[aea2e2a] | 1 | double form_volume(double radius, double thickness, double length); |
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| 2 | double Iq(double q, double radius, double thickness, double length, double sld, |
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[2a0b2b1] | 3 | double solvent_sld); |
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[aea2e2a] | 4 | double Iqxy(double qx, double qy, double radius, double thickness, double length, double sld, |
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[2a0b2b1] | 5 | double solvent_sld, double theta, double phi); |
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[aea2e2a] | 6 | |
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| 7 | //#define INVALID(v) (v.radius_core >= v.radius) |
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| 8 | |
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| 9 | // From Igor library |
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[5bddd89] | 10 | static double |
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| 11 | _hollow_cylinder_scaling(double integrand, double delrho, double volume) |
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[aea2e2a] | 12 | { |
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[ed23abe] | 13 | return 1.0e-4 * square(volume * delrho) * integrand; |
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[aea2e2a] | 14 | } |
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| 15 | |
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[5bddd89] | 16 | static double |
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[2a0b2b1] | 17 | _fq(double qab, double qc, |
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| 18 | double radius, double thickness, double length) |
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[aea2e2a] | 19 | { |
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[2a0b2b1] | 20 | const double lam1 = sas_2J1x_x((radius+thickness)*qab); |
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| 21 | const double lam2 = sas_2J1x_x(radius*qab); |
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[aea2e2a] | 22 | const double gamma_sq = square(radius/(radius+thickness)); |
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[2a0b2b1] | 23 | //Note: lim_{thickness -> 0} psi = sas_J0(radius*qab) |
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| 24 | //Note: lim_{radius -> 0} psi = sas_2J1x_x(thickness*qab) |
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| 25 | const double psi = (lam1 - gamma_sq*lam2)/(1.0 - gamma_sq); //SRK 10/19/00 |
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| 26 | const double t2 = sas_sinx_x(0.5*length*qc); |
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[5bddd89] | 27 | return psi*t2; |
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[aea2e2a] | 28 | } |
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| 29 | |
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[5bddd89] | 30 | double |
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| 31 | form_volume(double radius, double thickness, double length) |
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[aea2e2a] | 32 | { |
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[ed23abe] | 33 | double v_shell = M_PI*length*(square(radius+thickness) - radius*radius); |
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| 34 | return v_shell; |
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[aea2e2a] | 35 | } |
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| 36 | |
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| 37 | |
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[5bddd89] | 38 | double |
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| 39 | Iq(double q, double radius, double thickness, double length, |
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[aea2e2a] | 40 | double sld, double solvent_sld) |
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| 41 | { |
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[5bddd89] | 42 | const double lower = 0.0; |
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[2a0b2b1] | 43 | const double upper = 1.0; //limits of numerical integral |
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[5bddd89] | 44 | |
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[2a0b2b1] | 45 | double summ = 0.0; //initialize intergral |
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[5bddd89] | 46 | for (int i=0;i<76;i++) { |
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[2a0b2b1] | 47 | const double cos_theta = 0.5*( Gauss76Z[i] * (upper-lower) + lower + upper ); |
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| 48 | const double sin_theta = sqrt(1.0 - cos_theta*cos_theta); |
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| 49 | const double form = _fq(q*sin_theta, q*cos_theta, |
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| 50 | radius, thickness, length); |
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| 51 | summ += Gauss76Wt[i] * form * form; |
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[aea2e2a] | 52 | } |
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| 53 | |
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[5bddd89] | 54 | const double Aq = 0.5*summ*(upper-lower); |
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| 55 | const double volume = form_volume(radius, thickness, length); |
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| 56 | return _hollow_cylinder_scaling(Aq, solvent_sld - sld, volume); |
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| 57 | } |
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[aea2e2a] | 58 | |
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[5bddd89] | 59 | double |
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| 60 | Iqxy(double qx, double qy, |
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| 61 | double radius, double thickness, double length, |
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| 62 | double sld, double solvent_sld, double theta, double phi) |
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| 63 | { |
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| 64 | double q, sin_alpha, cos_alpha; |
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| 65 | ORIENT_SYMMETRIC(qx, qy, theta, phi, q, sin_alpha, cos_alpha); |
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[2a0b2b1] | 66 | const double qab = q*sin_alpha; |
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| 67 | const double qc = q*cos_alpha; |
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| 68 | |
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| 69 | const double form = _fq(qab, qc, radius, thickness, length); |
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[5bddd89] | 70 | |
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| 71 | const double vol = form_volume(radius, thickness, length); |
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[2a0b2b1] | 72 | return _hollow_cylinder_scaling(form*form, solvent_sld-sld, vol); |
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[aea2e2a] | 73 | } |
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