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/*******************************************************************************
*
* McStas, neutron ray-tracing package
* Copyright 1997-2002, All rights reserved
* Risoe National Laboratory, Roskilde, Denmark
* Institut Laue Langevin, Grenoble, France
*
* Component: Sqw_monitor
*
* %I
* Written by: Peter Willendrup
* Date: November, 2020
* Origin: DTU
*
* Monitor outputting S(q,w)
* %D
*
* The assumption is that the "current" neutron represents the final state, whereas the incoming state
* is found by restoring the neutron state "index" components earlier.
*
* Example: Sqw_monitor(filename="output", Emin=0,Emax=5,nE=11,nq=100,nqb=100,qmin=0,qmax=1,index=-2)
* AT (0,0,0) RELATIVE sample
*
* %P
* INPUT PARAMETERS:
*
* radius: [m] Cylinder radius (optional)
* yheight: [m] Cylinder height (optional)
* qmin: [AA^-1] Defines interval (qmin,qmax) where monitor measures in nq bins
* qmax: [AA^-1] Defines interval (qmin,qmax) where monitor measures in nq bins
* nq: [int] Number of bins in q
* Emin: [meV] Defines the energy-transfer [Emin,Emax] window to monitor in nE bins
* Emax: [meV] Defines the energy-transfer [Emax,Emax] window to monitor in nE bins
* nE: [int] Number of energy slices
* vix: [string] Points to instrument-level USERVAR for reading an earlier x-velocity
* viy: [string] Points to instrument-level USERVAR for reading an earlier y-velocity
* viz: [string] Points to instrument-level USERVAR for reading an earlier z-velocity
* filename: [string] Base filename to use, nE+1 files will be output
* nowritefile: [1] If set, monitor will skip writing to disk
*
* CALCULATED PARAMETERS:
*
* M_N: [] 2D array of neutron counts
* M_p: [] 2D array of neutron weight counts
* N_p2: [] 2D array of second moments
* M_Ns: [] 2D array of neutron counts
* M_ps: [] 2D array of neutron weight counts
* N_p2s: [] 2D array of second moments
*
* %E
*******************************************************************************/
DEFINE COMPONENT Sqw_monitor
SETTING PARAMETERS (qmin=0,qmax=2,Emin=0,Emax=5,int nq=90, int nE=90, string filename=0, int nowritefile=0, string vix="", string viy="", string viz="", radius=0, yheight=0)
DECLARE
%{
DArray2d M_N;
DArray2d M_p;
DArray2d M_p2;
double dE;
%}
INITIALIZE
%{
/* Make checks for limits on qa, qb, w grid */
M_N=create_darr2d(nE,nq);
M_p=create_darr2d(nE,nq);
M_p2=create_darr2d(nE,nq);
dE=(Emax-Emin)/(1.0*nE-1);
// Use instance name for monitor output if no input was given
if (!strcmp(filename,"\0")) sprintf(filename,"%s",NAME_CURRENT_COMP);
%}
TRACE
%{
int i,j;
double rvx,rvy,rvz;
double Ei,Ef,E,Ki,Kf;
double qx,qy,qz;
double q,qq;
double kix,kiy,kiz;
double kfx,kfy,kfz;
double t0,t1;
double phi;
int detect=1;
int fail;
rvx = particle_getvar(_particle,vix,&fail); if(fail) rvx=0;
rvy = particle_getvar(_particle,viy,&fail); if(fail) rvy=0;
rvz = particle_getvar(_particle,viz,&fail); if(fail) rvz=0;
/* If initial state is with v=(0,0,0), detect nothing */
if (!(rvx==0 && rvy==0 && rvz==0)) {
Ei = VS2E*(rvx*rvx + rvy*rvy + rvz*rvz);
Ef = VS2E*( vx*vx + vy*vy + vz*vz);
E=Ef-Ei;
/* calculate k vectors and momentum transfer*/
kix=rvx;
kiy=rvy;
kiz=rvz;
kfx=vx;
kfy=vy;
kfz=vz;
NORM(kix, kiy, kiz);
NORM(kfx, kfy, kfz);
/* K-vector lengths */
Ki=V2K*sqrt((rvx*rvx)+(rvy*rvy)+(rvz*rvz));
Kf=V2K*sqrt((vx*vx)+(vy*vy)+(vz*vz));
kix=Ki*kix; kiy=Ki*kiy; kiz=Ki*kiz;
kfx=Kf*kfx; kfy=Kf*kfy; kfz=Kf*kfz;
qx=kfx-kix;
qy=kfy-kiy;
qz=kfz-kiz;
qq = sqrt(qx*qx+qy*qy+qz*qz);
/* Check if we should detect or not */
if (detect) {
if (radius && yheight) {
if (cylinder_intersect(&t0, &t1, x, y, z, vx, vy, vz, radius, yheight) == 1) {
if (t0<0 && t1>0) {
PROP_DT(t1);
} else {
detect=0;
}
} else {
detect=0;
}
}
}
/* Check if we are within the selected q/e range */
if (detect && qq <= qmax && qq>=qmin && E<= Emax && E>=Emin) {
i = floor((qq - qmin)*nq/(qmax - qmin));
j = floor((E - Emin)*nE/(Emax - Emin));
double p2 = p*p;
#pragma acc atomic
M_N[i][j] = M_N[i][j] + 1 ;
#pragma acc atomic
M_p[i][j] = M_p[i][j] + p;
#pragma acc atomic
M_p2[i][j] = M_p2[i][j] + p2;
SCATTER;
}
RESTORE_NEUTRON(INDEX_CURRENT_COMP, x, y, z, vx, vy, vz, t, sx, sy, sz, p);
}
%}
SAVE
%{
if (!nowritefile) {
DETECTOR_OUT_2D(
"q vs E monitor",
"q [AA^-1]",
"E [meV]",
qmin, qmax, Emin, Emax,
nq, nE,
&M_N[0][0],&M_p[0][0],&M_p2[0][0],
filename);
}
%}
FINALLY %{
destroy_darr2d(M_N);
destroy_darr2d(M_p);
destroy_darr2d(M_p2);
%}
MCDISPLAY
%{
%}
END
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