// Converted from Igor function gfn4, using the same pattern as ellipsoid // for evaluating the parts of the integral. // FUNCTION gfn4: CONTAINS F(Q,A,B,MU)**2 AS GIVEN // BY (53) & (58-59) IN CHEN AND // KOTLARCHYK REFERENCE // // static double _cs_ellipsoid_kernel(double qab, double qc, double equat_core, double polar_core, double equat_shell, double polar_shell, double sld_core_shell, double sld_shell_solvent) { const double qr_core = sqrt(square(equat_core*qab) + square(polar_core*qc)); const double si_core = sas_3j1x_x(qr_core); const double volume_core = M_4PI_3*equat_core*equat_core*polar_core; const double fq_core = si_core*volume_core*sld_core_shell; const double qr_shell = sqrt(square(equat_shell*qab) + square(polar_shell*qc)); const double si_shell = sas_3j1x_x(qr_shell); const double volume_shell = M_4PI_3*equat_shell*equat_shell*polar_shell; const double fq_shell = si_shell*volume_shell*sld_shell_solvent; return fq_core + fq_shell; } static double form_volume(double radius_equat_core, double x_core, double thick_shell, double x_polar_shell) { const double equat_shell = radius_equat_core + thick_shell; const double polar_shell = radius_equat_core*x_core + thick_shell*x_polar_shell; double vol = M_4PI_3*equat_shell*equat_shell*polar_shell; return vol; } static double Iq(double q, double radius_equat_core, double x_core, double thick_shell, double x_polar_shell, double core_sld, double shell_sld, double solvent_sld) { const double sld_core_shell = core_sld - shell_sld; const double sld_shell_solvent = shell_sld - solvent_sld; const double polar_core = radius_equat_core*x_core; const double equat_shell = radius_equat_core + thick_shell; const double polar_shell = radius_equat_core*x_core + thick_shell*x_polar_shell; // translate from [-1, 1] => [0, 1] const double m = 0.5; const double b = 0.5; double total = 0.0; //initialize intergral for(int i=0;i<76;i++) { const double cos_theta = Gauss76Z[i]*m + b; const double sin_theta = sqrt(1.0 - cos_theta*cos_theta); double fq = _cs_ellipsoid_kernel(q*sin_theta, q*cos_theta, radius_equat_core, polar_core, equat_shell, polar_shell, sld_core_shell, sld_shell_solvent); total += Gauss76Wt[i] * fq * fq; } total *= m; // convert to [cm-1] return 1.0e-4 * total; } static double Iqxy(double qab, double qc, double radius_equat_core, double x_core, double thick_shell, double x_polar_shell, double core_sld, double shell_sld, double solvent_sld) { const double sld_core_shell = core_sld - shell_sld; const double sld_shell_solvent = shell_sld - solvent_sld; const double polar_core = radius_equat_core*x_core; const double equat_shell = radius_equat_core + thick_shell; const double polar_shell = radius_equat_core*x_core + thick_shell*x_polar_shell; double fq = _cs_ellipsoid_kernel(qab, qc, radius_equat_core, polar_core, equat_shell, polar_shell, sld_core_shell, sld_shell_solvent); //convert to [cm-1] return 1.0e-4 * fq * fq; }