/** * Scattering model for a stacked disk * TODO: Add 2D analysis */ #include "stacked_disks.h" #include #include "libCylinder.h" #include #include /** * Function to evaluate 1D scattering function * @param pars: parameters of the staked disks * @param q: q-value * @return: function value */ double stacked_disks_analytical_1D(StackedDisksParameters *pars, double q) { double dp[10]; // Fill paramater array dp[0] = pars->scale; dp[1] = pars->radius; dp[2] = pars->core_thick; dp[3] = pars->layer_thick; dp[4] = pars->core_sld; dp[5] = pars->layer_sld; dp[6] = pars->solvent_sld; dp[7] = pars->n_stacking; dp[8] = pars->sigma_d; dp[9] = pars->background; // Call library function to evaluate model return StackedDiscs(dp, q); } /** * Function to evaluate 2D scattering function * @param pars: parameters of the staked disks * @param q: q-value * @return: function value */ double stacked_disks_analytical_2DXY(StackedDisksParameters *pars, double qx, double qy) { double q; q = sqrt(qx*qx+qy*qy); return stacked_disks_analytical_2D_scaled(pars, q, qx/q, qy/q); } /** * Function to evaluate 2D scattering function * @param pars: parameters of the staked disks * @param q: q-value * @param phi: angle phi * @return: function value */ double stacked_disks_analytical_2D(StackedDisksParameters *pars, double q, double phi) { return stacked_disks_analytical_2D_scaled(pars, q, cos(phi), sin(phi)); } /** * Function to evaluate 2D scattering function * @param pars: parameters of the staked disks * @param q: q-value * @param q_x: q_x / q * @param q_y: q_y / q * @return: function value */ double stacked_disks_analytical_2D_scaled(StackedDisksParameters *pars, double q, double q_x, double q_y) { double cyl_x, cyl_y, cyl_z; double q_z; double alpha, vol, cos_val; double d, dum, halfheight; double answer; // parallelepiped orientation cyl_x = sin(pars->axis_theta) * cos(pars->axis_phi); cyl_y = sin(pars->axis_theta) * sin(pars->axis_phi); cyl_z = cos(pars->axis_theta); // q vector q_z = 0; // Compute the angle btw vector q and the // axis of the parallelepiped cos_val = cyl_x*q_x + cyl_y*q_y + cyl_z*q_z; // The following test should always pass if (fabs(cos_val)>1.0) { printf("parallel_ana_2D: Unexpected error: cos(alpha)>1\n"); return 0; } // Note: cos(alpha) = 0 and 1 will get an // undefined value from Stackdisc_kern alpha = acos( cos_val ); // Call the IGOR library function to get the kernel d = 2 * pars->layer_thick + pars->core_thick; halfheight = pars->core_thick/2.0; dum =alpha ; answer = Stackdisc_kern(q, pars->radius, pars->core_sld,pars->layer_sld, pars->solvent_sld, halfheight, pars->layer_thick, dum, pars->sigma_d, d, pars->n_stacking)/sin(alpha); // Multiply by contrast^2 //answer *= pars->contrast*pars->contrast; //normalize by staked disks volume vol = acos(-1.0) * pars->radius * pars->radius * d * pars->n_stacking; answer /= vol; //convert to [cm-1] answer *= 1.0e8; //Scale answer *= pars->scale; // add in the background answer += pars->background; return answer; }