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/*******************************************************************************
* McXtrace, X-ray tracing package
* Copyright, All rights reserved
* Risoe National Laboratory, Roskilde, Denmark
* Institut Laue Langevin, Grenoble, France
*
* Component: SANSQMonitor
*
* %I
* Written by: Søren Kynde (kynde@nbi.dk)
* Rewritten by: Martin Cramer Pedersen (mcpe@nbi.dk)
* Date: October 17, 2012
* Origin: KU-Science
*
* A circular detector measuring the radial average of intensity as a function
* of the momentum transform in the sample.
*
* %D
* A simple component simulating the scattering from a box-shaped, thin solution
* of monodisperse, spherical particles.
*
* %P
* RadiusDetector: [m] Radius of the detector (in the xy-plane).
* DistanceFromSample: [m] Distance from the sample to this component.
* LambdaMin: [AA] Max sensitivity in lambda - used to compute the highest possible value of momentum transfer, q.
* NumberOfBins: [] Number of bins in the r (and q).
* RFilename: [] File used for storing I(r).
* qFilename: [] File used for storing I(q).
* Lambda0: [] If lambda is given, the momentum transfers of all rays are computed from this value. Otherwise, instrumental effects are neglected.
* restore_neutron: [] If set to 1, the component restores the original neutron.
*
* %E
*******************************************************************************/
DEFINE COMPONENT SANSQMonitor
SETTING PARAMETERS (NumberOfBins = 100,
string RFilename = "RDetector", string qFilename = "QDetector",
RadiusDetector, DistanceFromSample, LambdaMin = 1.0, Lambda0 = 0.0, restore_neutron = 0)
DECLARE
%{
// Declarations
double TwoThetaMax;
double qMax;
DArray1d Nofq;
DArray1d Iofq;
DArray1d IofqSquared;
DArray1d NofR;
DArray1d IofR;
DArray1d IofRSquared;
%}
INITIALIZE
%{
// Declarations
int i;
Nofq = create_darr1d(NumberOfBins);
Iofq = create_darr1d(NumberOfBins);
IofqSquared = create_darr1d(NumberOfBins);
NofR = create_darr1d(NumberOfBins);
IofR = create_darr1d(NumberOfBins);
IofRSquared = create_darr1d(NumberOfBins);
// Initializations
for (i = 0; i < NumberOfBins; ++i) {
Nofq[i] = 0.0;
Iofq[i] = 0.0;
IofqSquared[i] = 0.0;
}
TwoThetaMax = atan(RadiusDetector / DistanceFromSample);
qMax = 4 * PI * sin(TwoThetaMax / 2.0) / LambdaMin;
%}
TRACE
%{
// Declarations
int i;
double TwoTheta;
double Lambda;
double R;
double RLow;
double RHigh;
double q;
double qLow;
double qHigh;
double TwoThetaLow;
double TwoThetaHigh;
double AreaOfSlice;
PROP_Z0;
// Computation of R
R = sqrt(pow(x, 2) + pow(y, 2));
// Computation of q
if (Lambda0 <= 0.0) {
Lambda = 2.0 * PI / (V2K * sqrt(pow(vx, 2) + pow(vy, 2) + pow(vz, 2)));
} else {
Lambda = Lambda0;
}
TwoTheta = atan(R / DistanceFromSample);
q = 4.0 * PI * sin(TwoTheta / 2.0) / Lambda;
// Put neutron in the correct r-bin
if (R < RadiusDetector) {
i = floor(NumberOfBins * R / RadiusDetector);
RLow = RadiusDetector / NumberOfBins * i;
RHigh = RadiusDetector / NumberOfBins * (i + 1);
TwoThetaLow = atan(RLow / DistanceFromSample);
TwoThetaHigh = atan(RHigh / DistanceFromSample);
AreaOfSlice = fabs((cos(2.0 * TwoThetaLow) - cos(2.0 * TwoThetaHigh)) * 2.0 * PI);
#pragma acc atomic
NofR[i] = NofR[i] + 1;
double p_A=p/AreaOfSlice;
#pragma acc atomic
IofR[i] = IofR[i] + p_A;
double p2_A2= p*p/(AreaOfSlice*AreaOfSlice);
#pragma acc atomic
IofRSquared[i] = IofRSquared[i] + p2_A2;
}
// Put neutron in the correct q-bin
if (q < qMax) {
i = floor(NumberOfBins * q / qMax);
qLow = qMax / NumberOfBins * i;
qHigh = qMax / NumberOfBins * (i + 1);
TwoThetaLow = asin(qLow * Lambda / (4.0 * PI));
TwoThetaHigh = asin(qHigh * Lambda / (4.0 * PI));
AreaOfSlice = fabs((cos(2.0 * TwoThetaLow) - cos(2.0 * TwoThetaHigh)) * 2.0 * PI);
#pragma acc atomic
Nofq[i] = Nofq[i] + 1;
double p_A=p/AreaOfSlice;
#pragma acc atomic
Iofq[i] = Iofq[i] + p_A;
double p2_A2= p*p/(AreaOfSlice*AreaOfSlice);
#pragma acc atomic
IofqSquared[i] = IofqSquared[i] + p2_A2;
SCATTER;
}
// Restore neutron if requested
if (restore_neutron) {
// RESTORE_NEUTRON(INDEX_CURRENT_COMP, x, y, z, vx, vy, vz, t, sx, sy, sz, p);
}
%}
SAVE
%{
// Output I(r)
DETECTOR_OUT_1D(
"QMonitor - Radially averaged distribution",
"Radius [m]",
"I(r)",
"r",
0.0,
RadiusDetector,
NumberOfBins,
&NofR[0],
&IofR[0],
&IofRSquared[0],
RFilename
);
// Output I(q)
DETECTOR_OUT_1D(
"QMonitor - Distribution in q (Radially averaged)",
"q [1 / AA]",
"I(q)",
"q",
0.0,
qMax,
NumberOfBins,
&Nofq[0],
&Iofq[0],
&IofqSquared[0],
qFilename
);
%}
FINALLY
%{
destroy_darr1d(Nofq);
destroy_darr1d(Iofq);
destroy_darr1d(IofqSquared);
destroy_darr1d(NofR);
destroy_darr1d(IofR);
destroy_darr1d(IofRSquared);
%}
MCDISPLAY
%{
circle("xy", 0, 0, 0, RadiusDetector);
%}
END
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