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Add comp-formatter to McStas sasmodels comps #2316

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Merged
willend merged 1 commit into from
Feb 19, 2026
+8,041 −9,509
Merged

Add comp-formatter to McStas sasmodels comps #2316

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178 changes: 81 additions & 97 deletions mcstas-comps/sasmodels/SasView_adsorbed_layer.comp
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Original file line number Diff line number Diff line change
Expand Up @@ -139,155 +139,139 @@ double Iq_adsorbed_layer(

INITIALIZE
%{
shape=-1; /* -1:no shape, 0:cyl, 1:box, 2:sphere */
if (xwidth && yheight && zdepth)
shape=1;
shape = -1; /* -1:no shape, 0:cyl, 1:box, 2:sphere */
if (xwidth && yheight && zdepth)
shape = 1;
else if (R > 0 && yheight)
shape=0;
shape = 0;
else if (R > 0 && !yheight)
shape=2;
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));
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)
{
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);
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;
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 */

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 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;
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)
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);
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 */
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;
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;
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);
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);
randvec_target_circle (&vx, &vy, &vz, &solid_angle, aim_x, aim_y, aim_z, focus_r);
}
NORM(vx, vy, vz);
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=radius;
if ( pd_radius!=0.0 ){
trace_radius = (randnorm()*pd_radius+1.0)*radius;
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 = radius;
if (pd_radius != 0.0) {
trace_radius = (randnorm () * pd_radius + 1.0) * radius;
}




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

Iq_out = Iq_adsorbed_layer(q, second_moment, adsorbed_amount, density_shell, trace_radius, volfraction, sld_shell, sld_solvent);

Iq_out = Iq_adsorbed_layer (q, second_moment, adsorbed_amount, density_shell, trace_radius, volfraction, sld_shell, sld_solvent);

float vol;
vol = 1;

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