source: sasview/src/sas/sascalc/calculator/c_extensions/sld2i.c @ c7634fd

/**
Computes the (magnetic) scattering form sld (n and m) profile
 */
#include <stdio.h>
#include <math.h>
#include "sld2i.h"
#include "libfunc.h"
#include "librefl.h"
/**
 * Constructor for GenI
 *
 * binning
 * //@param qx: array of Qx values
 * //@param qy: array of Qy values
 * //@param qz: array of Qz values
 * @param x: array of x values
 * @param y: array of y values
 * @param z: array of z values
 * @param sldn: array of sld n
 * @param mx: array of sld mx
 * @param my: array of sld my
 * @param mz: array of sld mz
 * @param in_spin: ratio of up spin in Iin
 * @param out_spin: ratio of up spin in Iout
 * @param s_theta: angle (from x-axis) of the up spin in degree
 */
void initGenI(GenI* this, int is_avg, int npix, double* x, double* y, double* z, double* sldn,
                        double* mx, double* my, double* mz, double* voli,
                        double in_spin, double out_spin,
                        double s_theta) {
        this->is_avg = is_avg;
        this->n_pix = npix;
        this->x_val = x;
        this->y_val = y;
        this->z_val = z;
        this->sldn_val = sldn;
        this->mx_val = mx;
        this->my_val = my;
        this->mz_val = mz;
        this->vol_pix = voli;
        this->inspin = in_spin;
        this->outspin = out_spin;
        this->stheta = s_theta;
}

/**
 * Compute 2D anisotropic
 */
void genicomXY(GenI* this, int npoints, double *qx, double *qy, double *I_out){
        //npoints is given negative for angular averaging
        // Assumes that q doesn't have qz component and sld_n is all real
        //double q = 0.0;
        //double Pi = 4.0*atan(1.0);
        polar_sld b_sld;
        double qr = 0.0;
        Cplx iqr;
        Cplx ephase;
        Cplx comp_sld;

        Cplx sumj_uu;
        Cplx sumj_ud;
        Cplx sumj_du;
        Cplx sumj_dd;
        Cplx temp_fi;

        double count = 0.0;
        int i, j;

        cassign(&iqr, 0.0, 0.0);
        cassign(&ephase, 0.0, 0.0);
        cassign(&comp_sld, 0.0, 0.0);

        //Assume that pixel volumes are given in vol_pix in A^3 unit
        //int x_size = 0; //in Ang
        //int y_size = 0; //in Ang
        //int z_size = 0; //in Ang

        // Loop over q-values and multiply apply matrix

        //printf("npoints: %d, npix: %d\n", npoints, this->n_pix);
        for(i=0; i<npoints; i++){
                //I_out[i] = 0.0;
                cassign(&sumj_uu, 0.0, 0.0);
                cassign(&sumj_ud, 0.0, 0.0);
                cassign(&sumj_du, 0.0, 0.0);
                cassign(&sumj_dd, 0.0, 0.0);
                //printf("i: %d\n", i);
                //q = sqrt(qx[i]*qx[i] + qy[i]*qy[i]); // + qz[i]*qz[i]);

                for(j=0; j<this->n_pix; j++){
                        if (this->sldn_val[j]!=0.0
                                ||this->mx_val[j]!=0.0
                                ||this->my_val[j]!=0.0
                                ||this->mz_val[j]!=0.0)
                        {
                            // printf("i,j: %d,%d\n", i,j);
                                //anisotropic
                                cassign(&temp_fi, 0.0, 0.0);
                                cal_msld(&b_sld, 0, qx[i], qy[i], this->sldn_val[j],
                                                         this->mx_val[j], this->my_val[j], this->mz_val[j],
                                                         this->inspin, this->outspin, this->stheta);
                                qr = (qx[i]*this->x_val[j] + qy[i]*this->y_val[j]);
                                cassign(&iqr, 0.0, qr);
                                cplx_exp(&ephase, iqr);

                                //Let's multiply pixel(atomic) volume here
                                rcmult(&ephase, this->vol_pix[j], ephase);
                                //up_up
                                if (this->inspin > 0.0 && this->outspin > 0.0){
                                        cassign(&comp_sld, b_sld.uu, 0.0);
                                        cplx_mult(&temp_fi, comp_sld, ephase);
                                        cplx_add(&sumj_uu, sumj_uu, temp_fi);
                                }
                                //down_down
                                if (this->inspin < 1.0 && this->outspin < 1.0){
                                        cassign(&comp_sld, b_sld.dd, 0.0);
                                        cplx_mult(&temp_fi, comp_sld, ephase);
                                        cplx_add(&sumj_dd, sumj_dd, temp_fi);
                                }
                                //up_down
                                if (this->inspin > 0.0 && this->outspin < 1.0){
                                        cassign(&comp_sld, b_sld.re_ud, b_sld.im_ud);
                                        cplx_mult(&temp_fi, comp_sld, ephase);
                                        cplx_add(&sumj_ud, sumj_ud, temp_fi);
                                }
                                //down_up
                                if (this->inspin < 1.0 && this->outspin > 0.0){
                                        cassign(&comp_sld, b_sld.re_du, b_sld.im_du);
                                        cplx_mult(&temp_fi, comp_sld, ephase);
                                        cplx_add(&sumj_du, sumj_du, temp_fi);
                                }

                                if (i == 0){
                                        count += this->vol_pix[j];
                                }
                        }
                }
                //printf("aa%d=%g %g %d\n", i, (sumj_uu.re*sumj_uu.re + sumj_uu.im*sumj_uu.im), (sumj_dd.re*sumj_dd.re + sumj_dd.im*sumj_dd.im), count);

                I_out[i] = (sumj_uu.re*sumj_uu.re + sumj_uu.im*sumj_uu.im);
                I_out[i] += (sumj_ud.re*sumj_ud.re + sumj_ud.im*sumj_ud.im);
                I_out[i] += (sumj_du.re*sumj_du.re + sumj_du.im*sumj_du.im);
                I_out[i] += (sumj_dd.re*sumj_dd.re + sumj_dd.im*sumj_dd.im);

                I_out[i] *= (1.0E+8 / count); //in cm (unit) / number; //to be multiplied by vol_pix
        }
        //printf("count = %d %g %g %g %g\n", count, this->sldn_val[0],this->mx_val[0], this->my_val[0], this->mz_val[0]);
}
/**
 * Compute 1D isotropic
 * Isotropic: Assumes all slds are real (no magnetic)
 * Also assumes there is no polarization: No dependency on spin
 */
void genicom(GenI* this, int npoints, double *q, double *I_out){
        //npoints is given negative for angular averaging
        // Assumes that q doesn't have qz component and sld_n is all real
        //double Pi = 4.0*atan(1.0);
        double qr = 0.0;
        double sumj;
        double sld_j = 0.0;
        double count = 0.0;
        int i, j, k;

        //Assume that pixel volumes are given in vol_pix in A^3 unit
        // Loop over q-values and multiply apply matrix
        for(i=0; i<npoints; i++){
                sumj =0.0;
                for(j=0; j<this->n_pix; j++){
                        //Isotropic: Assumes all slds are real (no magnetic)
                        //Also assumes there is no polarization: No dependency on spin
                        if (this->is_avg == 1){
                                // approximation for a spherical symmetric particle
                                qr = sqrt(this->x_val[j]*this->x_val[j]+this->y_val[j]*this->y_val[j]+this->z_val[j]*this->z_val[j])*q[i];
                                if (qr > 0.0){
                                        qr = sin(qr) / qr;
                                        sumj += this->sldn_val[j] * this->vol_pix[j] * qr;
                                }
                                else{
                                        sumj += this->sldn_val[j] * this->vol_pix[j];
                                }
                        }
                        else{
                                //full calculation
                                //pragma omp parallel for
                                for(k=0; k<this->n_pix; k++){
                                        sld_j =  this->sldn_val[j] * this->sldn_val[k] * this->vol_pix[j] * this->vol_pix[k];
                                        qr = (this->x_val[j]-this->x_val[k])*(this->x_val[j]-this->x_val[k])+
                                                      (this->y_val[j]-this->y_val[k])*(this->y_val[j]-this->y_val[k])+
                                                      (this->z_val[j]-this->z_val[k])*(this->z_val[j]-this->z_val[k]);
                                        qr = sqrt(qr) * q[i];
                                        if (qr > 0.0){
                                                sumj += sld_j*sin(qr)/qr;
                                        }
                                        else{
                                                sumj += sld_j;
                                        }
                                }
                        }
                        if (i == 0){
                                count += this->vol_pix[j];
                        }
                }
                I_out[i] = sumj;
                if (this->is_avg == 1) {
                        I_out[i] *= sumj;
                }
                I_out[i] *= (1.0E+8 / count); //in cm (unit) / number; //to be multiplied by vol_pix
        }
        //printf("count = %d %g %g %g %g\n", count, sldn_val[0],mx_val[0], my_val[0], mz_val[0]);
}