/*******************************************************************************
*
* McStas, neutron ray-tracing package
*         Copyright (C) 1997-2008, All rights reserved
*         Risoe National Laboratory, Roskilde, Denmark
*         Institut Laue Langevin, Grenoble, France
*
* Component: SasView_hardsphere
*
* %Identification
* Written by: Jose Robledo
* Based on sasmodels from SasView
* Origin: FZJ / DTU / ESS DMSC
*
*
* SasView hardsphere model component as sample description.
*
* %Description
*
* SasView_hardsphere component, generated from hardsphere.c in sasmodels.
*
* Example: 
*  SasView_hardsphere(radius_effective, volfraction, 
*     model_scale=1.0, model_abs=0.0, xwidth=0.01, yheight=0.01, zdepth=0.005, R=0, 
*     int target_index=1, target_x=0, target_y=0, target_z=1,
*     focus_xw=0.5, focus_yh=0.5, focus_aw=0, focus_ah=0, focus_r=0, 
*     pd_radius_effective=0.0)
*
* %Parameters
* INPUT PARAMETERS:
* radius_effective: [Ang] ([0, inf]) effective radius of hard sphere.
* volfraction: [] ([0, 0.74]) volume fraction of hard spheres.
* Optional parameters:
* model_abs: [ ] Absorption cross section density at 2200 m/s.
* model_scale: [ ] Global scale factor for scattering kernel. For systems without inter-particle interference, the form factors can be related to the scattering intensity by the particle volume fraction.
* xwidth: [m] ([-inf, inf]) Horiz. dimension of sample, as a width.
* yheight: [m] ([-inf, inf]) vert . dimension of sample, as a height for cylinder/box
* zdepth: [m] ([-inf, inf]) depth of sample
* R: [m] Outer radius of sample in (x,z) plane for cylinder/sphere.
* target_x: [m] relative focus target position.
* target_y: [m] relative focus target position.
* target_z: [m] relative focus target position.
* target_index: [ ] Relative index of component to focus at, e.g. next is +1.
* focus_xw: [m] horiz. dimension of a rectangular area.
* focus_yh: [m], vert. dimension of a rectangular area.
* focus_aw: [deg], horiz. angular dimension of a rectangular area.
* focus_ah: [deg], vert. angular dimension of a rectangular area.
* focus_r: [m] case of circular focusing, focusing radius.
* pd_radius_effective: [] (0,inf) defined as (dx/x), where x is de mean value and dx the standard devition of the variable
*
* %Link
* %End
*******************************************************************************/
DEFINE COMPONENT SasView_hardsphere

SETTING PARAMETERS (
        radius_effective=50.0,
        volfraction=0.2,
        model_scale=1.0,
        model_abs=0.0,
        xwidth=0.01,
        yheight=0.01,
        zdepth=0.005,
        R=0,
        target_x=0,
        target_y=0,
        target_z=1,
        int target_index=1,
        focus_xw=0.5,
        focus_yh=0.5,
        focus_aw=0,
        focus_ah=0,
        focus_r=0,
        pd_radius_effective=0.0)


SHARE %{
%include "sas_kernel_header.c"

/* BEGIN Required header for SASmodel hardsphere */
#define HAS_Iq

#ifndef SAS_HAVE_hardsphere
#define SAS_HAVE_hardsphere

#line 1 "hardsphere"
double Iq_hardsphere(double q, double radius_effective, double volfraction)
{
      double D,A,B,G,X,X2,X4,S,C,FF,HARDSPH;
      // these are c compiler instructions, can also put normal code inside the "if else" structure
      #if FLOAT_SIZE > 4
      // double precision
      // orig had 0.2, don't call the variable cutoff as PAK already has one called that!
      // Must use UPPERCASE name please.
      // 0.05 better, 0.1 OK
      #define CUTOFFHS 0.05
      #else
      // 0.1 bad, 0.2 OK, 0.3 good, 0.4 better, 0.8 no good
      #define CUTOFFHS 0.4
      #endif

      if(fabs(radius_effective) < 1.E-12) {
               HARDSPH=1.0;
//printf("HS1 %g: %g\n",q,HARDSPH);
               return(HARDSPH);
      }
      // removing use of pow(xxx,2) and rearranging the calcs
      // of A, B & G cut ~40% off execution time ( 0.5 to 0.3 msec)
      X = 1.0/( 1.0 -volfraction);
      D= X*X;
      A= (1.+2.*volfraction)*D;
      A *=A;
      X=fabs(q*radius_effective*2.0);

      if(X < 5.E-06) {
                 HARDSPH=1./A;
//printf("HS2 %g: %g\n",q,HARDSPH);
                 return(HARDSPH);
      }
      X2 =X*X;
      B = (1.0 +0.5*volfraction)*D;
      B *= B;
      B *= -6.*volfraction;
      G=0.5*volfraction*A;

      if(X < CUTOFFHS) {
      // RKH Feb 2016, use Taylor series expansion for small X
      // else no obvious way to rearrange the equations to avoid
      // needing a very high number of significant figures.
      // Series expansion found using Mathematica software. Numerical test
      // in .xls showed terms to X^2 are sufficient
      // for 5 or 6 significant figures, but I put the X^4 one in anyway
            //FF = 8*A +6*B + 4*G - (0.8*A +2.0*B/3.0 +0.5*G)*X2 +(A/35. +B/40. +G/50.)*X4;
            // refactoring the polynomial makes it very slightly faster (0.5 not 0.6 msec)
            //FF = 8*A +6*B + 4*G + ( -0.8*A -2.0*B/3.0 -0.5*G +(A/35. +B/40. +G/50.)*X2)*X2;

            FF = 8.0*A +6.0*B + 4.0*G + ( -0.8*A -B/1.5 -0.5*G +(A/35. +0.0125*B +0.02*G)*X2)*X2;

            // combining the terms makes things worse at smallest Q in single precision
            //FF = (8-0.8*X2)*A +(3.0-X2/3.)*2*B + (4+0.5*X2)*G +(A/35. +B/40. +G/50.)*X4;
            // note that G = -volfraction*A/2, combining this makes no further difference at smallest Q
            //FF = (8 +2.*volfraction + ( volfraction/4. -0.8 +(volfraction/100. -1./35.)*X2 )*X2 )*A  + (3.0 -X2/3. +X4/40.)*2.*B;
            HARDSPH= 1./(1. + volfraction*FF );
//printf("HS3 %g: %g\n",q,HARDSPH);
            return(HARDSPH);
      }
      X4=X2*X2;
      SINCOS(X,S,C);

// RKH Feb 2016, use version FISH code as is better than original sasview one
// at small Q in single precision, and more than twice as fast in double.
      //FF=A*(S-X*C)/X + B*(2.*X*S -(X2-2.)*C -2.)/X2 + G*( (4.*X2*X -24.*X)*S -(X4 -12.*X2 +24.)*C +24. )/X4;
      // refactoring the polynomial here & above makes it slightly faster

      FF=  (( G*( (4.*X2 -24.)*X*S -(X4 -12.*X2 +24.)*C +24. )/X2 + B*(2.*X*S -(X2-2.)*C -2.) )/X + A*(S-X*C))/X ;
      HARDSPH= 1./(1. + 24.*volfraction*FF/X2 );

      // changing /X and /X2 to *MX1 and *MX2, no significantg difference?
      //MX=1.0/X;
      //MX2=MX*MX;
      //FF=  (( G*( (4.*X2 -24.)*X*S -(X4 -12.*X2 +24.)*C +24. )*MX2 + B*(2.*X*S -(X2-2.)*C -2.) )*MX + A*(S-X*C)) ;
      //HARDSPH= 1./(1. + 24.*volfraction*FF*MX2*MX );

// grouping the terms, was about same as sasmodels for single precision issues
//     FF=A*(S/X-C) + B*(2.*S/X - C +2.0*(C-1.0)/X2) + G*( (4./X -24./X3)*S -(1.0 -12./X2 +24./X4)*C +24./X4 );
//     HARDSPH= 1./(1. + 24.*volfraction*FF/X2 );
// remove 1/X2 from final line, take more powers of X inside the brackets, stil bad
//      FF=A*(S/X3-C/X2) + B*(2.*S/X3 - C/X2 +2.0*(C-1.0)/X4) + G*( (4./X -24./X3)*S -(1.0 -12./X2 +24./X4)*C +24./X4 )/X2;
//      HARDSPH= 1./(1. + 24.*volfraction*FF );
//printf("HS4 %g: %g\n",q,HARDSPH);
      return(HARDSPH);
}

#endif // SAS_HAVE_hardsphere



/* END Required header for SASmodel hardsphere */
%}
    DECLARE
%{
  double shape;
  double my_a_v;
%}

INITIALIZE
%{
shape=-1;  /* -1:no shape, 0:cyl, 1:box, 2:sphere  */
if (xwidth && yheight && zdepth)
    shape=1;
  else if (R > 0 && yheight)
    shape=0;
  else if (R > 0 && !yheight)
    shape=2;
  if (shape < 0)
    exit(fprintf(stderr, "SasView_model: %s: sample has invalid dimensions.\n"
                         "ERROR     Please check parameter values.\n", NAME_CURRENT_COMP));

  /* now compute target coords if a component index is supplied */
  if (!target_index && !target_x && !target_y && !target_z) target_index=1;
  if (target_index)
  {
    Coords ToTarget;
    ToTarget = coords_sub(POS_A_COMP_INDEX(INDEX_CURRENT_COMP+target_index),POS_A_CURRENT_COMP);
    ToTarget = rot_apply(ROT_A_CURRENT_COMP, ToTarget);
    coords_get(ToTarget, &target_x, &target_y, &target_z);
  }

  if (!(target_x || target_y || target_z)) {
    printf("SasView_model: %s: The target is not defined. Using direct beam (Z-axis).\n",
      NAME_CURRENT_COMP);
    target_z=1;
  }

  my_a_v = model_abs*2200*100; /* Is not yet divided by v. 100: Convert barns -> fm^2 */

%}


TRACE
%{
  double t0, t1, v, l_full, l, l_1, dt, d_phi, my_s;
  double aim_x=0, aim_y=0, aim_z=1, axis_x, axis_y, axis_z;
  double arg, tmp_vx, tmp_vy, tmp_vz, vout_x, vout_y, vout_z;
  double f, solid_angle, vx_i, vy_i, vz_i, q, qx, qy, qz;
  char intersect=0;

  /* Intersection neutron trajectory / sample (sample surface) */
  if (shape == 0){
    intersect = cylinder_intersect(&t0, &t1, x, y, z, vx, vy, vz, R, yheight);}
  else if (shape == 1){
    intersect = box_intersect(&t0, &t1, x, y, z, vx, vy, vz, xwidth, yheight, zdepth);}
  else if (shape == 2){
    intersect = sphere_intersect(&t0, &t1, x, y, z, vx, vy, vz, R);}
  if(intersect)
  {
    if(t0 < 0)
      ABSORB;

    /* Neutron enters at t=t0. */
    v = sqrt(vx*vx + vy*vy + vz*vz);
    l_full = v * (t1 - t0);          /* Length of full path through sample */
    dt = rand01()*(t1 - t0) + t0;    /* Time of scattering */
    PROP_DT(dt);                     /* Point of scattering */
    l = v*(dt-t0);                   /* Penetration in sample */

    vx_i=vx;
    vy_i=vy;
    vz_i=vz;
    if ((target_x || target_y || target_z)) {
      aim_x = target_x-x;            /* Vector pointing at target (anal./det.) */
      aim_y = target_y-y;
      aim_z = target_z-z;
    }
    if(focus_aw && focus_ah) {
      randvec_target_rect_angular(&vx, &vy, &vz, &solid_angle,
        aim_x, aim_y, aim_z, focus_aw, focus_ah, ROT_A_CURRENT_COMP);
    } else if(focus_xw && focus_yh) {
      randvec_target_rect(&vx, &vy, &vz, &solid_angle,
        aim_x, aim_y, aim_z, focus_xw, focus_yh, ROT_A_CURRENT_COMP);
    } else {
      randvec_target_circle(&vx, &vy, &vz, &solid_angle, aim_x, aim_y, aim_z, focus_r);
    }
    NORM(vx, vy, vz);
    vx *= v;
    vy *= v;
    vz *= v;
    qx = V2K*(vx_i-vx);
    qy = V2K*(vy_i-vy);
    qz = V2K*(vz_i-vz);
    q = sqrt(qx*qx+qy*qy+qz*qz);
    
    double trace_radius_effective=radius_effective;
    if ( pd_radius_effective!=0.0 ){
    trace_radius_effective = (randnorm()*pd_radius_effective+1.0)*radius_effective;
    }

        


    // Sample dependent. Retrieved from SasView./////////////////////
    float Iq_out;
    Iq_out = 1;

    Iq_out = Iq_hardsphere(q, trace_radius_effective, volfraction);


    float vol;
    vol = 1;

    // Scale by 1.0E2 [SasView: 1/cm  ->   McStas: 1/m]
    Iq_out = model_scale*Iq_out / vol * 1.0E2;

    l_1 = v*t1;
    p *= l_full*solid_angle/(4*PI)*Iq_out*exp(-my_a_v*(l+l_1)/v);
    SCATTER;
  }
%}

MCDISPLAY
%{

  if (shape == 0) {	/* cylinder */
    circle("xz", 0,  yheight/2.0, 0, R);
    circle("xz", 0, -yheight/2.0, 0, R);
    line(-R, -yheight/2.0, 0, -R, +yheight/2.0, 0);
    line(+R, -yheight/2.0, 0, +R, +yheight/2.0, 0);
    line(0, -yheight/2.0, -R, 0, +yheight/2.0, -R);
    line(0, -yheight/2.0, +R, 0, +yheight/2.0, +R);
  }
  else if (shape == 1) { 	/* box */
    double xmin = -0.5*xwidth;
    double xmax =  0.5*xwidth;
    double ymin = -0.5*yheight;
    double ymax =  0.5*yheight;
    double zmin = -0.5*zdepth;
    double zmax =  0.5*zdepth;
    multiline(5, xmin, ymin, zmin,
                 xmax, ymin, zmin,
                 xmax, ymax, zmin,
                 xmin, ymax, zmin,
                 xmin, ymin, zmin);
    multiline(5, xmin, ymin, zmax,
                 xmax, ymin, zmax,
                 xmax, ymax, zmax,
                 xmin, ymax, zmax,
                 xmin, ymin, zmax);
    line(xmin, ymin, zmin, xmin, ymin, zmax);
    line(xmax, ymin, zmin, xmax, ymin, zmax);
    line(xmin, ymax, zmin, xmin, ymax, zmax);
    line(xmax, ymax, zmin, xmax, ymax, zmax);
  }
  else if (shape == 2) {	/* sphere */
    circle("xy", 0,  0.0, 0, R);
    circle("xz", 0,  0.0, 0, R);
    circle("yz", 0,  0.0, 0, R);
  }
%}
END