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/*******************************************************************************
*
* McXtrace, X-ray tracing package
* Copyright, All rights reserved
* DTU Physics, Kgs. Lyngby, Denmark
* Synchrotron SOLEIL, Saint-Aubin, France
*
* Component: SasView_two_lorentzian
*
* %Identification
* Written by: Jose Robledo
* Based on sasmodels from SasView
* Origin: FZJ / DTU / ESS DMSC
*
*
* SasView two_lorentzian model component as sample description.
*
* %Description
*
* SasView_two_lorentzian component, generated from two_lorentzian.c in sasmodels.
*
* Example:
* SasView_two_lorentzian(lorentz_scale_1, lorentz_length_1, lorentz_exp_1, lorentz_scale_2, lorentz_length_2, lorentz_exp_2,
* 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_lorentz_length_1=0.0, pd_lorentz_length_2=0.0)
*
* %Parameters
* INPUT PARAMETERS:
* lorentz_scale_1: [] ([-inf, inf]) First power law scale factor.
* lorentz_length_1: [Ang] ([-inf, inf]) First Lorentzian screening length.
* lorentz_exp_1: [] ([-inf, inf]) First exponent of power law.
* lorentz_scale_2: [] ([-inf, inf]) Second scale factor for broad Lorentzian peak.
* lorentz_length_2: [Ang] ([-inf, inf]) Second Lorentzian screening length.
* lorentz_exp_2: [] ([-inf, inf]) Second exponent of power law.
* 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_lorentz_length_1: [] (0,inf) defined as (dx/x), where x is de mean value and dx the standard devition of the variable.
* pd_lorentz_length_2: [] (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_two_lorentzian
SETTING PARAMETERS (
lorentz_scale_1=10.0,
lorentz_length_1=100.0,
lorentz_exp_1=3.0,
lorentz_scale_2=1.0,
lorentz_length_2=10.0,
lorentz_exp_2=2.0,
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_lorentz_length_1=0.0,
pd_lorentz_length_2=0.0)
SHARE %{
%include "sas_kernel_header.c"
/* BEGIN Required header for SASmodel two_lorentzian */
#define HAS_Iq
#ifndef SAS_HAVE_two_lorentzian
#define SAS_HAVE_two_lorentzian
#line 1 "two_lorentzian"
#include <math.h>
double Iq_two_lorentzian(double q,
double lorentz_scale_1,
double lorentz_length_1,
double lorentz_exp_1,
double lorentz_scale_2,
double lorentz_length_2,
double lorentz_exp_2);
#pragma acc routine seq
double Iq_two_lorentzian(double q,
double lorentz_scale_1,
double lorentz_length_1,
double lorentz_exp_1,
double lorentz_scale_2,
double lorentz_length_2,
double lorentz_exp_2) {
double intensity = lorentz_scale_1 / (1.0 + pow(q * lorentz_length_1, lorentz_exp_1));
intensity += lorentz_scale_2 / (1.0 + pow(q * lorentz_length_2, lorentz_exp_2));
return intensity;
}
#endif // SAS_HAVE_two_lorentzian
/* END Required header for SASmodel two_lorentzian */
%}
DECLARE
%{
double shape;
double my_a_k;
%}
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;
}
/*TODO fix absorption*/
my_a_k = model_abs; /* assume absorption is given in 1/m */
%}
TRACE
%{
double l0, l1, k, l_full, l, dl, d_Phi;
double aim_x=0, aim_y=0, aim_z=1, axis_x, axis_y, axis_z;
double f, solid_angle, kx_i, ky_i, kz_i, q, qx, qy, qz;
char intersect=0;
/* Intersection photon trajectory / sample (sample surface) */
if (shape == 0){
intersect = cylinder_intersect(&l0, &l1, x, y, z, kx, ky, kz, R, yheight);}
else if (shape == 1){
intersect = box_intersect(&l0, &l1, x, y, z, kx, ky, kz, xwidth, yheight, zdepth);}
else if (shape == 2){
intersect = sphere_intersect(&l0, &l1, x, y, z, kx, ky, kz, R);}
if(intersect)
{
if(l0 < 0)
ABSORB;
/* Photon enters at l0. */
k = sqrt(kx*kx + ky*ky + kz*kz);
l_full = (l1 - l0); /* Length of full path through sample */
dl = rand01()*(l1 - l0) + l0; /* Point of scattering */
PROP_DL(dl); /* Point of scattering */
l = (dl-l0); /* Penetration in sample */
kx_i=kx;
ky_i=ky;
kz_i=kz;
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(&kx, &ky, &kz, &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(&kx, &ky, &kz, &solid_angle,
aim_x, aim_y, aim_z, focus_xw, focus_yh, ROT_A_CURRENT_COMP);
} else {
randvec_target_circle(&kx, &ky, &kz, &solid_angle, aim_x, aim_y, aim_z, focus_r);
}
NORM(kx, ky, kz);
kx *= k;
ky *= k;
kz *= k;
qx = (kx_i-kx);
qy = (ky_i-ky);
qz = (kz_i-kz);
q = sqrt(qx*qx+qy*qy+qz*qz);
double trace_lorentz_length_1=lorentz_length_1;
double trace_lorentz_length_2=lorentz_length_2;
if ( pd_lorentz_length_1!=0.0 || pd_lorentz_length_2!=0.0 ){
trace_lorentz_length_1 = (randnorm()*pd_lorentz_length_1+1.0)*lorentz_length_1;
trace_lorentz_length_2 = (randnorm()*pd_lorentz_length_2+1.0)*lorentz_length_2;
}
// Sample dependent. Retrieved from SasView./////////////////////
float Iq_out;
Iq_out = 1;
Iq_out = Iq_two_lorentzian(q, lorentz_scale_1, trace_lorentz_length_1, lorentz_exp_1, lorentz_scale_2, trace_lorentz_length_2, lorentz_exp_2);
float vol;
vol = 1;
// Scale by 1.0E2 [SasView: 1/cm -> McXtrace: 1/m]
Iq_out = model_scale*Iq_out / vol * 1.0E2;
p *= l_full*solid_angle/(4*PI)*Iq_out*exp(-my_a_k*(l+l1));
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
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