[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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[99658f6] | 16 | radius_from_excluded_volume(double radius, double length) |
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| 17 | { |
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| 18 | return 0.5*cbrt(0.75*radius*(2.0*radius*length + (radius + length)*(M_PI*radius + length))); |
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| 19 | } |
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| 20 | |
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| 21 | static double |
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[d277229] | 22 | radius_from_volume(double radius, double length) |
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| 23 | { |
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[6d5601c] | 24 | return cbrt(M_PI*radius*radius*length/M_4PI_3); |
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[d277229] | 25 | } |
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| 26 | |
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| 27 | static double |
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| 28 | radius_from_diagonal(double radius, double length) |
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| 29 | { |
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| 30 | return sqrt(radius*radius + 0.25*length*length); |
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| 31 | } |
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| 32 | |
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| 33 | static double |
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| 34 | effective_radius(int mode, double radius, double length) |
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| 35 | { |
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[ee60aa7] | 36 | switch (mode) { |
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[d42dd4a] | 37 | default: |
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[ee60aa7] | 38 | case 1: |
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[99658f6] | 39 | return radius_from_excluded_volume(radius, length); |
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[ee60aa7] | 40 | case 2: |
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[99658f6] | 41 | return radius_from_volume(radius, length); |
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[ee60aa7] | 42 | case 3: |
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[99658f6] | 43 | return radius; |
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[ee60aa7] | 44 | case 4: |
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[99658f6] | 45 | return 0.5*length; |
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[ee60aa7] | 46 | case 5: |
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[99658f6] | 47 | return (radius < 0.5*length ? radius : 0.5*length); |
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[ee60aa7] | 48 | case 6: |
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[99658f6] | 49 | return (radius > 0.5*length ? radius : 0.5*length); |
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| 50 | case 7: |
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[d277229] | 51 | return radius_from_diagonal(radius,length); |
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| 52 | } |
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| 53 | } |
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| 54 | |
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[71b751d] | 55 | static void |
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| 56 | Fq(double q, |
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| 57 | double *F1, |
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| 58 | double *F2, |
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| 59 | double sld, |
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| 60 | double solvent_sld, |
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| 61 | double radius, |
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| 62 | double length) |
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[0d6e865] | 63 | { |
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[50e1e40] | 64 | // translate a point in [-1,1] to a point in [0, pi/2] |
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| 65 | const double zm = M_PI_4; |
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[2a0b2b1] | 66 | const double zb = M_PI_4; |
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[50e1e40] | 67 | |
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[71b751d] | 68 | double total_F1 = 0.0; |
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| 69 | double total_F2 = 0.0; |
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[74768cb] | 70 | for (int i=0; i<GAUSS_N ;i++) { |
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| 71 | const double theta = GAUSS_Z[i]*zm + zb; |
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[2a0b2b1] | 72 | double sin_theta, cos_theta; // slots to hold sincos function output |
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| 73 | // theta (theta,phi) the projection of the cylinder on the detector plane |
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| 74 | SINCOS(theta , sin_theta, cos_theta); |
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[71b751d] | 75 | const double form = _fq(q*sin_theta, q*cos_theta, radius, length); |
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| 76 | total_F1 += GAUSS_W[i] * form * sin_theta; |
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| 77 | total_F2 += GAUSS_W[i] * form * form * sin_theta; |
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[14de349] | 78 | } |
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[ff7119b] | 79 | // translate dx in [-1,1] to dx in [lower,upper] |
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[71b751d] | 80 | total_F1 *= zm; |
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| 81 | total_F2 *= zm; |
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[50e1e40] | 82 | const double s = (sld - solvent_sld) * form_volume(radius, length); |
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[71b751d] | 83 | *F1 = 1e-2 * s * total_F1; |
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| 84 | *F2 = 1e-4 * s * s * total_F2; |
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[14de349] | 85 | } |
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| 86 | |
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[71b751d] | 87 | |
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| 88 | |
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[2a0b2b1] | 89 | static double |
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[108e70e] | 90 | Iqac(double qab, double qc, |
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[994d77f] | 91 | double sld, |
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| 92 | double solvent_sld, |
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| 93 | double radius, |
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[becded3] | 94 | double length) |
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[14de349] | 95 | { |
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[71b751d] | 96 | const double form = _fq(qab, qc, radius, length); |
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[50e1e40] | 97 | const double s = (sld-solvent_sld) * form_volume(radius, length); |
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[73e08ae] | 98 | return 1.0e-4 * square(s * form); |
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[14de349] | 99 | } |
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[71b751d] | 100 | |
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