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#ifndef MANTID_MDALGORITHMS_LOADDNSSCDEWTEST_H_
#define MANTID_MDALGORITHMS_LOADDNSSCDEWTEST_H_
#include "MantidKernel/Strings.h"
#include "MantidAPI/AnalysisDataService.h"
#include "MantidAPI/IMDIterator.h"
#include "MantidAPI/IMDEventWorkspace.h"
#include "MantidDataObjects/MDBox.h"
#include "MantidDataObjects/MDGridBox.h"
#include "MantidDataObjects/MDEventFactory.h"
#include "MantidDataObjects/MDEventWorkspace.h"
#include "MantidAPI/BoxController.h"
#include "MantidGeometry/MDGeometry/HKL.h"
#include "MantidAPI/ExperimentInfo.h"
#include "MantidAPI/Run.h"
#include "MantidKernel/TimeSeriesProperty.h"
#include "MantidAPI/ITableWorkspace.h"
#include "MantidAPI/WorkspaceFactory.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;
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.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(), 3);
TS_ASSERT_EQUALS(iws->getNPoints(), 24);
TS_ASSERT_EQUALS(iws->id(), "MDEventWorkspace<MDEvent,3>");
// 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"};
for (auto i=0; i<3; 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);
}
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, NULL);
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);
// 7 columns: I, err^2, run_num, det_id, h, k, l
TS_ASSERT_EQUALS(ncols, 7);
// 7*24 = 168
TS_ASSERT_EQUALS(events.size(), 168);
// reference vector
const std::vector<coord_t> ref = {4366, 4366, 1, 0, -0.09776273, -0.09776273, 0.10005156,
31461, 31461, 1, 1, -0.15959044, -0.15959044, 0.14884006,
33314, 33314, 1, 2, -0.224231616093, -0.224231616093, 0.189927174618,
32369, 32369, 1, 3, -0.291194311172, -0.291194311172, 0.223000198347,
31851, 31851, 1, 4, -0.359968893923, -0.359968893923, 0.247807429194,
30221, 30221, 1, 5, -0.430031948245, -0.430031948245, 0.264160069153,
26267, 26267, 1, 6, -0.500850251989, -0.500850251989, 0.271933664761,
26788, 26788, 1, 7, -0.571884835101, -0.571884835101, 0.27106905426,
29729, 29729, 1, 8, -0.642595081514, -0.642595081514, 0.26157281786,
30188, 30188, 1, 9, -0.712442843555, -0.712442843555, 0.243517227652,
28116, 28116, 1, 10, -0.78089653758, -0.78089653758, 0.217039697581,
30277, 30277, 1, 11, -0.847435189645, -0.847435189645, 0.182341737639,
20231, 20231, 1, 12, -0.911552400429, -0.911552400429, 0.13968742025,
24538, 24538, 1, 13, -0.972760199244, -0.972760199244, 0.089401370527,
16416, 16416, 1, 14, -1.03059275778, -1.03059275778, 0.0318662956709,
20225, 20225, 1, 15, -1.08460993535, -1.08460993535, -0.0324799276578,
19957, 19957, 1, 16, -1.13440062862, -1.13440062862, -0.103147585846,
19570, 19570, 1, 17, -1.17958590034, -1.17958590034, -0.179598855345,
20743, 20743, 1, 18, -1.21982186332, -1.21982186332, -0.261251895832,
22758, 22758, 1, 19, -1.25480229757, -1.25480229757, -0.347485278364,
23001, 23001, 1, 20, -1.28426098088, -1.28426098088, -0.437642714831,
21836, 21836, 1, 21, -1.30797371487, -1.30797371487, -0.531038052704,
23877, 23877, 1, 22, -1.32576003133, -1.32576003133, -0.626960497068,
13340, 13340, 1, 23, -1.33748456564, -1.33748456564, -0.724680020201};
double d(1.0e-06);
for (auto i=0; i<168; 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.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(), 3);
TS_ASSERT_EQUALS(nws->getNPoints(), 24);
TS_ASSERT_EQUALS(nws->id(), "MDEventWorkspace<MDEvent,3>");
// 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"};
for (auto i=0; i<3; 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);
TS_ASSERT_DELTA(dim->getMaximum(), 2.991993, 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, NULL);
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);
// 7 columns: I, err^2, run_num, det_id, h, k, l
TS_ASSERT_EQUALS(ncols, 7);
// 7*24 = 168
TS_ASSERT_EQUALS(events.size(), 168);
// reference vector
const std::vector<coord_t> ref = {8332872, 8332872, 1, 0, -0.09776273, -0.09776273, 0.10005156,
8332872, 8332872, 1, 1, -0.15959044, -0.15959044, 0.14884006,
8332872, 8332872, 1, 2, -0.224231616093, -0.224231616093, 0.189927174618,
8332872, 8332872, 1, 3, -0.291194311172, -0.291194311172, 0.223000198347,
8332872, 8332872, 1, 4, -0.359968893923, -0.359968893923, 0.247807429194,
8332872, 8332872, 1, 5, -0.430031948245, -0.430031948245, 0.264160069153,
8332872, 8332872, 1, 6, -0.500850251989, -0.500850251989, 0.271933664761,
8332872, 8332872, 1, 7, -0.571884835101, -0.571884835101, 0.27106905426,
8332872, 8332872, 1, 8, -0.642595081514, -0.642595081514, 0.26157281786,
8332872, 8332872, 1, 9, -0.712442843555, -0.712442843555, 0.243517227652,
8332872, 8332872, 1, 10, -0.78089653758, -0.78089653758, 0.217039697581,
8332872, 8332872, 1, 11, -0.847435189645, -0.847435189645, 0.182341737639,
8332872, 8332872, 1, 12, -0.911552400429, -0.911552400429, 0.13968742025,
8332872, 8332872, 1, 13, -0.972760199244, -0.972760199244, 0.089401370527,
8332872, 8332872, 1, 14, -1.03059275778, -1.03059275778, 0.0318662956709,
8332872, 8332872, 1, 15, -1.08460993535, -1.08460993535, -0.0324799276578,
8332872, 8332872, 1, 16, -1.13440062862, -1.13440062862, -0.103147585846,
8332872, 8332872, 1, 17, -1.17958590034, -1.17958590034, -0.179598855345,
8332872, 8332872, 1, 18, -1.21982186332, -1.21982186332, -0.261251895832,
8332872, 8332872, 1, 19, -1.25480229757, -1.25480229757, -0.347485278364,
8332872, 8332872, 1, 20, -1.28426098088, -1.28426098088, -0.437642714831,
8332872, 8332872, 1, 21, -1.30797371487, -1.30797371487, -0.531038052704,
8332872, 8332872, 1, 22, -1.32576003133, -1.32576003133, -0.626960497068,
8332872, 8332872, 1, 23, -1.33748456564, -1.33748456564, -0.724680020201};
double d(1.0e-06);
for (auto i=0; i<168; 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, NULL);
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);
// 7 columns: I, err^2, run_num, det_id, h, k, l
TS_ASSERT_EQUALS(ncols, 7);
// 7*24 = 168
TS_ASSERT_EQUALS(events.size(), 168);
// reference vector
const std::vector<coord_t> ref = {600, 0, 1, 0, -0.09776273, -0.09776273, 0.10005156,
600, 0, 1, 1, -0.15959044, -0.15959044, 0.14884006,
600, 0, 1, 2, -0.224231616093, -0.224231616093, 0.189927174618,
600, 0, 1, 3, -0.291194311172, -0.291194311172, 0.223000198347,
600, 0, 1, 4, -0.359968893923, -0.359968893923, 0.247807429194,
600, 0, 1, 5, -0.430031948245, -0.430031948245, 0.264160069153,
600, 0, 1, 6, -0.500850251989, -0.500850251989, 0.271933664761,
600, 0, 1, 7, -0.571884835101, -0.571884835101, 0.27106905426,
600, 0, 1, 8, -0.642595081514, -0.642595081514, 0.26157281786,
600, 0, 1, 9, -0.712442843555, -0.712442843555, 0.243517227652,
600, 0, 1, 10, -0.78089653758, -0.78089653758, 0.217039697581,
600, 0, 1, 11, -0.847435189645, -0.847435189645, 0.182341737639,
600, 0, 1, 12, -0.911552400429, -0.911552400429, 0.13968742025,
600, 0, 1, 13, -0.972760199244, -0.972760199244, 0.089401370527,
600, 0, 1, 14, -1.03059275778, -1.03059275778, 0.0318662956709,
600, 0, 1, 15, -1.08460993535, -1.08460993535, -0.0324799276578,
600, 0, 1, 16, -1.13440062862, -1.13440062862, -0.103147585846,
600, 0, 1, 17, -1.17958590034, -1.17958590034, -0.179598855345,
600, 0, 1, 18, -1.21982186332, -1.21982186332, -0.261251895832,
600, 0, 1, 19, -1.25480229757, -1.25480229757, -0.347485278364,
600, 0, 1, 20, -1.28426098088, -1.28426098088, -0.437642714831,
600, 0, 1, 21, -1.30797371487, -1.30797371487, -0.531038052704,
600, 0, 1, 22, -1.32576003133, -1.32576003133, -0.626960497068,
600, 0, 1, 23, -1.33748456564, -1.33748456564, -0.724680020201};
double d(1.0e-06);
for (auto i=0; i<168; 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(), 3);
// 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"));
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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(), 7);
std::vector<coord_t> events;
size_t ncols;
box->getEventsData(events, ncols);
// 7 columns: I, err^2, run_num, det_id, h, k, l
TS_ASSERT_EQUALS(ncols, 7);
// 7*7 = 49
TS_ASSERT_EQUALS(events.size(), 49);
// reference vector
const std::vector<coord_t> ref = {32369, 32369, 1, 3, -0.291194311172, -0.291194311172, 0.223000198347,
31851, 31851, 1, 4, -0.359968893923, -0.359968893923, 0.247807429194,
30221, 30221, 1, 5, -0.430031948245, -0.430031948245, 0.264160069153,
26267, 26267, 1, 6, -0.500850251989, -0.500850251989, 0.271933664761,
26788, 26788, 1, 7, -0.571884835101, -0.571884835101, 0.27106905426,
29729, 29729, 1, 8, -0.642595081514, -0.642595081514, 0.26157281786,
30188, 30188, 1, 9, -0.712442843555, -0.712442843555, 0.243517227652};
double d(1.0e-06);
for (auto i=0; i<49; 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_Load2() {
// algorithm should load one file and skip the TOF file
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 only if no valid files is provided
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(), 3);
TS_ASSERT_EQUALS(iws->getNPoints(), 24);
AnalysisDataService::Instance().remove(outWSName);
}
//-------------------- Test failure --------------------------------------
void test_failTOF() {
// algorithm does not load TOF files
std::string outWSName("LoadDNSSCDTest_OutputWS");
std::string normWSName("LoadDNSSCDTest_OutputWS_norm");
LoadDNSSCD alg;
alg.setRethrows(true);
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"));
// 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_ */