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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
966
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);