-
Notifications
You must be signed in to change notification settings - Fork 122
/
EstimateDivergence.cpp
129 lines (109 loc) · 4.79 KB
/
EstimateDivergence.cpp
1
2
3
4
5
6
7
8
9
10
11
12
13
14
15
16
17
18
19
20
21
22
23
24
25
26
27
28
29
30
31
32
33
34
35
36
37
38
39
40
41
42
43
44
45
46
47
48
49
50
51
52
53
54
55
56
57
58
59
60
61
62
63
64
65
66
67
68
69
70
71
72
73
74
75
76
77
78
79
80
81
82
83
84
85
86
87
88
89
90
91
92
93
94
95
96
97
98
99
100
101
102
103
104
105
106
107
108
109
110
111
112
113
114
115
116
117
118
119
120
121
122
123
124
125
126
127
128
129
#include "MantidAlgorithms/EstimateDivergence.h"
#include "MantidAPI/MatrixWorkspace.h"
#include "MantidAPI/SpectrumInfo.h"
#include "MantidDataObjects/Workspace2D.h"
#include "MantidDataObjects/WorkspaceCreation.h"
#include "MantidGeometry/IDetector.h"
#include "MantidGeometry/Instrument/ComponentInfo.h"
#include "MantidGeometry/Instrument/DetectorInfo.h"
#include "MantidKernel/BoundedValidator.h"
#include "MantidKernel/V3D.h"
#include "MantidTypes/SpectrumDefinition.h"
namespace Mantid {
namespace Algorithms {
using namespace std;
using Mantid::Kernel::Direction; // NOLINT
using Mantid::API::WorkspaceProperty; // NOLINT
// Register the algorithm into the AlgorithmFactory
DECLARE_ALGORITHM(EstimateDivergence)
//----------------------------------------------------------------------------------------------
/// Algorithms name for identification. @see Algorithm::name
const std::string EstimateDivergence::name() const {
return "EstimateDivergence";
}
/// Algorithm's version for identification. @see Algorithm::version
int EstimateDivergence::version() const { return 1; }
/// Algorithm's category for identification. @see Algorithm::category
const std::string EstimateDivergence::category() const {
return "Diffraction\\Utility";
}
/// Algorithm's summary for use in the GUI and help. @see Algorithm::summary
const std::string EstimateDivergence::summary() const {
return "Estimate the divergence of each detector pixel";
}
//----------------------------------------------------------------------------------------------
/** Initialize the algorithm's properties.
*/
void EstimateDivergence::init() {
declareProperty(Kernel::make_unique<WorkspaceProperty<API::MatrixWorkspace>>(
"InputWorkspace", "", Direction::Input),
"Workspace to have divergence calculated from");
auto positiveParameter =
boost::make_shared<Kernel::BoundedValidator<double>>();
positiveParameter->setLower(0.);
positiveParameter->setLowerExclusive(false); // zero is allowed
declareProperty("alpha", 0., positiveParameter,
"Vertical divergence parameter");
declareProperty("beta0", 0., positiveParameter,
"Horizontal divergence parameter");
declareProperty("beta1", 0., positiveParameter,
"Other horizontal divergence parameter");
declareProperty(
Kernel::make_unique<WorkspaceProperty<API::MatrixWorkspace>>(
"OutputWorkspace", "", Direction::Output),
"Workspace containing the divergence of each detector/spectrum");
}
//----------------------------------------------------------------------------------------------
/** Execute the algorithm.
*/
void EstimateDivergence::exec() {
// read input parameters
API::MatrixWorkspace_sptr inputWS = getProperty("InputWorkspace");
const double alpha = getProperty("alpha");
const double beta0 = getProperty("beta0");
const double beta1 = getProperty("beta1");
// derived terms
const double horizontal = alpha * alpha;
const double vertical_numerator = 4. * (beta0 * beta0 + beta1 * beta1);
// create output workspaces
API::MatrixWorkspace_sptr divergenceWS =
DataObjects::create<DataObjects::Workspace2D>(*inputWS,
HistogramData::Points(1));
// do the math
const auto &spectrumInfo = inputWS->spectrumInfo();
const auto samplepos = spectrumInfo.samplePosition();
const auto &componentInfo = inputWS->componentInfo();
const auto &detectorInfo = inputWS->detectorInfo();
size_t numspec = inputWS->getNumberHistograms();
double solidangletotal = 0.;
for (size_t i = 0; i < numspec; ++i) {
// angle
const double twotheta =
spectrumInfo.isMonitor(i) ? 0.0 : spectrumInfo.twoTheta(i);
const double sintwotheta = sin(twotheta);
// vertical term
const double vertical = vertical_numerator / (sintwotheta * sintwotheta);
// solid angle
double solidangle = 0.0;
for (const auto &index : spectrumInfo.spectrumDefinition(i)) {
// No scanning support for solidAngle currently, use only first component
// of index, ignore time index
if (!detectorInfo.isMasked(index.first))
solidangle += componentInfo.solidAngle(index.first, samplepos);
}
solidangletotal += solidangle;
const double deltatwotheta = sqrt(solidangle);
// put it all together and set it in the output workspace
const double divergence =
.5 * sqrt(deltatwotheta * deltatwotheta + horizontal + vertical);
divergenceWS->mutableX(i)[0] = static_cast<double>(i);
if (spectrumInfo.isMonitor(i))
divergenceWS->mutableY(i)[0] = 0.;
else
divergenceWS->mutableY(i)[0] = divergence;
}
g_log.notice() << "total solid angle " << solidangletotal << "\n";
setProperty("OutputWorkspace", divergenceWS);
}
} // namespace Algorithms
} // namespace Mantid