v.radius<0 || v.length<0) |
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| 2 | |
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[2a0b2b1] | 3 | static double |
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| 4 | form_volume(double radius, double length) |
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[14de349] | 5 | { |
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| 6 | return M_PI*radius*radius*length; |
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| 7 | } |
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| 8 | |
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[2a0b2b1] | 9 | static double |
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[71b751d] | 10 | _fq(double qab, double qc, double radius, double length) |
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[14de349] | 11 | { |
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[2a0b2b1] | 12 | return sas_2J1x_x(qab*radius) * sas_sinx_x(qc*0.5*length); |
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[0d6e865] | 13 | } |
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[50e1e40] | 14 | |
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[d277229] | 15 | static double |
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| 16 | radius_from_volume(double radius, double length) |
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| 17 | { |
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| 18 | return cbrt(0.75*radius*radius*length); |
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| 19 | } |
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| 20 | |
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| 21 | static double |
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| 22 | radius_from_diagonal(double radius, double length) |
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| 23 | { |
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| 24 | return sqrt(radius*radius + 0.25*length*length); |
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| 25 | } |
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| 26 | |
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| 27 | static double |
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| 28 | effective_radius(int mode, double radius, double length) |
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| 29 | { |
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| 30 | if (mode == 1) { |
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| 31 | return radius_from_volume(radius, length); |
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| 32 | } else if (mode == 2) { |
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| 33 | return radius; |
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| 34 | } else if (mode == 3) { |
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| 35 | return 0.5*length; |
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| 36 | } else if (mode == 4) { |
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| 37 | return (radius < 0.5*length ? radius : 0.5*length); |
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| 38 | } else if (mode == 5) { |
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| 39 | return (radius > 0.5*length ? radius : 0.5*length); |
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| 40 | } else { |
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| 41 | return radius_from_diagonal(radius,length); |
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| 42 | } |
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| 43 | } |
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| 44 | |
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[71b751d] | 45 | static void |
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| 46 | Fq(double q, |
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| 47 | double *F1, |
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| 48 | double *F2, |
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| 49 | double sld, |
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| 50 | double solvent_sld, |
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| 51 | double radius, |
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| 52 | double length) |
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[0d6e865] | 53 | { |
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[50e1e40] | 54 | // translate a point in [-1,1] to a point in [0, pi/2] |
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| 55 | const double zm = M_PI_4; |
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[2a0b2b1] | 56 | const double zb = M_PI_4; |
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[50e1e40] | 57 | |
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[71b751d] | 58 | double total_F1 = 0.0; |
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| 59 | double total_F2 = 0.0; |
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[74768cb] | 60 | for (int i=0; i<GAUSS_N ;i++) { |
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| 61 | const double theta = GAUSS_Z[i]*zm + zb; |
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[2a0b2b1] | 62 | double sin_theta, cos_theta; // slots to hold sincos function output |
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| 63 | // theta (theta,phi) the projection of the cylinder on the detector plane |
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| 64 | SINCOS(theta , sin_theta, cos_theta); |
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[71b751d] | 65 | const double form = _fq(q*sin_theta, q*cos_theta, radius, length); |
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| 66 | total_F1 += GAUSS_W[i] * form * sin_theta; |
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| 67 | total_F2 += GAUSS_W[i] * form * form * sin_theta; |
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[14de349] | 68 | } |
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[ff7119b] | 69 | // translate dx in [-1,1] to dx in [lower,upper] |
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[71b751d] | 70 | total_F1 *= zm; |
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| 71 | total_F2 *= zm; |
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[50e1e40] | 72 | const double s = (sld - solvent_sld) * form_volume(radius, length); |
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[71b751d] | 73 | *F1 = 1e-2 * s * total_F1; |
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| 74 | *F2 = 1e-4 * s * s * total_F2; |
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[14de349] | 75 | } |
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| 76 | |
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[71b751d] | 77 | |
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| 78 | |
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[2a0b2b1] | 79 | static double |
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[108e70e] | 80 | Iqac(double qab, double qc, |
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[994d77f] | 81 | double sld, |
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| 82 | double solvent_sld, |
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| 83 | double radius, |
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[becded3] | 84 | double length) |
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[14de349] | 85 | { |
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[71b751d] | 86 | const double form = _fq(qab, qc, radius, length); |
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[50e1e40] | 87 | const double s = (sld-solvent_sld) * form_volume(radius, length); |
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[73e08ae] | 88 | return 1.0e-4 * square(s * form); |
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[14de349] | 89 | } |
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[71b751d] | 90 | |
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