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#ifndef MANTID_MDALGORITHMS_LOADDNSSCDEWTEST_H_
#define MANTID_MDALGORITHMS_LOADDNSSCDEWTEST_H_
#include "MantidAPI/AnalysisDataService.h"
#include "MantidAPI/BoxController.h"
#include "MantidAPI/ExperimentInfo.h"
#include "MantidAPI/IMDEventWorkspace.h"
#include "MantidAPI/IMDIterator.h"
#include "MantidAPI/ITableWorkspace.h"
#include "MantidAPI/Run.h"
#include "MantidAPI/WorkspaceFactory.h"
#include "MantidDataObjects/MDBox.h"
#include "MantidDataObjects/MDEventFactory.h"
#include "MantidDataObjects/MDEventWorkspace.h"
#include "MantidGeometry/MDGeometry/HKL.h"
#include "MantidKernel/TimeSeriesProperty.h"
#include "MantidMDAlgorithms/LoadDNSSCD.h"
#include <cxxtest/TestSuite.h>
using namespace Mantid;
using namespace Mantid::Kernel;
using namespace Mantid::API;
using namespace Mantid::DataObjects;
using namespace Mantid::MDAlgorithms;
bool cmp_Events(const std::vector<coord_t> &ev1,
const std::vector<coord_t> &ev2) {
// event1 < event2 if it has smaller det_id and dE
assert(ev1.size() == 8);
assert(ev2.size() == 8);
if (std::abs(ev1[3] - ev2[3]) > eps) {
return ev1[3] < ev2[3];
} else {
return ev1[7] < ev2[7];
}
}
void sort_Events(std::vector<coord_t> &events) {
// 1. split the events vector into 8-sized chunks
std::vector<std::vector<coord_t>> sub_events;
auto itr = events.cbegin();
while (itr < events.cend()) {
sub_events.emplace_back(std::vector<coord_t>(itr, itr + 8));
itr += 8;
}
// 2. sort the vector of chunks
std::sort(sub_events.begin(), sub_events.end(), cmp_Events);
// 3. put the sorted array back
events.clear();
for (auto ev : sub_events) {
events.insert(end(events), begin(ev), end(ev));
}
class LoadDNSSCDTest : public CxxTest::TestSuite {
public:
// This pair of boilerplate methods prevent the suite being created statically
// This means the constructor isn't called when running other tests
static LoadDNSSCDTest *createSuite() { return new LoadDNSSCDTest(); }
static void destroySuite(LoadDNSSCDTest *suite) { delete suite; }
LoadDNSSCDTest() : m_fileName("dn134011vana.d_dat") {}
void test_Init() {
LoadDNSSCD alg;
TS_ASSERT_THROWS_NOTHING(alg.initialize());
TS_ASSERT(alg.isInitialized());
}
void test_Name() {
LoadDNSSCD alg;
TS_ASSERT_EQUALS(alg.name(), "LoadDNSSCD");
}
void test_Metadata() {
// test whether the metadata were loaded correctly
std::string outWSName("LoadDNSSCDTest_OutputWS");
std::string normWSName("LoadDNSSCDTest_OutputWS_norm");
LoadDNSSCD alg;
TS_ASSERT_THROWS_NOTHING(alg.initialize());
TS_ASSERT(alg.isInitialized());
TS_ASSERT_THROWS_NOTHING(alg.setPropertyValue("Filenames", m_fileName));
TS_ASSERT_THROWS_NOTHING(
alg.setPropertyValue("OutputWorkspace", outWSName));
TS_ASSERT_THROWS_NOTHING(
alg.setPropertyValue("NormalizationWorkspace", normWSName));
TS_ASSERT_THROWS_NOTHING(alg.setProperty("Normalization", "monitor"));
TS_ASSERT_THROWS_NOTHING(alg.execute(););
TS_ASSERT(alg.isExecuted());
// Retrieve the workspace from data service.
IMDEventWorkspace_sptr iws;
TS_ASSERT_THROWS_NOTHING(
iws = AnalysisDataService::Instance().retrieveWS<IMDEventWorkspace>(
outWSName));
TS_ASSERT(iws);
TS_ASSERT_EQUALS(iws->getNumExperimentInfo(), 1);
ExperimentInfo_sptr expinfo = iws->getExperimentInfo(0);
auto &run = expinfo->run();
double d(1e-05);
TS_ASSERT_DELTA(run.getPropertyValueAsType<double>("wavelength"), 4.2, d);
TimeSeriesProperty<double> *p =
dynamic_cast<TimeSeriesProperty<double> *>(run.getProperty("Lambda"));
TS_ASSERT_DELTA(p->firstValue(), 0.42, d);
p = dynamic_cast<TimeSeriesProperty<double> *>(run.getProperty("Energy"));
TS_ASSERT_DELTA(p->firstValue(), 4.640, d);
p = dynamic_cast<TimeSeriesProperty<double> *>(run.getProperty("Speed"));
TS_ASSERT_DELTA(p->firstValue(), 949.0, d);
p = dynamic_cast<TimeSeriesProperty<double> *>(run.getProperty("DeteRota"));
TS_ASSERT_DELTA(p->firstValue(), -8.54, d);
p = dynamic_cast<TimeSeriesProperty<double> *>(run.getProperty("Huber"));
TS_ASSERT_DELTA(p->firstValue(), 79.0, d);
p = dynamic_cast<TimeSeriesProperty<double> *>(
run.getProperty("Flipper_precession"));
TS_ASSERT_DELTA(p->firstValue(), 0.970, d);
p = dynamic_cast<TimeSeriesProperty<double> *>(
run.getProperty("Flipper_z_compensation"));
TS_ASSERT_DELTA(p->firstValue(), 0.400, d);
p = dynamic_cast<TimeSeriesProperty<double> *>(run.getProperty("C_a"));
TS_ASSERT_DELTA(p->firstValue(), 0.0, d);
p = dynamic_cast<TimeSeriesProperty<double> *>(run.getProperty("C_b"));
TS_ASSERT_DELTA(p->firstValue(), 0.110, d);
p = dynamic_cast<TimeSeriesProperty<double> *>(run.getProperty("C_c"));
TS_ASSERT_DELTA(p->firstValue(), -0.500, d);
p = dynamic_cast<TimeSeriesProperty<double> *>(run.getProperty("C_z"));
TS_ASSERT_DELTA(p->firstValue(), 0.0, d);
p = dynamic_cast<TimeSeriesProperty<double> *>(run.getProperty("T1"));
TS_ASSERT_DELTA(p->firstValue(), 295.0, d);
p = dynamic_cast<TimeSeriesProperty<double> *>(run.getProperty("T2"));
TS_ASSERT_DELTA(p->firstValue(), 296.477, d);
p = dynamic_cast<TimeSeriesProperty<double> *>(
run.getProperty("sample_setpoint"));
TS_ASSERT_DELTA(p->firstValue(), 295.0, d);
p = dynamic_cast<TimeSeriesProperty<double> *>(run.getProperty("Timer"));
TS_ASSERT_DELTA(p->firstValue(), 600.0, d);
p = dynamic_cast<TimeSeriesProperty<double> *>(run.getProperty("Monitor"));
TS_ASSERT_DELTA(p->firstValue(), 8332872, d);
p = dynamic_cast<TimeSeriesProperty<double> *>(
run.getProperty("TOF channels"));
TS_ASSERT_DELTA(p->firstValue(), 1.0, d);
TimeSeriesProperty<std::string> *s =
dynamic_cast<TimeSeriesProperty<std::string> *>(
run.getProperty("start_time"));
TS_ASSERT_EQUALS(s->firstValue(), "2013-04-16T16:11:02");
s = dynamic_cast<TimeSeriesProperty<std::string> *>(
run.getProperty("stop_time"));
TS_ASSERT_EQUALS(s->firstValue(), "2013-04-16T16:21:03");
AnalysisDataService::Instance().remove(outWSName);
}
void test_DataWSStructure() {
std::string outWSName("LoadDNSSCDTest_OutputWS");
std::string normWSName("LoadDNSSCDTest_OutputWS_norm");
LoadDNSSCD alg;
TS_ASSERT_THROWS_NOTHING(alg.initialize());
TS_ASSERT(alg.isInitialized());
TS_ASSERT_THROWS_NOTHING(alg.setPropertyValue("Filenames", m_fileName));
TS_ASSERT_THROWS_NOTHING(
alg.setPropertyValue("OutputWorkspace", outWSName));
TS_ASSERT_THROWS_NOTHING(
alg.setPropertyValue("NormalizationWorkspace", normWSName));
TS_ASSERT_THROWS_NOTHING(alg.setProperty("Normalization", "monitor"));
TS_ASSERT_THROWS_NOTHING(alg.setProperty("DeltaEmin", "-2.991993"));
TS_ASSERT_THROWS_NOTHING(alg.execute(););
TS_ASSERT(alg.isExecuted());
// Retrieve the workspace from data service.
IMDEventWorkspace_sptr iws;
TS_ASSERT_THROWS_NOTHING(
iws = AnalysisDataService::Instance().retrieveWS<IMDEventWorkspace>(
outWSName));
TS_ASSERT(iws);
TS_ASSERT_EQUALS(iws->getNumDims(), 4);
TS_ASSERT_EQUALS(iws->getNPoints(), 24);
TS_ASSERT_EQUALS(iws->id(), "MDEventWorkspace<MDEvent,4>");
// test box controller
BoxController_sptr bc = iws->getBoxController();
TS_ASSERT(bc);
TS_ASSERT_EQUALS(bc->getNumMDBoxes().size(), 6);
// test dimensions
std::vector<std::string> v = {"H", "K", "L", "DeltaE"};
for (auto i = 0; i < 4; i++) {
auto dim = iws->getDimension(i);
TS_ASSERT(dim);
TS_ASSERT_EQUALS(dim->getName(), v[i]);
TS_ASSERT_EQUALS(dim->getNBins(), 5);
double d(1.0e-05);
TS_ASSERT_DELTA(dim->getMinimum(), -2.991993, d);
TS_ASSERT_DELTA(dim->getMaximum(), 2.991993, d);
} else {
TS_ASSERT_DELTA(dim->getMaximum(), 4.637426, d);
}
AnalysisDataService::Instance().remove(outWSName);
}
void test_DataWS() {
// test whether the metadata were loaded correctly
std::string outWSName("LoadDNSSCDTest_OutputWS");
std::string normWSName("LoadDNSSCDTest_OutputWS_norm");
LoadDNSSCD alg;
TS_ASSERT_THROWS_NOTHING(alg.initialize());
TS_ASSERT(alg.isInitialized());
TS_ASSERT_THROWS_NOTHING(alg.setPropertyValue("Filenames", m_fileName));
TS_ASSERT_THROWS_NOTHING(
alg.setPropertyValue("OutputWorkspace", outWSName));
TS_ASSERT_THROWS_NOTHING(
alg.setPropertyValue("NormalizationWorkspace", normWSName));
TS_ASSERT_THROWS_NOTHING(alg.setProperty("Normalization", "monitor"));
TS_ASSERT_THROWS_NOTHING(alg.setProperty("a", 6.84));
TS_ASSERT_THROWS_NOTHING(alg.setProperty("b", 6.84));
TS_ASSERT_THROWS_NOTHING(alg.setProperty("c", 4.77));
TS_ASSERT_THROWS_NOTHING(alg.setProperty("alpha", 90.0));
TS_ASSERT_THROWS_NOTHING(alg.setProperty("beta", 90.0));
TS_ASSERT_THROWS_NOTHING(alg.setProperty("gamma", 120.0));
TS_ASSERT_THROWS_NOTHING(alg.setProperty("OmegaOffset", -43.0));
TS_ASSERT_THROWS_NOTHING(alg.setProperty("HKL1", "1,1,0"));
TS_ASSERT_THROWS_NOTHING(alg.setProperty("HKL2", "0,0,1"));
TS_ASSERT_THROWS_NOTHING(alg.execute(););
TS_ASSERT(alg.isExecuted());
// Retrieve the workspace from data service.
IMDEventWorkspace_sptr iws;
TS_ASSERT_THROWS_NOTHING(
iws = AnalysisDataService::Instance().retrieveWS<IMDEventWorkspace>(
outWSName));
TS_ASSERT(iws);
std::vector<API::IMDNode *> boxes(0, nullptr);
iws->getBoxes(boxes, 10000, false);
TSM_ASSERT_EQUALS("Number of boxes", boxes.size(), 1);
API::IMDNode *box = boxes[0];
// there are 24 points in the data file
TS_ASSERT_EQUALS(box->getNPoints(), 24);
std::vector<coord_t> events;
size_t ncols;
box->getEventsData(events, ncols);
// 8 columns: I, err^2, run_num, det_id, h, k, l, dE
TS_ASSERT_EQUALS(ncols, 8);
// 8*24 = 192
TS_ASSERT_EQUALS(events.size(), 192);
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const std::vector<coord_t> ref = {4366,
4366,
0,
0,
-0.09776273f,
-0.09776273f,
0.10005156f,
31461,
31461,
0,
1,
-0.15959044f,
-0.15959044f,
0.14884006f,
33314,
33314,
0,
2,
-0.224231616093f,
-0.224231616093f,
0.189927174618f,
32369,
32369,
0,
3,
-0.291194311172f,
-0.291194311172f,
0.223000198347f,
31851,
31851,
0,
4,
-0.359968893923f,
-0.359968893923f,
0.247807429194f,
30221,
30221,
0,
5,
-0.430031948245f,
-0.430031948245f,
0.264160069153f,
26267,
26267,
0,
6,
-0.500850251989f,
-0.500850251989f,
0.271933664761f,
26788,
26788,
0,
7,
-0.571884835101f,
-0.571884835101f,
0.27106905426f,
29729,
29729,
0,
8,
-0.642595081514f,
-0.642595081514f,
0.26157281786f,
30188,
30188,
0,
9,
-0.712442843555f,
-0.712442843555f,
0.243517227652f,
28116,
28116,
0,
10,
-0.78089653758f,
-0.78089653758f,
0.217039697581f,
30277,
30277,
0,
11,
-0.847435189645f,
-0.847435189645f,
0.182341737639f,
20231,
20231,
0,
12,
-0.911552400429f,
-0.911552400429f,
0.13968742025f,
24538,
24538,
0,
13,
-0.972760199244f,
-0.972760199244f,
0.089401370527f,
16416,
16416,
0,
14,
-1.03059275778f,
-1.03059275778f,
0.0318662956709f,
20225,
20225,
0,
15,
-1.08460993535f,
-1.08460993535f,
-0.0324799276578f,
19957,
19957,
0,
16,
-1.13440062862f,
-1.13440062862f,
-0.103147585846f,
19570,
19570,
0,
17,
-1.17958590034f,
-1.17958590034f,
-0.179598855345f,
20743,
20743,
0,
18,
-1.21982186332f,
-1.21982186332f,
-0.261251895832f,
22758,
22758,
0,
19,
-1.25480229757f,
-1.25480229757f,
-0.347485278364f,
23001,
23001,
0,
20,
-1.28426098088f,
-1.28426098088f,
-0.437642714831f,
21836,
21836,
0,
21,
-1.30797371487f,
-1.30797371487f,
-0.531038052704f,
23877,
23877,
0,
22,
-1.32576003133f,
-1.32576003133f,
-0.626960497068f,
13340,
13340,
0,
23,
-1.33748456564f,
-1.33748456564f,
-0.724680020201f};
for (auto i = 0; i < 192; i++) {
TS_ASSERT_DELTA(events[i], ref[i], d);
}
AnalysisDataService::Instance().remove(outWSName);
}
void test_NormWSStructure() {
std::string outWSName("LoadDNSSCDTest_OutputWS");
std::string normWSName("LoadDNSSCDTest_OutputWS_norm");
LoadDNSSCD alg;
TS_ASSERT_THROWS_NOTHING(alg.initialize());
TS_ASSERT(alg.isInitialized());
TS_ASSERT_THROWS_NOTHING(alg.setPropertyValue("Filenames", m_fileName));
TS_ASSERT_THROWS_NOTHING(
alg.setPropertyValue("OutputWorkspace", outWSName));
TS_ASSERT_THROWS_NOTHING(
alg.setPropertyValue("NormalizationWorkspace", normWSName));
TS_ASSERT_THROWS_NOTHING(alg.setProperty("Normalization", "monitor"));
TS_ASSERT_THROWS_NOTHING(alg.setProperty("DeltaEmin", "-2.991993"));
TS_ASSERT_THROWS_NOTHING(alg.execute(););
TS_ASSERT(alg.isExecuted());
// Retrieve the workspace from data service.
IMDEventWorkspace_sptr nws;
TS_ASSERT_THROWS_NOTHING(
nws = AnalysisDataService::Instance().retrieveWS<IMDEventWorkspace>(
normWSName));
TS_ASSERT(nws);
TS_ASSERT_EQUALS(nws->getNumDims(), 4);
TS_ASSERT_EQUALS(nws->getNPoints(), 24);
TS_ASSERT_EQUALS(nws->id(), "MDEventWorkspace<MDEvent,4>");
// test box controller
BoxController_sptr bc = nws->getBoxController();
TS_ASSERT(bc);
TS_ASSERT_EQUALS(bc->getNumMDBoxes().size(), 6);
// test dimensions
std::vector<std::string> v = {"H", "K", "L", "DeltaE"};
for (auto i = 0; i < 4; i++) {
auto dim = nws->getDimension(i);
TS_ASSERT(dim);
TS_ASSERT_EQUALS(dim->getName(), v[i]);
TS_ASSERT_EQUALS(dim->getNBins(), 5);
double d(1.0e-05);
TS_ASSERT_DELTA(dim->getMinimum(), -2.991993, d);
if (i < 3) {
TS_ASSERT_DELTA(dim->getMaximum(), 2.991993, d);
} else {
TS_ASSERT_DELTA(dim->getMaximum(), 4.637426, d);
}
AnalysisDataService::Instance().remove(normWSName);
}
void test_NormMonitor() {
// test whether the metadata were loaded correctly
std::string outWSName("LoadDNSSCDTest_OutputWS");
std::string normWSName("LoadDNSSCDTest_OutputWS_norm");
LoadDNSSCD alg;
TS_ASSERT_THROWS_NOTHING(alg.initialize());
TS_ASSERT(alg.isInitialized());
TS_ASSERT_THROWS_NOTHING(alg.setPropertyValue("Filenames", m_fileName));
TS_ASSERT_THROWS_NOTHING(
alg.setPropertyValue("OutputWorkspace", outWSName));
TS_ASSERT_THROWS_NOTHING(
alg.setPropertyValue("NormalizationWorkspace", normWSName));
TS_ASSERT_THROWS_NOTHING(alg.setProperty("Normalization", "monitor"));
TS_ASSERT_THROWS_NOTHING(alg.setProperty("a", 6.84));
TS_ASSERT_THROWS_NOTHING(alg.setProperty("b", 6.84));
TS_ASSERT_THROWS_NOTHING(alg.setProperty("c", 4.77));
TS_ASSERT_THROWS_NOTHING(alg.setProperty("alpha", 90.0));
TS_ASSERT_THROWS_NOTHING(alg.setProperty("beta", 90.0));
TS_ASSERT_THROWS_NOTHING(alg.setProperty("gamma", 120.0));
TS_ASSERT_THROWS_NOTHING(alg.setProperty("OmegaOffset", -43.0));
TS_ASSERT_THROWS_NOTHING(alg.setProperty("HKL1", "1,1,0"));
TS_ASSERT_THROWS_NOTHING(alg.setProperty("HKL2", "0,0,1"));
TS_ASSERT_THROWS_NOTHING(alg.execute(););
TS_ASSERT(alg.isExecuted());
// Retrieve the workspace from data service.
IMDEventWorkspace_sptr nws;
TS_ASSERT_THROWS_NOTHING(
nws = AnalysisDataService::Instance().retrieveWS<IMDEventWorkspace>(
normWSName));
TS_ASSERT(nws);
std::vector<API::IMDNode *> boxes(0, nullptr);
nws->getBoxes(boxes, 10000, false);
TSM_ASSERT_EQUALS("Number of boxes", boxes.size(), 1);
API::IMDNode *box = boxes[0];
// there are 24 points in the data file
TS_ASSERT_EQUALS(box->getNPoints(), 24);
std::vector<coord_t> events;
size_t ncols;
box->getEventsData(events, ncols);
// 8 columns: I, err^2, run_num, det_id, h, k, l, dE
TS_ASSERT_EQUALS(ncols, 8);
// 8*24 = 192
TS_ASSERT_EQUALS(events.size(), 192);
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const std::vector<coord_t> ref = {8332872,
8332872,
0,
0,
-0.09776273f,
-0.09776273f,
0.10005156f,
8332872,
8332872,
0,
1,
-0.15959044f,
-0.15959044f,
0.14884006f,
8332872,
8332872,
0,
2,
-0.224231616093f,
-0.224231616093f,
0.189927174618f,
8332872,
8332872,
0,
3,
-0.291194311172f,
-0.291194311172f,
0.223000198347f,
8332872,
8332872,
0,
4,
-0.359968893923f,
-0.359968893923f,
0.247807429194f,
8332872,
8332872,
0,
5,
-0.430031948245f,
-0.430031948245f,
0.264160069153f,
8332872,
8332872,
0,
6,
-0.500850251989f,
-0.500850251989f,
0.271933664761f,
8332872,
8332872,
0,
7,
-0.571884835101f,
-0.571884835101f,
0.27106905426f,
8332872,
8332872,
0,
8,
-0.642595081514f,
-0.642595081514f,
0.26157281786f,
8332872,
8332872,
0,
9,
-0.712442843555f,
-0.712442843555f,
0.243517227652f,
8332872,
8332872,
0,
10,
-0.78089653758f,
-0.78089653758f,
0.217039697581f,
8332872,
8332872,
0,
11,
-0.847435189645f,
-0.847435189645f,
0.182341737639f,
8332872,
8332872,
0,
12,
-0.911552400429f,
-0.911552400429f,
0.13968742025f,
8332872,
8332872,
0,
13,
-0.972760199244f,
-0.972760199244f,
0.089401370527f,
8332872,
8332872,
0,
14,
-1.03059275778f,
-1.03059275778f,
0.0318662956709f,
8332872,
8332872,
0,
15,
-1.08460993535f,
-1.08460993535f,
-0.0324799276578f,
8332872,
8332872,
0,
16,
-1.13440062862f,
-1.13440062862f,
-0.103147585846f,
8332872,
8332872,
0,
17,
-1.17958590034f,
-1.17958590034f,
-0.179598855345f,
8332872,
8332872,
0,
18,
-1.21982186332f,
-1.21982186332f,
-0.261251895832f,
8332872,
8332872,
0,
19,
-1.25480229757f,
-1.25480229757f,
-0.347485278364f,
8332872,
8332872,
0,
20,
-1.28426098088f,
-1.28426098088f,
-0.437642714831f,
8332872,
8332872,
0,
21,
-1.30797371487f,
-1.30797371487f,
-0.531038052704f,
8332872,
8332872,
0,
22,
-1.32576003133f,
-1.32576003133f,
-0.626960497068f,
8332872,
8332872,
0,
23,
-1.33748456564f,
-1.33748456564f,
-0.724680020201f};
for (auto i = 0; i < 192; i++) {
TS_ASSERT_DELTA(events[i], ref[i], d);
}
AnalysisDataService::Instance().remove(normWSName);
}
void test_NormTime() {
// test whether the metadata were loaded correctly
std::string outWSName("LoadDNSSCDTest_OutputWS");
std::string normWSName("LoadDNSSCDTest_OutputWS_norm");
LoadDNSSCD alg;
TS_ASSERT_THROWS_NOTHING(alg.initialize());
TS_ASSERT(alg.isInitialized());
TS_ASSERT_THROWS_NOTHING(alg.setPropertyValue("Filenames", m_fileName));
TS_ASSERT_THROWS_NOTHING(
alg.setPropertyValue("OutputWorkspace", outWSName));
TS_ASSERT_THROWS_NOTHING(
alg.setPropertyValue("NormalizationWorkspace", normWSName));
TS_ASSERT_THROWS_NOTHING(alg.setProperty("Normalization", "time"));
TS_ASSERT_THROWS_NOTHING(alg.setProperty("a", 6.84));
TS_ASSERT_THROWS_NOTHING(alg.setProperty("b", 6.84));
TS_ASSERT_THROWS_NOTHING(alg.setProperty("c", 4.77));
TS_ASSERT_THROWS_NOTHING(alg.setProperty("alpha", 90.0));
TS_ASSERT_THROWS_NOTHING(alg.setProperty("beta", 90.0));
TS_ASSERT_THROWS_NOTHING(alg.setProperty("gamma", 120.0));
TS_ASSERT_THROWS_NOTHING(alg.setProperty("OmegaOffset", -43.0));
TS_ASSERT_THROWS_NOTHING(alg.setProperty("HKL1", "1,1,0"));
TS_ASSERT_THROWS_NOTHING(alg.setProperty("HKL2", "0,0,1"));
TS_ASSERT_THROWS_NOTHING(alg.execute(););
TS_ASSERT(alg.isExecuted());
// Retrieve the workspace from data service.
IMDEventWorkspace_sptr nws;
TS_ASSERT_THROWS_NOTHING(
nws = AnalysisDataService::Instance().retrieveWS<IMDEventWorkspace>(
normWSName));
TS_ASSERT(nws);
std::vector<API::IMDNode *> boxes(0, nullptr);
nws->getBoxes(boxes, 10000, false);
TSM_ASSERT_EQUALS("Number of boxes", boxes.size(), 1);
API::IMDNode *box = boxes[0];
// there are 24 points in the data file
TS_ASSERT_EQUALS(box->getNPoints(), 24);
std::vector<coord_t> events;
size_t ncols;
box->getEventsData(events, ncols);
// 8 columns: I, err^2, run_num, det_id, h, k, l, dE
TS_ASSERT_EQUALS(ncols, 8);
// 8*24 = 192
TS_ASSERT_EQUALS(events.size(), 192);
600, 0, 0, 0, -0.09776273f, -0.09776273f, 0.10005156f,
600, 0, 0, 1, -0.15959044f, -0.15959044f, 0.14884006f,
600, 0, 0, 2, -0.224231616093f, -0.224231616093f, 0.189927174618f,
600, 0, 0, 3, -0.291194311172f, -0.291194311172f, 0.223000198347f,
600, 0, 0, 4, -0.359968893923f, -0.359968893923f, 0.247807429194f,
600, 0, 0, 5, -0.430031948245f, -0.430031948245f, 0.264160069153f,
600, 0, 0, 6, -0.500850251989f, -0.500850251989f, 0.271933664761f,
600, 0, 0, 7, -0.571884835101f, -0.571884835101f, 0.27106905426f,
600, 0, 0, 8, -0.642595081514f, -0.642595081514f, 0.26157281786f,
600, 0, 0, 9, -0.712442843555f, -0.712442843555f, 0.243517227652f,
600, 0, 0, 10, -0.78089653758f, -0.78089653758f, 0.217039697581f,
600, 0, 0, 11, -0.847435189645f, -0.847435189645f, 0.182341737639f,
600, 0, 0, 12, -0.911552400429f, -0.911552400429f, 0.13968742025f,
600, 0, 0, 13, -0.972760199244f, -0.972760199244f, 0.089401370527f,
600, 0, 0, 14, -1.03059275778f, -1.03059275778f, 0.0318662956709f,
600, 0, 0, 15, -1.08460993535f, -1.08460993535f, -0.0324799276578f,
600, 0, 0, 16, -1.13440062862f, -1.13440062862f, -0.103147585846f,
600, 0, 0, 17, -1.17958590034f, -1.17958590034f, -0.179598855345f,
600, 0, 0, 18, -1.21982186332f, -1.21982186332f, -0.261251895832f,
600, 0, 0, 19, -1.25480229757f, -1.25480229757f, -0.347485278364f,
600, 0, 0, 20, -1.28426098088f, -1.28426098088f, -0.437642714831f,
600, 0, 0, 21, -1.30797371487f, -1.30797371487f, -0.531038052704f,
600, 0, 0, 22, -1.32576003133f, -1.32576003133f, -0.626960497068f,
600, 0, 0, 23, -1.33748456564f, -1.33748456564f, -0.724680020201f};
for (auto i = 0; i < 192; i++) {
TS_ASSERT_DELTA(events[i], ref[i], d);
}
AnalysisDataService::Instance().remove(normWSName);
}
void test_SaveHuber() {
std::string outWSName("LoadDNSSCDTest_OutputWS");
std::string normWSName("LoadDNSSCDTest_OutputWS_norm");
std::string tWSName("LoadDNSSCDTest_Huber");
LoadDNSSCD alg;
TS_ASSERT_THROWS_NOTHING(alg.initialize());
TS_ASSERT(alg.isInitialized());
TS_ASSERT_THROWS_NOTHING(alg.setPropertyValue("Filenames", m_fileName));
TS_ASSERT_THROWS_NOTHING(
alg.setPropertyValue("OutputWorkspace", outWSName));
TS_ASSERT_THROWS_NOTHING(
alg.setPropertyValue("NormalizationWorkspace", normWSName));
TS_ASSERT_THROWS_NOTHING(alg.setProperty("Normalization", "monitor"));
TS_ASSERT_THROWS_NOTHING(alg.setProperty("SaveHuberTo", tWSName));
TS_ASSERT_THROWS_NOTHING(alg.execute(););
TS_ASSERT(alg.isExecuted());
// Retrieve the workspace from data service.
ITableWorkspace_sptr tws;
TS_ASSERT_THROWS_NOTHING(
tws = AnalysisDataService::Instance().retrieveWS<ITableWorkspace>(
tWSName));
TS_ASSERT(tws);
// check that workspace has 1 row and 1 column
TS_ASSERT_EQUALS(tws->rowCount(), 1);
TS_ASSERT_EQUALS(tws->columnCount(), 1);
std::vector<std::string> columnNames = {"Huber(degrees)"};
TS_ASSERT_EQUALS(tws->getColumnNames(), columnNames);
// test the value
TS_ASSERT_DELTA(tws->cell<double>(0, 0), 79.0, 1.0e-06);
AnalysisDataService::Instance().remove(tWSName);
}
void test_LoadHuber() {
std::string outWSName("LoadDNSSCDTest_OutputWS");
std::string normWSName("LoadDNSSCDTest_OutputWS_norm");
std::string tWSName2("LoadDNSSCDTest_Huber_save");
std::string tWSName1("LoadDNSSCDTest_Huber_load");
// create a test table workspace
ITableWorkspace_sptr huberWS =
WorkspaceFactory::Instance().createTable("TableWorkspace");
huberWS->addColumn("double", "Huber(degrees)");
const std::vector<double> vals = {77.0, 92.0, 122.0};
auto n = vals.size();
for (size_t i = 0; i < n; i++) {
huberWS->appendRow();
huberWS->cell<double>(i, 0) = vals[i];
}
AnalysisDataService::Instance().add(tWSName1, huberWS);
// run the algorithm
LoadDNSSCD alg;
TS_ASSERT_THROWS_NOTHING(alg.initialize());
TS_ASSERT(alg.isInitialized());
TS_ASSERT_THROWS_NOTHING(alg.setPropertyValue("Filenames", m_fileName));
TS_ASSERT_THROWS_NOTHING(
alg.setPropertyValue("OutputWorkspace", outWSName));
TS_ASSERT_THROWS_NOTHING(
alg.setPropertyValue("NormalizationWorkspace", normWSName));
TS_ASSERT_THROWS_NOTHING(alg.setProperty("Normalization", "monitor"));
TS_ASSERT_THROWS_NOTHING(alg.setProperty("LoadHuberFrom", tWSName1));
TS_ASSERT_THROWS_NOTHING(alg.setProperty("SaveHuberTo", tWSName2));
TS_ASSERT_THROWS_NOTHING(alg.execute(););
TS_ASSERT(alg.isExecuted());
// Retrieve the workspace from data service.
IMDEventWorkspace_sptr iws;
TS_ASSERT_THROWS_NOTHING(
iws = AnalysisDataService::Instance().retrieveWS<IMDEventWorkspace>(
outWSName));
TS_ASSERT(iws);
TS_ASSERT_EQUALS(iws->getNumDims(), 4);
// data should be replicated for each huber value
TS_ASSERT_EQUALS(iws->getNPoints(), 24 * n);
// Retrieve the table workspace from data service.
ITableWorkspace_sptr tws;
TS_ASSERT_THROWS_NOTHING(
tws = AnalysisDataService::Instance().retrieveWS<ITableWorkspace>(
tWSName2));
TS_ASSERT(tws);
// check that workspace has 1 row and 1 column
TS_ASSERT_EQUALS(tws->rowCount(), n);
TS_ASSERT_EQUALS(tws->columnCount(), 1);
std::vector<std::string> columnNames = {"Huber(degrees)"};
TS_ASSERT_EQUALS(tws->getColumnNames(), columnNames);
// test the values
for (size_t i = 0; i < n; i++)
TS_ASSERT_DELTA(tws->cell<double>(i, 0), vals[i], 1.0e-06);
AnalysisDataService::Instance().remove(tWSName1);
AnalysisDataService::Instance().remove(tWSName2);
AnalysisDataService::Instance().remove(outWSName);
}
void test_2ThetaLimits() {
// test whether the scattering angle limits work correctly
std::string outWSName("LoadDNSSCDTest_OutputWS");
std::string normWSName("LoadDNSSCDTest_OutputWS_norm");
LoadDNSSCD alg;
TS_ASSERT_THROWS_NOTHING(alg.initialize());
TS_ASSERT(alg.isInitialized());
TS_ASSERT_THROWS_NOTHING(alg.setPropertyValue("Filenames", m_fileName));
TS_ASSERT_THROWS_NOTHING(
alg.setPropertyValue("OutputWorkspace", outWSName));
TS_ASSERT_THROWS_NOTHING(
alg.setPropertyValue("NormalizationWorkspace", normWSName));
TS_ASSERT_THROWS_NOTHING(alg.setProperty("Normalization", "monitor"));
TS_ASSERT_THROWS_NOTHING(alg.setProperty("a", 6.84));
TS_ASSERT_THROWS_NOTHING(alg.setProperty("b", 6.84));
TS_ASSERT_THROWS_NOTHING(alg.setProperty("c", 4.77));
TS_ASSERT_THROWS_NOTHING(alg.setProperty("alpha", 90.0));
TS_ASSERT_THROWS_NOTHING(alg.setProperty("beta", 90.0));
TS_ASSERT_THROWS_NOTHING(alg.setProperty("gamma", 120.0));
TS_ASSERT_THROWS_NOTHING(alg.setProperty("OmegaOffset", -43.0));
TS_ASSERT_THROWS_NOTHING(alg.setProperty("HKL1", "1,1,0"));
TS_ASSERT_THROWS_NOTHING(alg.setProperty("HKL2", "0,0,1"));
TS_ASSERT_THROWS_NOTHING(alg.setProperty("TwoThetaLimits", "20.0,55.0"));
TS_ASSERT_THROWS_NOTHING(alg.execute(););
TS_ASSERT(alg.isExecuted());
// Retrieve the workspace from data service.
IMDEventWorkspace_sptr iws;
TS_ASSERT_THROWS_NOTHING(
iws = AnalysisDataService::Instance().retrieveWS<IMDEventWorkspace>(
outWSName));
TS_ASSERT(iws);
std::vector<API::IMDNode *> boxes(0, nullptr);
iws->getBoxes(boxes, 10000, false);
TSM_ASSERT_EQUALS("Number of boxes", boxes.size(), 1);
API::IMDNode *box = boxes[0];
// there are 7 points (the rest is outside of 2theta limits)
TS_ASSERT_EQUALS(box->getNPoints(), 7);
std::vector<coord_t> events;
size_t ncols;
box->getEventsData(events, ncols);
// 8 columns: I, err^2, run_num, det_id, h, k, l, dE
TS_ASSERT_EQUALS(ncols, 8);
// 8*7 = 56
TS_ASSERT_EQUALS(events.size(), 56);
939
940
941
942
943
944
945
946
947
948
949
950
951
952
953
954
955
956
957
958
959
960
961
962
963
964
965
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967
968
969
970
971
972
973
974
975
976
977
978
979
980
981
982
983
984
985
986
987
const std::vector<coord_t> ref = {32369,
32369,
0,
3,
-0.291194311172f,
-0.291194311172f,
0.223000198347f,
31851,
31851,
0,
4,
-0.359968893923f,
-0.359968893923f,
0.247807429194f,
30221,
30221,
0,
5,
-0.430031948245f,
-0.430031948245f,
0.264160069153f,
26267,
26267,
0,
6,
-0.500850251989f,
-0.500850251989f,
0.271933664761f,
26788,
26788,
0,
7,
-0.571884835101f,
-0.571884835101f,
0.27106905426f,
29729,
29729,
0,
8,
-0.642595081514f,
-0.642595081514f,
0.26157281786f,
30188,
30188,
0,
9,
-0.712442843555f,
-0.712442843555f,
0.243517227652f};
for (auto i = 0; i < 56; i++) {
TS_ASSERT_DELTA(events[i], ref[i], d);
}
AnalysisDataService::Instance().remove(outWSName);
// test the normalization workspace as well
IMDEventWorkspace_sptr nws;
TS_ASSERT_THROWS_NOTHING(
nws = AnalysisDataService::Instance().retrieveWS<IMDEventWorkspace>(
normWSName));
TS_ASSERT(nws);
// there are 7 points (the rest is outside of 2theta limits)
TS_ASSERT_EQUALS(nws->getNPoints(), 7);
AnalysisDataService::Instance().remove(normWSName);
}
void test_TOFWSStructure() {
std::string outWSName("LoadDNSSCDTest_OutputWS");
std::string normWSName("LoadDNSSCDTest_OutputWS_norm");
LoadDNSSCD alg;
TS_ASSERT_THROWS_NOTHING(alg.initialize());
TS_ASSERT(alg.isInitialized());
TS_ASSERT_THROWS_NOTHING(alg.setPropertyValue("Filenames", "dnstof.d_dat"));
TS_ASSERT_THROWS_NOTHING(
alg.setPropertyValue("OutputWorkspace", outWSName));
TS_ASSERT_THROWS_NOTHING(
alg.setPropertyValue("NormalizationWorkspace", normWSName));
TS_ASSERT_THROWS_NOTHING(alg.setProperty("Normalization", "monitor"));
TS_ASSERT_THROWS_NOTHING(alg.setProperty("DeltaEmin", "-2.991993"));
TS_ASSERT_THROWS_NOTHING(alg.execute(););
TS_ASSERT(alg.isExecuted());
// Retrieve the workspace from data service.
IMDEventWorkspace_sptr iws;
TS_ASSERT_THROWS_NOTHING(
iws = AnalysisDataService::Instance().retrieveWS<IMDEventWorkspace>(
outWSName));
TS_ASSERT(iws);
TS_ASSERT_EQUALS(iws->getNumDims(), 4);
TS_ASSERT_EQUALS(iws->getNPoints(), 1968);
TS_ASSERT_EQUALS(iws->id(), "MDEventWorkspace<MDEvent,4>");
// test some metadata
TS_ASSERT_EQUALS(iws->getNumExperimentInfo(), 1);
ExperimentInfo_sptr expinfo = iws->getExperimentInfo(0);
auto &run = expinfo->run();
TimeSeriesProperty<double> *p = dynamic_cast<TimeSeriesProperty<double> *>(
run.getProperty("TOF channels"));
TS_ASSERT_DELTA(p->firstValue(), 100, 1.0e-05);
p = dynamic_cast<TimeSeriesProperty<double> *>(
run.getProperty("Time per channel"));
TS_ASSERT_DELTA(p->firstValue(), 40.1, 1.0e-05);
// test box controller
BoxController_sptr bc = iws->getBoxController();
TS_ASSERT(bc);
TS_ASSERT_EQUALS(bc->getNumMDBoxes().size(), 6);
// test dimensions
std::vector<std::string> v = {"H", "K", "L", "DeltaE"};
for (auto i = 0; i < 4; i++) {
auto dim = iws->getDimension(i);
TS_ASSERT(dim);
TS_ASSERT_EQUALS(dim->getName(), v[i]);
TS_ASSERT_EQUALS(dim->getNBins(), 5);
double d(1.0e-05);
TS_ASSERT_DELTA(dim->getMinimum(), -2.991993, d);
if (i < 3) {
TS_ASSERT_DELTA(dim->getMaximum(), 2.991993, d);
} else {
TS_ASSERT_DELTA(dim->getMaximum(), 4.637426, d);
1062
1063
1064
1065
1066
1067
1068
1069
1070
1071
1072
1073
1074
1075
1076
1077
1078
1079
1080
1081
1082
1083
1084
1085
1086
1087
1088
1089
1090
1091
1092
1093
}
}
AnalysisDataService::Instance().remove(outWSName);
}
void test_TOFWSData() {
// test whether the calculation for inelastic data are correct
std::string outWSName("LoadDNSSCDTest_OutputWS");
std::string normWSName("LoadDNSSCDTest_OutputWS_norm");
LoadDNSSCD alg;
TS_ASSERT_THROWS_NOTHING(alg.initialize());
TS_ASSERT(alg.isInitialized());
TS_ASSERT_THROWS_NOTHING(alg.setPropertyValue("Filenames", "dnstof.d_dat"));
TS_ASSERT_THROWS_NOTHING(
alg.setPropertyValue("OutputWorkspace", outWSName));
TS_ASSERT_THROWS_NOTHING(
alg.setPropertyValue("NormalizationWorkspace", normWSName));
TS_ASSERT_THROWS_NOTHING(alg.setProperty("Normalization", "monitor"));
TS_ASSERT_THROWS_NOTHING(alg.setProperty("a", 3.55));
TS_ASSERT_THROWS_NOTHING(alg.setProperty("b", 3.55));
TS_ASSERT_THROWS_NOTHING(alg.setProperty("c", 24.778));
TS_ASSERT_THROWS_NOTHING(alg.setProperty("alpha", 90.0));
TS_ASSERT_THROWS_NOTHING(alg.setProperty("beta", 90.0));
TS_ASSERT_THROWS_NOTHING(alg.setProperty("gamma", 120.0));
TS_ASSERT_THROWS_NOTHING(alg.setProperty("OmegaOffset", 0.0));
TS_ASSERT_THROWS_NOTHING(alg.setProperty("HKL1", "1,1,0"));
TS_ASSERT_THROWS_NOTHING(alg.setProperty("HKL2", "0,0,1"));
TS_ASSERT_THROWS_NOTHING(alg.setProperty("TwoThetaLimits", "20.0,55.0"));
TS_ASSERT_THROWS_NOTHING(alg.setProperty("DeltaEmin", "-3.0"));
TS_ASSERT_THROWS_NOTHING(alg.execute(););
TS_ASSERT(alg.isExecuted());
// Retrieve the workspace from data service.
IMDEventWorkspace_sptr iws;
TS_ASSERT_THROWS_NOTHING(
iws = AnalysisDataService::Instance().retrieveWS<IMDEventWorkspace>(
outWSName));
TS_ASSERT(iws);
std::vector<API::IMDNode *> boxes(0, NULL);
iws->getBoxes(boxes, 10000, false);
TSM_ASSERT_EQUALS("Number of boxes", boxes.size(), 1);
API::IMDNode *box = boxes[0];
// there are 7 points (the rest is outside of 2theta limits)
TS_ASSERT_EQUALS(box->getNPoints(), 574);
std::vector<coord_t> events;
size_t ncols;
box->getEventsData(events, ncols);
// 8 columns: I, err^2, run_num, det_id, h, k, l, dE
TS_ASSERT_EQUALS(ncols, 8);
// 8*574 = 4592
TS_ASSERT_EQUALS(events.size(), 4592);
// reference vector, EPP is wrong, since no elastic channel is given
const std::vector<coord_t> ref = {
1118
1119
1120
1121
1122
1123
1124
1125
1126
1127
1128
1129
1130
1131
1132
1133
1134
1135
1136
1137
1138
1139
1140
1141
1142
1143
1144
1145
1146
1147
1148
1149
1150
1151
1152
1153
1154
1155
1156
1157
1158
1159
1160
1161
1162
1163
1164
1165
1166
1167
1168
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1170
1171
1172
1173
1174
1175
1176
1177
1178
1179
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1181
1182
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1184
1185
1186
1187
1188
1189
1190
1191
1192
1193
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1196
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1198
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1200
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1221
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1225
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1228
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1230
1231
1232
1233
1234
1235
1236
1237
1238
1239
1240
1241
1242
1243
1244
1245
1246
1247
1248
1249
1250
1251
1252
1253
0, 0, 0, 3, -0.0943541043211f, -0.0943541043211f, 2.51817307323f,
-2.22473993186f, // 0
0, 0, 0, 3, -0.105491719946f, -0.105491719946f, 2.18460421817f,
-1.53897441518f, // 1
0, 0, 0, 3, -0.115542738924f, -0.115542738924f, 1.88357866605f,
-0.951095651067f, // 2
0, 0, 0, 3, -0.124658779393f, -0.124658779393f, 1.61055549086f,
-0.443322919741f, // 3
0, 0, 0, 3, -0.132964505153f, -0.132964505153f, 1.36180104236f,
-0.00173676689289f, // 4
0, 0, 0, 3, -0.140563360636f, -0.140563360636f, 1.13421718522f,
0.384685191257f, // 5
0, 0, 0, 3, -0.147541901385f, -0.147541901385f, 0.925211602133f,
0.724762824962f, // 6
0, 0, 0, 3, -0.153973105606f, -0.153973105606f, 0.732598613797f,
1.02562126597f, // 7
0, 0, 0, 3, -0.159918935922f, -0.159918935922f, 0.55452245477f,
1.29306717609f, // 8
0, 0, 0, 3, -0.165432342216f, -0.165432342216f, 0.389397289126f,
1.53187104043f, // 9
0, 0, 0, 3, -0.170558842805f, -0.170558842805f, 0.235859854405f,
1.7459813825f, // 10
0, 0, 0, 3, -0.175337784032f, -0.175337784032f, 0.0927317372921f,
1.93868903792f, // 11
0, 0, 0, 3, -0.179803352064f, -0.179803352064f, -0.0410109295185f,
2.11275436309f, // 12
0, 0, 0, 3, -0.183985391967f, -0.183985391967f, -0.166261998436f,
2.27050663742f, // 13
0, 0, 0, 3, -0.187910075568f, -0.187910075568f, -0.283805309267f,
2.41392239469f, // 14
0, 0, 0, 3, -0.1916004497f, -0.1916004497f, -0.394331109003f,
2.54468763779f, // 15
0, 0, 0, 3, -0.1950768891f, -0.1950768891f, -0.498449616001f,
2.664247618f, // 16
0, 0, 0, 3, -0.198357472759f, -0.198357472759f, -0.596702291619f,
2.77384694056f, // 17
0, 0, 0, 3, -0.20145829841f, -0.20145829841f, -0.689571258983f,
2.87456208674f, // 18
0, 0, 0, 3, -0.204393746692f, -0.204393746692f, -0.777487214755f,
2.96732794808f, // 19
0, 0, 0, 3, -0.207176704155f, -0.207176704155f, -0.86083610789f,
3.05295960034f, // 20
0, 0, 0, 3, -0.209818752378f, -0.209818752378f, -0.939964803903f,
3.13217026882f, // 21
0, 0, 0, 3, -0.212330329085f, -0.212330329085f, -1.01518590999f,
3.20558622767f, // 22
0, 0, 0, 3, -0.214720865951f, -0.214720865951f, -1.08678190253f,
3.27375921711f, // 23
0, 0, 0, 3, -0.216998906964f, -0.216998906964f, -1.15500867189f,
3.33717683991f, // 24
0, 0, 0, 3, -0.219172210459f, -0.219172210459f, -1.2200985783f,
3.39627130464f, // 25
0, 0, 0, 3, -0.221247837392f, -0.221247837392f, -1.28226309565f,
3.45142680925f, // 26
0, 0, 0, 3, -0.223232227977f, -0.223232227977f, -1.34169510674f,
3.5029858015f, // 27
0, 0, 0, 3, -0.225131268429f, -0.225131268429f, -1.39857090231f,
3.55125430721f, // 28
0, 0, 0, 3, -0.226950349283f, -0.226950349283f, -1.45305192753f,
3.59650648186f, // 29
0, 0, 0, 3, -0.228694416494f, -0.228694416494f, -1.50528631254f,
3.63898851198f, // 30
0, 0, 0, 3, -0.230368016343f, -0.230368016343f, -1.55541021734f,
3.67892197067f, // 31
0, 0, 0, 3, -0.231975335009f, -0.231975335009f, -1.60354901701f,
3.71650671254f, // 32
0, 0, 0, 3, -0.233520233533f, -0.233520233533f, -1.64981834872f,
3.75192337916f, // 33
0, 0, 0, 3, -0.23500627878f, -0.23500627878f, -1.69432503923f,
3.78533557363f, // 34
0, 0, 0, 3, -0.236436770934f, -0.236436770934f, -1.73716792823f,
3.81689175332f, // 35
0, 0, 0, 3, -0.237814767963f, -0.237814767963f, -1.77843860111f,
3.84672688183f, // 36
0, 0, 0, 3, -0.239143107441f, -0.239143107441f, -1.81822204254f,
3.87496387446f, // 37
0, 0, 0, 3, -0.240424426052f, -0.240424426052f, -1.85659722056f,
3.90171486617f, // 38
0, 0, 0, 3, -0.24166117706f, -0.24166117706f, -1.89363760977f,
3.92708232664f, // 39
0, 0, 0, 3, -0.242855645982f, -0.242855645982f, -1.92941166089f,
3.95116004298f, // 40
1, 1, 0, 3, -0.244009964688f, -0.244009964688f, -1.9639832229f,
3.97403398783f, // 41
1, 1, 0, 3, -0.245126124099f, -0.245126124099f, -1.99741192336f,
3.99578308789f, // 42
0, 0, 0, 3, -0.246205985642f, -0.246205985642f, -2.0297535116f,
4.01647990566f, 2, 2, 0, 3, -0.247251291615f, -0.247251291615f,
-2.06106016902f, 4.03619124547f, 0, 0, 0, 3, -0.248263674566f,
-0.248263674566f, -2.09138078999f, 4.05497869322f, 2, 2, 0, 3,
-0.249244665798f, -0.249244665798f, -2.12076123667f, 4.07289909803f, 6,
6, 0, 3, -0.250195703099f, -0.250195703099f, -2.14924457046f,
4.09000500276f, // EPP
3, 3, 0, 3, -0.251118137774f, -0.251118137774f, -2.17687126264f,
4.10634502964f, 0, 0, 0, 3, -0.252013241051f, -0.252013241051f,
-2.20367938617f, 4.12196422612f, 0, 0, 0, 3, -0.252882209926f,
-0.252882209926f, -2.22970479075f, 4.1369043757f, 0, 0, 0, 3,
-0.253726172503f, -0.253726172503f, -2.25498126284f, 4.15120427767f, 0,
0, 0, 3, -0.254546192879f, -0.254546192879f, -2.27954067188f,
4.16489999925f, 0, 0, 0, 3, -0.255343275622f, -0.255343275622f,
-2.30341310445f, 4.17802510323f, 0, 0, 0, 3, -0.256118369875f,
-0.256118369875f, -2.32662698715f, 4.19061085383f, 0, 0, 0, 3,
-0.256872373129f, -0.256872373129f, -2.34920919958f, 4.20268640299f, 0,
0, 0, 3, -0.257606134684f, -0.257606134684f, -2.37118517811f,
4.2142789594f, 0, 0, 0, 3, -0.258320458847f, -0.258320458847f,
-2.39257901152f, 4.22541394183f, 0, 0, 0, 3, -0.259016107869f,
-0.259016107869f, -2.41341352902f, 4.23611511866f, 0, 0, 0, 3,
-0.259693804658f, -0.259693804658f, -2.43371038155f, 4.24640473475f, 0,
0, 0, 3, -0.260354235286f, -0.260354235286f, -2.45349011683f,
4.25630362721f, 0, 0, 0, 3, -0.260998051308f, -0.260998051308f,
-2.4727722487f, 4.2658313309f, 0, 0, 0, 3, -0.2616258719f,
-0.2616258719f, -2.49157532139f, 4.27500617494f, 0, 0, 0, 3,
-0.262238285852f, -0.262238285852f, -2.50991696898f, 4.2838453709f, 0,
0, 0, 3, -0.262835853406f, -0.262835853406f, -2.52781397058f,
4.2923650936f, 0, 0, 0, 3, -0.263419107964f, -0.263419107964f,
-2.54528230147f, 4.30058055512f, 0, 0, 0, 3, -0.26398855768f,
-0.26398855768f, -2.56233718075f, 4.3085060728f, 0, 0, 0, 3,
-0.264544686935f, -0.264544686935f, -2.57899311548f, 4.31615513161f, 0,
0, 0, 3, -0.265087957711f, -0.265087957711f, -2.5952639419f,
4.32354044159f, 0, 0, 0, 3, -0.265618810868f, -0.265618810868f,
-2.61116286371f, 4.33067399066f, 0, 0, 0, 3, -0.266137667344f,
-0.266137667344f, -2.62670248786f, 4.33756709332f, 0, 0, 0, 3,
-0.266644929262f, -0.266644929262f, -2.64189485783f, 4.34423043551f, 0,
0, 0, 3, -0.267140980972f, -0.267140980972f, -2.65675148482f,
4.35067411606f, 0, 0, 0, 3, -0.267626190022f, -0.267626190022f,
-2.67128337679f, 4.35690768501f, 0, 0, 0, 3, -0.268100908065f,
-0.268100908065f, -2.6855010657f, 4.36294017896f, 0, 0, 0, 3,
-0.268565471711f, -0.268565471711f, -2.69941463291f, 4.3687801539f, 0,
0, 0, 3, -0.269020203322f, -0.269020203322f, -2.7130337331f,
4.37443571549f, 0, 0, 0, 3, -0.269465411759f, -0.269465411759f,
-2.72636761653f, 4.37991454727f, 0, 0, 0, 3, -0.269901393077f,
-0.269901393077f, -2.73942515004f, 4.38522393675f, 0, 0, 0, 3,
-0.27032843119f, -0.27032843119f, -2.75221483671f, 4.39037079963f, 0, 0,
0, 3, -0.270746798477f, -0.270746798477f, -2.76474483431f,
4.39536170235f, 0, 0, 0, 3, -0.271156756372f, -0.271156756372f,
-2.77702297266f, 4.40020288306f};
double d(1.0e-06);
sort_Events(events);
for (auto i = 0; i < 82 * 8; i++) {
TS_ASSERT_DELTA(events[i], ref[i], d);
AnalysisDataService::Instance().remove(outWSName);
// test the normalization workspace as well
IMDEventWorkspace_sptr nws;
TS_ASSERT_THROWS_NOTHING(
nws = AnalysisDataService::Instance().retrieveWS<IMDEventWorkspace>(
normWSName));
TS_ASSERT(nws);
// there are 7 histograms (the rest is outside of 2theta limits)
TS_ASSERT_EQUALS(nws->getNPoints(), 574);
AnalysisDataService::Instance().remove(normWSName);
void test_TOFWSDataRotateEPP() {
// test whether the calculation for inelastic data are correct
std::string outWSName("LoadDNSSCDTest_OutputWS");
std::string normWSName("LoadDNSSCDTest_OutputWS_norm");
LoadDNSSCD alg;
TS_ASSERT_THROWS_NOTHING(alg.initialize());
TS_ASSERT(alg.isInitialized());
TS_ASSERT_THROWS_NOTHING(alg.setPropertyValue("Filenames", "dnstof.d_dat"));
TS_ASSERT_THROWS_NOTHING(
alg.setPropertyValue("OutputWorkspace", outWSName));
TS_ASSERT_THROWS_NOTHING(
alg.setPropertyValue("NormalizationWorkspace", normWSName));
TS_ASSERT_THROWS_NOTHING(alg.setProperty("Normalization", "monitor"));
TS_ASSERT_THROWS_NOTHING(alg.setProperty("a", 3.55));
TS_ASSERT_THROWS_NOTHING(alg.setProperty("b", 3.55));
TS_ASSERT_THROWS_NOTHING(alg.setProperty("c", 24.778));
TS_ASSERT_THROWS_NOTHING(alg.setProperty("alpha", 90.0));
TS_ASSERT_THROWS_NOTHING(alg.setProperty("beta", 90.0));
TS_ASSERT_THROWS_NOTHING(alg.setProperty("gamma", 120.0));
TS_ASSERT_THROWS_NOTHING(alg.setProperty("OmegaOffset", -43.0));
TS_ASSERT_THROWS_NOTHING(alg.setProperty("HKL1", "1,1,0"));
TS_ASSERT_THROWS_NOTHING(alg.setProperty("HKL2", "0,0,1"));
TS_ASSERT_THROWS_NOTHING(alg.setProperty("TwoThetaLimits", "25.0,60.0"));
TS_ASSERT_THROWS_NOTHING(alg.setProperty("DeltaEmin", "-3.0"));
TS_ASSERT_THROWS_NOTHING(alg.setProperty("ElasticChannel", "64"));
TS_ASSERT_THROWS_NOTHING(alg.execute(););
TS_ASSERT(alg.isExecuted());
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// Retrieve the workspace from data service.
IMDEventWorkspace_sptr iws;
TS_ASSERT_THROWS_NOTHING(
iws = AnalysisDataService::Instance().retrieveWS<IMDEventWorkspace>(
outWSName));
TS_ASSERT(iws);
std::vector<API::IMDNode *> boxes(0, NULL);
iws->getBoxes(boxes, 10000, false);
TSM_ASSERT_EQUALS("Number of boxes", boxes.size(), 1);
API::IMDNode *box = boxes[0];
// there are 7 points (the rest is outside of 2theta limits)
TS_ASSERT_EQUALS(box->getNPoints(), 574);
std::vector<coord_t> events;
size_t ncols;
box->getEventsData(events, ncols);
// 8 columns: I, err^2, run_num, det_id, h, k, l, dE
TS_ASSERT_EQUALS(ncols, 8);
// 8*574 = 4592
TS_ASSERT_EQUALS(events.size(), 4592);
// reference vector, EPP should be near dE=0
const std::vector<coord_t> ref = {
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0, 0, 0, 4, 0.0354153287653f, 0.0354153287653f, 3.30960431031f,
-2.22473993186f, 0, 0, 0, 4, 0.0119271789404f, 0.0119271789404f,
3.14246833446f, -1.53897441518f, 1, 1, 0, 4, -0.00926944407241f,
-0.00926944407241f, 2.99163830747f, -0.951095651067f, 1, 1, 0, 4,
-0.0284942882003f, -0.0284942882003f, 2.85483898067f, -0.443322919741f,
1, 1, 0, 4, -0.0460102572946f, -0.0460102572946f, 2.73019959403f,
-0.00173676689289f, 3, 3, 0, 4, -0.0620355056149f, -0.0620355056149f,
2.61616781476f, 0.384685191257f, 1, 1, 0, 4, -0.0767525703988f,
-0.0767525703988f, 2.51144475217f, 0.724762824962f, 1, 1, 0, 4,
-0.0903153555918f, -0.0903153555918f, 2.41493526311f, 1.02562126597f, 0,
0, 0, 4, -0.102854534355f, -0.102854534355f, 2.32570950908f,
1.29306717609f, 0, 0, 0, 4, -0.114481772845f, -0.114481772845f,
2.24297290079f, 1.53187104043f, 0, 0, 0, 4, -0.125293064774f,
-0.125293064774f, 2.16604237028f, 1.7459813825f, 0, 0, 0, 4,
-0.135371387759f, -0.135371387759f, 2.09432746896f, 1.93868903792f, 0,
0, 0, 4, -0.144788837105f, -0.144788837105f, 2.02731518411f,
2.11275436309f, 0, 0, 0, 4, -0.153608353159f, -0.153608353159f,
1.96455764752f, 2.27050663742f, 0, 0, 0, 4, -0.161885129764f,
-0.161885129764f, 1.90566211317f, 2.41392239469f, 0, 0, 0, 4,
-0.169667770453f, -0.169667770453f, 1.85028273012f, 2.54468763779f, 0,
0, 0, 4, -0.176999243565f, -0.176999243565f, 1.7981137461f,
2.664247618f, 0, 0, 0, 4, -0.183917675938f, -0.183917675938f,
1.74888385976f, 2.77384694056f, 0, 0, 0, 4, -0.190457016127f,
-0.190457016127f, 1.70235150145f, 2.87456208674f, 0, 0, 0, 4,
-0.196647591505f, -0.196647591505f, 1.65830086891f, 2.96732794808f, 0,
0, 0, 4, -0.202516578553f, -0.202516578553f, 1.61653858092f,
3.05295960034f, 0, 0, 0, 4, -0.208088401699f, -0.208088401699f,
1.57689083915f, 3.13217026882f, 0, 0, 0, 4, -0.213385073084f,
-0.213385073084f, 1.53920101056f, 3.20558622767f, 0, 0, 0, 4,
-0.218426483198f, -0.218426483198f, 1.50332755925f, 3.27375921711f, 0,
0, 0, 4, -0.223230650484f, -0.223230650484f, 1.46914227036f,
3.33717683991f, 0, 0, 0, 4, -0.227813936514f, -0.227813936514f,
1.43652871888f, 3.39627130464f, 0, 0, 0, 4, -0.232191232162f,
-0.232191232162f, 1.405380945f, 3.45142680925f, 0, 0, 0, 4,
-0.236376119209f, -0.236376119209f, 1.37560230404f, 3.5029858015f, 0, 0,
0, 4, -0.240381011115f, -0.240381011115f, 1.34710446484f,
3.55125430721f, 0, 0, 0, 4, -0.244217275993f, -0.244217275993f,
1.31980653466f, 3.59650648186f, 0, 0, 0, 4, -0.247895344381f,
-0.247895344381f, 1.29363429232f, 3.63898851198f, 0, 0, 0, 4,
-0.251424803946f, -0.251424803946f, 1.26851951432f, 3.67892197067f, 0,
0, 0, 4, -0.254814482933f, -0.254814482933f, 1.24439938099f,
3.71650671254f, 0, 0, 0, 4, -0.258072523902f, -0.258072523902f,
1.22121595187f, 3.75192337916f, 0, 0, 0, 4, -0.261206449024f,
-0.261206449024f, 1.198915701f, 3.78533557363f, 0, 0, 0, 4,
-0.264223218067f, -0.264223218067f, 1.17744910437f, 3.81689175332f, 0,
0, 0, 4, -0.267129279989f, -0.267129279989f, 1.15677027275f,
3.84672688183f, 0, 0, 0, 4, -0.269930618959f, -0.269930618959f,
1.13683662426f, 3.87496387446f, 0, 0, 0, 4, -0.272632795488f,
-0.272632795488f, 1.11760859164f, 3.90171486617f, 0, 0, 0, 4,
-0.275240983267f, -0.275240983267f, 1.09904936015f, 3.92708232664f, 0,
0, 0, 4, -0.277760002234f, -0.277760002234f, 1.08112463231f,
3.95116004298f, 0, 0, 0, 4, -0.280194348295f, -0.280194348295f,
1.06380241632f, 3.97403398783f, 0, 0, 0, 4, -0.282548220105f,
-0.282548220105f, 1.04705283558f, 3.99578308789f, 0, 0, 0, 4,
-0.284825543238f, -0.284825543238f, 1.03084795664f, 4.01647990566f, 0,
0, 0, 4, -0.287029992032f, -0.287029992032f, 1.01516163384f,
4.03619124547f, 0, 0, 0, 4, -0.289165009367f, -0.289165009367f,
0.999969368441f, 4.05497869322f, 0, 0, 0, 4, -0.291233824614f,
-0.291233824614f, 0.985248181042f, 4.07289909803f, 0, 0, 0, 4,
-0.293239469931f, -0.293239469931f, 0.970976495549f, 4.09000500276f, 0,
0, 0, 4, -0.295184795087f, -0.295184795087f, 0.957134033679f,
4.10634502964f, 0, 0, 0, 4, -0.297072480979f, -0.297072480979f,
0.943701718828f, 4.12196422612f, 0, 0, 0, 4, -0.298905051955f,
-0.298905051955f, 0.930661588352f, 4.1369043757f, 0, 0, 0, 4,
-0.300684887075f, -0.300684887075f, 0.91799671343f, 4.15120427767f, 0,
0, 0, 4, -0.302414230419f, -0.302414230419f, 0.905691125739f,
4.16489999925f, 0, 0, 0, 4, -0.304095200523f, -0.304095200523f,
0.893729750291f, 4.17802510323f, 0, 0, 0, 4, -0.305729799037f,
-0.305729799037f, 0.882098343821f, 4.19061085383f, 0, 0, 0, 4,
-0.307319918681f, -0.307319918681f, 0.870783438208f, 4.20268640299f, 0,
0, 0, 4, -0.308867350548f, -0.308867350548f, 0.859772288449f,
4.2142789594f, 0, 0, 0, 4, -0.310373790843f, -0.310373790843f,
0.849052824778f, 4.22541394183f, 0, 0, 0, 4, -0.311840847078f,
-0.311840847078f, 0.838613608522f, 4.23611511866f, 0, 0, 0, 4,
-0.313270043798f, -0.313270043798f, 0.828443791396f, 4.24640473475f, 0,
0, 0, 4, -0.314662827862f, -0.314662827862f, 0.81853307789f,
4.25630362721f, 0, 0, 0, 4, -0.316020573333f, -0.316020573333f,
0.808871690511f, 4.2658313309f, 0, 0, 0, 4, -0.317344585997f,
-0.317344585997f, 0.799450337601f, 4.27500617494f, 0, 0, 0, 4,
-0.318636107553f, -0.318636107553f, 0.790260183535f, 4.2838453709f, 0,
0, 0, 4, -0.319896319496f, -0.319896319496f, 0.781292821082f,
4.2923650936f, 0, 0, 0, 4, -0.321126346721f, -0.321126346721f,
0.772540245755f, 4.30058055512f, 0, 0, 0, 4, -0.322327260876f,
-0.322327260876f, 0.763994831973f, 4.3085060728f, 0, 0, 0, 4,
-0.323500083472f, -0.323500083472f, 0.755649310912f, 4.31615513161f, 0,
0, 0, 4, -0.324645788783f, -0.324645788783f, 0.747496749875f,
4.32354044159f, 0, 0, 0, 4, -0.325765306543f, -0.325765306543f,
0.739530533091f, 4.33067399066f, 0, 0, 0, 4, -0.326859524467f,
-0.326859524467f, 0.731744343804f, 4.33756709332f, 0, 0, 0, 4,
-0.327929290594f, -0.327929290594f, 0.724132147574f, 4.34423043551f, 0,
0, 0, 4, -0.328975415481f, -0.328975415481f, 0.716688176675f,
4.35067411606f, 0, 0, 0, 4, -0.329998674249f, -0.329998674249f,
0.709406915523f, 4.35690768501f, 0, 0, 0, 4, -0.330999808504f,
-0.330999808504f, 0.702283087044f, 4.36294017896f, 0, 0, 0, 4,
-0.331979528123f, -0.331979528123f, 0.695311639923f, 4.3687801539f, 0,
0, 0, 4, -0.332938512934f, -0.332938512934f, 0.688487736656f,
4.37443571549f, 0, 0, 0, 4, -0.333877414294f, -0.333877414294f,
0.681806742359f, 4.37991454727f, 0, 0, 0, 4, -0.334796856559f,
-0.334796856559f, 0.675264214264f, 4.38522393675f, 0, 0, 0, 4,
-0.335697438469f, -0.335697438469f, 0.668855891874f, 4.39037079963f, 0,
0, 0, 4, -0.336579734452f, -0.336579734452f, 0.662577687705f,
4.39536170235f, 0, 0, 0, 4, -0.337444295843f, -0.337444295843f,
0.656425678595f, 4.40020288306f};
double d(1.0e-06);
sort_Events(events);
for (auto i = 0; i < 82 * 8; i++) {
TS_ASSERT_DELTA(events[i], ref[i], d);
}
AnalysisDataService::Instance().remove(outWSName);
// test the normalization workspace as well
IMDEventWorkspace_sptr nws;
TS_ASSERT_THROWS_NOTHING(
nws = AnalysisDataService::Instance().retrieveWS<IMDEventWorkspace>(
normWSName));
TS_ASSERT(nws);
// there are 7 points (the rest is outside of 2theta limits)
TS_ASSERT_EQUALS(nws->getNPoints(), 574);
AnalysisDataService::Instance().remove(normWSName);
//-------------------- Test failure --------------------------------------
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void test_failTOF() {
// algorithm does not load files with different number of time channels
std::string outWSName("LoadDNSSCDTest_OutputWS");
std::string normWSName("LoadDNSSCDTest_OutputWS_norm");
std::string filenames = "dn134011vana.d_dat,dnstof.d_dat";
LoadDNSSCD alg;
alg.setRethrows(true);
TS_ASSERT_THROWS_NOTHING(alg.initialize());
TS_ASSERT(alg.isInitialized());
TS_ASSERT_THROWS_NOTHING(alg.setPropertyValue("Filenames", filenames));
TS_ASSERT_THROWS_NOTHING(
alg.setPropertyValue("OutputWorkspace", outWSName));
TS_ASSERT_THROWS_NOTHING(
alg.setPropertyValue("NormalizationWorkspace", normWSName));
TS_ASSERT_THROWS_NOTHING(alg.setProperty("Normalization", "monitor"));
// algorithm should throw if no valid files is provided
TS_ASSERT_THROWS(alg.execute(), std::runtime_error);
TS_ASSERT(!alg.isExecuted());
}
private:
std::string m_fileName;
};
#endif /* MANTID_MDALGORITHMS_LOADDNSSCDEWEST_H_ */