File: Shell_p.comp

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/*******************************************************************************
*
* McXtrace, x-ray tracing package
*         Copyright, All rights reserved
*         DTU Physics, Kgs. Lyngby, Denmark
*         Synchrotron SOLEIL, Saint-Aubin, France
*
* Component: Shell_p
*
* %Identification
*
* Written by: Erik B Knudsen and Desiree D. M. Ferreira
* Date: Feb. 2016
* Version: 1.0
* Release: McXtrace 1.2
* Origin: DTU Physics, DTU Space
*
* Single parabolic shell as part of a Wolter optic.
*
* %Description
* A single shell is simulated. The top and bottom are curved cylindrically
* azimuthally. The sagital profile is defined by a parabola, which passes through the radii raidus_m 
* at z=0, and radius_p at zentry (<0).
* 
* To intersect the Wolter I plates we take advatage of the azimuthal symmetry and only consider the radial component
* of the photon's wavevector.
*
* Imperfect mirrors may be modelled using one of 4 models. In all cases the surface normal of the mirror
* at the ideal mirror intersection point is perturbed before the exit vector is computed.
* 1. Longitudinal 1D. A perturbation angle is chosen from a uniform distribution with width waviness.
* 2. Isotropic 2D. The surface normal is perturbed by choosing an angle on a disc with radius waviness
* 3. Externally measured/computed data. We interpolate in a data-file consisting of blocks of dtheta/theta
*    with 1 block per energy. dtheta is a sampled angle offset from the nominal Fresnel grazing angle
*    theta.
* 4. Double gaussian. dtheta is chosen from one of two gaussian distributions. Either specular or off-specular, where the
* widths (sigmas) are given by the tables in the file "wave_file". If the off-specular case the behaviour is similar
* to 2D uniform case.
*
* In the case of 3, the format of the data file should be:
* #e_min=0.1
* #e_max=15
* #e_step=0.01
* #theta_min=0.01
* #theta_max=1.5
* #theta_step=0.01
* #dtheta_min=-0.02
* #dtheta_max=0.02
* #dtheta_step=0.001
* 1.0  0.9  0.8  0.75  ...
* 0.99 0.89 0.79 0.749 ...
* ...
*#block 2 (energy data point 2)
* 1.0  0.9  0.8  0.75  ...
* 0.99 0.89 0.79 0.749 ...
* ...
*
* I.e. one 2D data block per energy data point where rows represent the steps in nominal incident angle, and columns
* represent the sampled granularity of the off-specular scattering.
*
* Example: Shell_p( radius_p=0.535532, radius_m=0.533113, zdepth=0.5, Z0=12, yheight=1e-2, R_d=1)
* 
* %Parameters
* Input parameters:
* radius_m: [m]  Ring radius of the upper (reflecting) plate of the shell at the intersection with the hyperbolic section.
* radius_p: [m]  Ring radius of the upper (reflecting) plate of the shell at the edge furthest away from the focal point.
* yheight: [m] Height of the shell.
* chamferwidth: [m] Width of side walls.
* gap: [m] Gap between the plate and the intersection plane with the hyperbolic section. 
* Z0: [m] Distance between optics centre plane and focal spot (essentially focal length).
* mirror_reflec: [ ] Data file containing reflectivities of the reflector surface (TOP).
* bottom_reflec: [ ]  Data file containing reflectivities of the bottom surface (BOTTOM).
* R_d: [ ] Default reflectivity value to use if no reflectivity file is given. Useful f.i. is one surface is reflecting and the others absorbing.
* longw:    [ ] If non-zero, waviness is 1D and along the pore axis.
* wave_model: [ ] Flag to choose waviness model. 1. longitudinal uniform, 2. 2D-uniform, 3. lorentzian sagittal, 4. double gaussian sagittal. See above for details.
* waviness: [rad] Waviness of the pore reflecting surface. The slope error is assumed to be uniformly distributed in the interval "[-waviness:waviness]".
* verbose:  [ ]   If !=0 output extra info during simulation.
* %End
*******************************************************************************/

DEFINE COMPONENT Shell_p
SETTING PARAMETERS (radius_p, radius_m, Z0, yheight, chamferwidth=0, gap=0, zdepth=0, string mirror_reflec="", string bottom_reflec="", string wave_file="", R_d=1, int wave_model=0, waviness=0, int verbose=0)

SHARE
%{
%include "read_table-lib"
#ifndef MCSPO_INTERSECT_PARABOLOID
#define MCSPO_INTERSECT_PARABOLOID 1 
    int intersect_paraboloid(double *l0, double x, double y, double z, double kx, double ky, double kz, double Z0, double radius, double *nx, double *ny, double *nz){
        /* Intersection routine for a paraboloid as given by the paper by Vanspeybroeck and Chase (appl. optics. 1972)*/
        double alpha,thetap,thetah,P,d,e,C0;
        alpha=0.25*atan(radius/Z0);
        thetap=alpha;
        thetah=alpha*3;
        P=Z0*tan(4*alpha)*tan(thetap);
        d=Z0*tan(4*alpha)*tan(4*alpha-thetah);
        e=cos(4*alpha)*(1+tan(4*alpha)*tan(thetah));
        C0=4*e*e*P*d/(e*e-1);

        double kxn=kx,kyn=ky,kzn=kz;
        NORM(kxn,kyn,kzn);

        double A,B,C;
        A=kxn*kxn + kyn*kyn;
        B=2*(kxn*x + kyn*y+ P*kzn);
        C=x*x + y*y -P*P - 2*P*(Z0-z) - C0;
        int status;
        double l1;
        if ( (status=solve_2nd_order(l0,&l1,A,B,C))==0 ){
            /*note that if l1->NULL only the smallest positive solution is returned*/
            /*fprintf(stderr,"Shell_p: No solution %g %g %g   %g %g %g\n",x,y,z, kx,ky,kz);*/
            return status;
        }

        /*compute normal vector unless if asked for. I.e. unless null pointers.*/
        if (nx==NULL || ny==NULL || nz==NULL){
            return status;
        }
        x+=kxn* (*l0);
        y+=kyn* (*l0);
        z+=kzn* (*l0);

        double delta_y=-P*pow(P*P+2*P*(Z0-z)+C0,-0.5);
        double rp=sqrt(P*P + 2*P*(Z0-z) + C0);

        /* The tilt of the normal vector perpendicular to the optical axis
         * depends only on the displacement in x*/
        *nx=x/rp;
        *ny=y/rp;
        *nz = 0 - delta_y + 0;
        /* the minus sign since a negative slope in rp results in the normal tilting "forward" which
           corresponds to a positive sign in z*/
        NORM(*nx,*ny,*nz);
        return status;
    }
#endif

#ifndef MX_ASTROX_RANDLORENTZ
#define MX_ASTROX_RANDLORENTZ 1
    double randlorentz(double beta){
        double r=rand01();
        return beta*tan(M_PI*(r-0.5));
    }
#endif

struct w_prms_p_struct
{
  double e_min;
  double e_step;
  double e_max;
  double theta_min;
  double theta_step;
  double theta_max;
  double dtheta_min;
  double dtheta_step;
  double dtheta_max;
};

%}

DECLARE
%{
    struct w_prms_p_struct w_prms;
    double nExit[3];
    double wExit[3];
    double nEntry[3];
    double wEntry[3];
    double nTop[3];
    double nBottom[3];
    double E_min[2];
    double E_step[2];
    double E_max[2];
    double Theta_min[2];
    double Theta_step[2];
    double Theta_max[2];

    double zentry;

    t_Table reflec_top_table;
    t_Table reflec_bottom_table;
    t_Table wave_table[1024];
%}

INITIALIZE
%{
    /*read data from files into tables using read_table-lib*/
    char *filenames[2]={mirror_reflec,bottom_reflec};
    t_Table *ref_tables[2]={&reflec_top_table,&reflec_bottom_table};
    int i;

    /*read data from files into tables using read_table-lib*/
    for (i=0;i<2;i++){
        char *reflec=filenames[i];
        t_Table *tp=ref_tables[i];
        if (reflec && strlen(reflec)) {
            char **header_parsed;
            /* read 1st block data from file into tp */
            if (Table_Read(tp, reflec, 1) <= 0)
            {
                exit(fprintf(stderr,"Error(%s): can not read file %s\n",NAME_CURRENT_COMP, reflec));
            }
            header_parsed = Table_ParseHeader(tp->header,
                    "e_min=","e_max=","e_step=","theta_min=","theta_max=","theta_step=",NULL);
            if (header_parsed[0] && header_parsed[1] && header_parsed[2] &&
                    header_parsed[3] && header_parsed[4] && header_parsed[5])
            {
                E_min[i]=strtod(header_parsed[0],NULL);
                E_max[i]=strtod(header_parsed[1],NULL);
                E_step[i]=strtod(header_parsed[2],NULL);
                Theta_min[i]=strtod(header_parsed[3],NULL);
                Theta_max[i]=strtod(header_parsed[4],NULL);
                Theta_step[i]=strtod(header_parsed[5],NULL);
            } else {
                exit(fprintf(stderr,"Error (%s): wrong/missing header line(s) in file %s\n", NAME_CURRENT_COMP, reflec));
            }
            if (!((int)(E_max[i]-E_min[i]) == (int)((tp->rows-1)*E_step[i])))
            {
                exit(fprintf(stderr,"Error (%s): e_step does not match e_min and e_max in file %s\n",NAME_CURRENT_COMP, reflec));
            }
            if (!((int)(Theta_max[i]-Theta_min[i]) == (int)((tp->columns-1)*Theta_step[i])))
            {
                exit(fprintf(stderr,"Error (%s): theta_step does not match theta_min and theta_max in file %s\n",NAME_CURRENT_COMP, reflec));
            }
        }else{
            /*mark the table as unread by setting "rows" to -1
              This will trigger the default reflectivity.*/
            tp->rows=-1;
        }
    }

    /*read waviness table data if needed*/
    if (wave_model && wave_file && strlen(wave_file)){
        char **header_parsed;
        if(wave_model==3){
            int status=0;
            int block=1;
            status=Table_Read(&(wave_table[0]),wave_file,block);
            if (status<=0){
                exit(fprintf(stderr,"Error: %s: cannot read file %s\n",NAME_CURRENT_COMP,wave_file));
            }
            if (verbose){
              printf("INFO(%s): Read %d items from block %d in %s\n",NAME_CURRENT_COMP,status,block,wave_file);
            }
            block++;

            header_parsed = Table_ParseHeader(wave_table[0].header,
                    "e_min=","e_max=","e_step=","theta_min=","theta_max=","theta_step=","dtheta_min=","dtheta_max=","dtheta_step=",NULL);
            if (header_parsed[0] && header_parsed[1] && header_parsed[2] &&
                    header_parsed[3] && header_parsed[4] && header_parsed[5])
            {
                w_prms.e_min=strtod(header_parsed[0],NULL);
                w_prms.e_max=strtod(header_parsed[1],NULL);
                w_prms.e_step=strtod(header_parsed[2],NULL);
                w_prms.theta_min=strtod(header_parsed[3],NULL);
                w_prms.theta_max=strtod(header_parsed[4],NULL);
                w_prms.theta_step=strtod(header_parsed[5],NULL);
                w_prms.dtheta_min=strtod(header_parsed[6],NULL);
                w_prms.dtheta_max=strtod(header_parsed[7],NULL);
                w_prms.dtheta_step=strtod(header_parsed[8],NULL);
            } else {
                exit(fprintf(stderr,"Error: %s: wrong/missing header line(s) in file %s\n", NAME_CURRENT_COMP, wave_file));
            }
            int ec= (int)rint((w_prms.e_max-w_prms.e_min)/w_prms.e_step);
            if (!((int)(w_prms.theta_max-w_prms.theta_min) == (int)((wave_table[0].rows-1)*w_prms.theta_step)))
            {
                exit(fprintf(stderr,"Error: %s: theta_step does not match theta_min and theta_max in file %s\n",NAME_CURRENT_COMP, wave_file));
            }
            if (!((int)(w_prms.dtheta_max-w_prms.dtheta_min) == (int)((wave_table[0].columns-1)*w_prms.dtheta_step)))
            {
                exit(fprintf(stderr,"Error: %s: dtheta_step does not match dtheta_min and dtheta_max in file %s\n",NAME_CURRENT_COMP, wave_file));
            }

            /*read  the remaining data blocks*/
            while (block<=(ec+1)){
                if( (status=Table_Read(&(wave_table[block-1]),wave_file,block))<=0){
                    exit(fprintf(stderr,"Error: %s: cannot read %d data blocks - please check the energy steps in the header of %s\n",NAME_CURRENT_COMP, ec, wave_file));
                }
                if (verbose){
                  printf("INFO(%s): Read %d items from block %d\n",NAME_CURRENT_COMP,status,block);
                }
                block++;
            }
            if (verbose){
              printf("INFO(%s): Read %d blocks in %s corresponding to %d energies.\n",NAME_CURRENT_COMP,block-1,wave_file,ec);
            }

        }
    }


    /* compute some parameters for the parabolic or hyperbolic equations*/
    /* the z coordinate of the entry plane*/
    /*assuming the parameter xi==1*/
    double alpha,thetap,thetah,P,d,e,C0,Z;
    alpha=0.25*atan(radius_m/Z0);
    thetap=alpha;
    thetah=alpha*3;
    P=Z0*tan(4*alpha)*tan(thetap);
    d=Z0*tan(4*alpha)*tan(4*alpha-thetah);
    e=cos(4*alpha)*(1+tan(4*alpha)*tan(thetah));
    C0=4*e*e*P*d/(e*e-1);

    /*solve to get the z-coordinate of the entry plane, assuming radius_p to be bigger*/
    Z=(pow(radius_p,2.0) - pow(P,2.0)- C0 ) /(2*P);
    zentry=Z0-Z;

    nEntry[0]=0;
    nEntry[1]=0;
    nEntry[2]=-1;
    wEntry[0]=wEntry[1]=0;wEntry[2]=zentry;

    nExit[0]=0;
    nExit[1]=0;
    nExit[2]=1;
    wExit[0]=wExit[1]=wExit[2]=0;
%}

TRACE
%{
    enum {LEFT, RIGHT, TOP, BOTTOM, EXIT, NONE} wall;
    t_Table *reflec_table=NULL;
    int hit_shell, hit_chamfer;
    double R;

    /*Moving photon to z=-zentry. This odd way of writing this is to handle phase and time automatically.
      Note that zentry is z<0, hence the sign convention.*/
    z-=zentry;
    ALLOW_BACKPROP;
    PROP_Z0;
    z+=zentry;

    hit_shell= ( ( x*x + y*y < radius_p*radius_p ) && ( x*x + y*y >(radius_p-yheight)*(radius_p-yheight) ) ) ;
    hit_chamfer=0;
    if(hit_shell){
        SCATTER;
        int exit=0;
        int intersections[5]={0,0,0,0,0};
        int i_small;
        double l[5]={100000.0, 100000.0, 100000.0, 100000.0, 100000.0};
        double l_small;

        double nx,ny,nz;

        while (!exit){
            l_small=DBL_MAX;
            wall=NONE;
            double nx,ny,nz;
            double wx,wy,wz;
            int prm_idx;/*index indicating which table parameter set to choose*/

            intersections[EXIT]=plane_intersect(l+EXIT,x,y,z,kx,ky,kz,nExit[0],nExit[1],nExit[2],wExit[0],wExit[1],wExit[2]);
            if (intersections[EXIT] && l[EXIT]>DBL_EPSILON && l[EXIT]<l_small) {l_small=l[EXIT];i_small=intersections[EXIT];wall=EXIT;}
            /*top surface - the real reflecting surface*/
            intersections[TOP]=intersect_paraboloid((l+TOP),x,y,z,kx,ky,kz,Z0,radius_m,&(nTop[0]),&(nTop[1]),&(nTop[2]));
            if (intersections[TOP] && l[TOP]>DBL_EPSILON && l[TOP]<l_small) {l_small=l[TOP];i_small=intersections[TOP];wall=TOP;}
            /*bottom surface*/
            intersections[BOTTOM]=intersect_paraboloid((l+BOTTOM),x,y,z,kx,ky,kz,Z0,radius_m-yheight,&(nBottom[0]),&(nBottom[1]),&(nBottom[2]));
            if (intersections[BOTTOM] && l[BOTTOM]>DBL_EPSILON && l[BOTTOM]<l_small) {l_small=l[BOTTOM];i_small=intersections[BOTTOM];wall=BOTTOM;}

            /*find smallest positive intersection*/
            switch (wall){
                case TOP:
                    /*handle top wall reflection*/
                    reflec_table=&reflec_top_table;
                    nx=nTop[0];ny=nTop[1];nz=nTop[2];
                    prm_idx=0;
                    break;
                case BOTTOM:
                    /*handle bottom wall "reflection"*/
                    reflec_table=&reflec_bottom_table;
                    nx=nBottom[0];ny=nBottom[1];nz=nBottom[2];
                    prm_idx=1;
                    break;
                case EXIT:
                    /*photon will exit pore*/
                    exit=1;
                    break;
            }
            if(exit){
                continue;
            }
            PROP_DL(l_small);

            double kix=kx,kiy=ky,kiz=kz;
            double k=sqrt(kx*kx+ ky*ky + kz*kz);
            double e=K2E*k;
            double s=scalar_prod(kx,ky,kz,nx,ny,nz);
            double theta=RAD2DEG*(M_PI_2-acos(s/k)); /*pi_2 since theta is supposed to be the grazing angle*/

            /*if we have waviness alter the normal vector slightly*/
            if(wave_model!=0){
                enum {none=0, longw, iso, waviness_file, dblgauss,};
                double dtheta,tx,ty,tz;
                switch (wave_model){
                /*assuming theta to be small we might disregard atan*/
                    case longw:
                        {
                            double dtheta;
                            if(theta<waviness){
                                dtheta=rand01()*(theta+waviness)-theta;
                            }else{
                                dtheta=randpm1()*waviness;
                            }
                            double tx,ty,tz;
                            vec_prod(tx,ty,tz,0,0,1,nx,ny,nz);
                            rotate(nx,ny,nz, nx,ny,nz, dtheta, tx,ty,tz);
                            break;
                        }
                    case iso:
                        {
                            /*waviness is also transversal but isotropic*/
                            double radius;
                            if(theta<waviness){
                                radius=atan(waviness);
                                randvec_target_circle(&nx,&ny,&nz,NULL,nx,ny,nx,radius);
                            }else{
                                radius=(atan(theta)+atan(waviness))/2.0;
                                randvec_target_circle(&nx,&ny,&nz,NULL,nx,ny,nx+radius-atan(theta),radius);
                            }
                            NORM(nx,ny,nz);
                            break;
                        }
                    case waviness_file:
                        {
                            /*waviness is defined by a distribution read from a 2D file energy/angle (similar to reflectivity)*/
                            /*sample an angle in the supported interval of the file - assuming it to be normalized properly, and then
                              weight according to the distribution found in the file - interpolating in 2D*/
                            double dthetac,ec,thetac,dtheta;
                            double pp,p1,p2,alpha,beta;
                            int iter;

                            ec=(e-w_prms.e_min)/w_prms.e_step;
                            thetac=(theta-w_prms.theta_min)/w_prms.theta_step;

                            /*do some clever rejection sampling here - otherwise we get no intensity at all*/
                            pp=0;iter=0;
                            while (!pp){
                                double Y,U,Z;
                                Y=-log(rand01());
                                if(rand01()<0.5){
                                    Z=-Y*w_prms.dtheta_max/1.0;//wave_table[0].max_x;
                                }else{
                                    Z=Y*w_prms.dtheta_max/1.0;//wave_table[0].max_x;
                                }
                                dthetac=(Z-w_prms.dtheta_min)/w_prms.dtheta_step;
                                p1=Table_Value2d( wave_table[(int) floor(ec)], thetac, dthetac);
                                p2=Table_Value2d( wave_table[(int) ceil(ec)], thetac, dthetac);
                                alpha=modf(ec,&beta);
                                pp=alpha*p2 + (1-alpha)*p1;

                                U=rand01();
                                if (U>pp/(exp(-Y))){
                                    /*reject value*/
                                    pp=0;
                                }
                                iter++;
                                dtheta=Z;
                            }
                            vec_prod(tx,ty,tz,0,0,1,nx,ny,nz);
                            rotate(nx,ny,nz, nx,ny,nz, dtheta, tx,ty,tz);
                            break;
                        }
                    case dblgauss:
                        {
                            /*need 2 sigmas and a relative strength \in[0,1] - read those prms from a tabled file*/
                            double sigma;
                            const double strength=0.5;
                            void *tptr;
                            if(rand01()<strength){/*use dist 1*/
                                tptr=wave_table;
                            }else{
                                tptr=wave_table+1;
                            }
                            sigma=Table_Value2d( *((t_Table *)tptr), (e-w_prms.e_min)/w_prms.e_step,(theta-w_prms.theta_min)/w_prms.theta_step);
                            dtheta=randnorm()*sigma;
                            vec_prod(tx,ty,tz,0,0,1,nx,ny,nz);
                            rotate(nx,ny,nz, nx,ny,nz, dtheta, tx,ty,tz);
                            break;
                        }
                }
                /*recompute theta*/
                theta=RAD2DEG*0.5*acos(scalar_prod(kx,ky,kz,kix,kiy,kiz)/k/k);
            }
            /*reflect the photon through the surface normal*/
            if(s!=0){
                kx-=2*s*nx;
                ky-=2*s*ny;
                kz-=2*s*nz;
            }
            SCATTER;
            if(reflec_table==NULL || reflec_table->rows==-1){
                R=R_d;
            }else{
                R=Table_Value2d(*reflec_table,(e-E_min[prm_idx])/E_step[prm_idx], (theta-Theta_min[prm_idx])/Theta_step[prm_idx]);
            }
            p*=R;
        }
    }else if (hit_chamfer){
        ABSORB;
    }else{
        /*no hit*/
        ABSORB;
    }
%}

MCDISPLAY
%{
    double z0,z1,dz,l0,l1;
    const int N=16;
    int i,j,k;

    circle("xy",0,0,zentry,radius_p);
    circle("xy",0,0,zentry,radius_p-yheight);

    circle("xy",0,0,0,radius_m);
    circle("xy",0,0,0,radius_m-yheight);

    /*draw parabola*/
    dz=fabs(zentry)/(N-1);
    z0=zentry;
    z1=z0+dz;
    for (i=0;i<N-1;i++){
      j=intersect_paraboloid(&l0,0,0,z0,1,0,0,Z0,radius_m,NULL,NULL,NULL);
      k=intersect_paraboloid(&l1,0,0,z1,1,0,0,Z0,radius_m,NULL,NULL,NULL);
      if(k && j){
        line(l0,0,z0,l1,0,z1);
        line(0,l0,z0,0,l1,z1);
        line(-l0,0,z0,-l1,0,z1);
        line(0,-l0,z0,0,-l1,z1);
      }
      j=intersect_paraboloid(&l0,0,0,z0,1,0,0,Z0,radius_m-yheight,NULL,NULL,NULL);
      k=intersect_paraboloid(&l1,0,0,z1,1,0,0,Z0,radius_m-yheight,NULL,NULL,NULL);
      if(k && j){
        line(l0,0,z0,l1,0,z1);
        line(0,l0,z0,0,l1,z1);
        line(-l0,0,z0,-l1,0,z1);
        line(0,-l0,z0,0,-l1,z1);
      }
      z0+=dz;
      z1+=dz;
    }

%}

END