Newer
Older
#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;
bool cmp_Events(std::vector<coord_t> &ev1, std::vector<coord_t> &ev2) {
// event1 < event2 if it has smaller det_id and dE
assert(ev1.size() == 8);
assert(ev2.size() == 8);
double eps = 1.0e-07;
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);
if (i < 3) {
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, 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);
// 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);
4366, 4366, 0, 0, -0.09776273f, -0.09776273f, 0.10005156f, 0.0f,
31461, 31461, 0, 1, -0.15959044f, -0.15959044f, 0.14884006f, 0.0f,
33314, 33314, 0, 2, -0.224231616093f, -0.224231616093f, 0.189927174618f, 0.0f,
32369, 32369, 0, 3, -0.291194311172f, -0.291194311172f, 0.223000198347f, 0.0f,
31851, 31851, 0, 4, -0.359968893923f, -0.359968893923f, 0.247807429194f, 0.0f,
30221, 30221, 0, 5, -0.430031948245f, -0.430031948245f, 0.264160069153f, 0.0f,
26267, 26267, 0, 6, -0.500850251989f, -0.500850251989f, 0.271933664761f, 0.0f,
26788, 26788, 0, 7, -0.571884835101f, -0.571884835101f, 0.27106905426f, 0.0f,
29729, 29729, 0, 8, -0.642595081514f, -0.642595081514f, 0.26157281786f, 0.0f,
30188, 30188, 0, 9, -0.712442843555f, -0.712442843555f, 0.243517227652f, 0.0f,
28116, 28116, 0, 10, -0.78089653758f, -0.78089653758f, 0.217039697581f, 0.0f,
30277, 30277, 0, 11, -0.847435189645f, -0.847435189645f, 0.182341737639f, 0.0f,
20231, 20231, 0, 12, -0.911552400429f, -0.911552400429f, 0.13968742025f, 0.0f,
24538, 24538, 0, 13, -0.972760199244f, -0.972760199244f, 0.089401370527f, 0.0f,
16416, 16416, 0, 14, -1.03059275778f, -1.03059275778f, 0.0318662956709f, 0.0f,
20225, 20225, 0, 15, -1.08460993535f, -1.08460993535f, -0.0324799276578f, 0.0f,
19957, 19957, 0, 16, -1.13440062862f, -1.13440062862f, -0.103147585846f, 0.0f,
19570, 19570, 0, 17, -1.17958590034f, -1.17958590034f, -0.179598855345f, 0.0f,
20743, 20743, 0, 18, -1.21982186332f, -1.21982186332f, -0.261251895832f, 0.0f,
22758, 22758, 0, 19, -1.25480229757f, -1.25480229757f, -0.347485278364f, 0.0f,
23001, 23001, 0, 20, -1.28426098088f, -1.28426098088f, -0.437642714831f, 0.0f,
21836, 21836, 0, 21, -1.30797371487f, -1.30797371487f, -0.531038052704f, 0.0f,
23877, 23877, 0, 22, -1.32576003133f, -1.32576003133f, -0.626960497068f, 0.0f,
13340, 13340, 0, 23, -1.33748456564f, -1.33748456564f, -0.724680020201f, 0.0f};
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, 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);
// 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);
8332872, 8332872, 0, 0, -0.09776273f, -0.09776273f, 0.10005156f, 0.0f,
8332872, 8332872, 0, 1, -0.15959044f, -0.15959044f, 0.14884006f, 0.0f,
8332872, 8332872, 0, 2, -0.224231616093f, -0.224231616093f, 0.189927174618f, 0.0f,
8332872, 8332872, 0, 3, -0.291194311172f, -0.291194311172f, 0.223000198347f, 0.0f,
8332872, 8332872, 0, 4, -0.359968893923f, -0.359968893923f, 0.247807429194f, 0.0f,
8332872, 8332872, 0, 5, -0.430031948245f, -0.430031948245f, 0.264160069153f, 0.0f,
8332872, 8332872, 0, 6, -0.500850251989f, -0.500850251989f, 0.271933664761f, 0.0f,
8332872, 8332872, 0, 7, -0.571884835101f, -0.571884835101f, 0.27106905426f, 0.0f,
8332872, 8332872, 0, 8, -0.642595081514f, -0.642595081514f, 0.26157281786f, 0.0f,
8332872, 8332872, 0, 9, -0.712442843555f, -0.712442843555f, 0.243517227652f, 0.0f,
8332872, 8332872, 0, 10, -0.78089653758f, -0.78089653758f, 0.217039697581f, 0.0f,
8332872, 8332872, 0, 11, -0.847435189645f, -0.847435189645f, 0.182341737639f, 0.0f,
8332872, 8332872, 0, 12, -0.911552400429f, -0.911552400429f, 0.13968742025f, 0.0f,
8332872, 8332872, 0, 13, -0.972760199244f, -0.972760199244f, 0.089401370527f, 0.0f,
8332872, 8332872, 0, 14, -1.03059275778f, -1.03059275778f, 0.0318662956709f, 0.0f,
8332872, 8332872, 0, 15, -1.08460993535f, -1.08460993535f, -0.0324799276578f, 0.0f,
8332872, 8332872, 0, 16, -1.13440062862f, -1.13440062862f, -0.103147585846f, 0.0f,
8332872, 8332872, 0, 17, -1.17958590034f, -1.17958590034f, -0.179598855345f, 0.0f,
8332872, 8332872, 0, 18, -1.21982186332f, -1.21982186332f, -0.261251895832f, 0.0f,
8332872, 8332872, 0, 19, -1.25480229757f, -1.25480229757f, -0.347485278364f, 0.0f,
8332872, 8332872, 0, 20, -1.28426098088f, -1.28426098088f, -0.437642714831f, 0.0f,
8332872, 8332872, 0, 21, -1.30797371487f, -1.30797371487f, -0.531038052704f, 0.0f,
8332872, 8332872, 0, 22, -1.32576003133f, -1.32576003133f, -0.626960497068f, 0.0f,
8332872, 8332872, 0, 23, -1.33748456564f, -1.33748456564f, -0.724680020201f, 0.0f};
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, 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);
// 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, 0.0f,
600, 0, 0, 1, -0.15959044f, -0.15959044f, 0.14884006f, 0.0f,
600, 0, 0, 2, -0.224231616093f, -0.224231616093f, 0.189927174618f, 0.0f,
600, 0, 0, 3, -0.291194311172f, -0.291194311172f, 0.223000198347f, 0.0f,
600, 0, 0, 4, -0.359968893923f, -0.359968893923f, 0.247807429194f, 0.0f,
600, 0, 0, 5, -0.430031948245f, -0.430031948245f, 0.264160069153f, 0.0f,
600, 0, 0, 6, -0.500850251989f, -0.500850251989f, 0.271933664761f, 0.0f,
600, 0, 0, 7, -0.571884835101f, -0.571884835101f, 0.27106905426f, 0.0f,
600, 0, 0, 8, -0.642595081514f, -0.642595081514f, 0.26157281786f, 0.0f,
600, 0, 0, 9, -0.712442843555f, -0.712442843555f, 0.243517227652f, 0.0f,
600, 0, 0, 10, -0.78089653758f, -0.78089653758f, 0.217039697581f, 0.0f,
600, 0, 0, 11, -0.847435189645f, -0.847435189645f, 0.182341737639f, 0.0f,
600, 0, 0, 12, -0.911552400429f, -0.911552400429f, 0.13968742025f, 0.0f,
600, 0, 0, 13, -0.972760199244f, -0.972760199244f, 0.089401370527f, 0.0f,
600, 0, 0, 14, -1.03059275778f, -1.03059275778f, 0.0318662956709f, 0.0f,
600, 0, 0, 15, -1.08460993535f, -1.08460993535f, -0.0324799276578f, 0.0f,
600, 0, 0, 16, -1.13440062862f, -1.13440062862f, -0.103147585846f, 0.0f,
600, 0, 0, 17, -1.17958590034f, -1.17958590034f, -0.179598855345f, 0.0f,
600, 0, 0, 18, -1.21982186332f, -1.21982186332f, -0.261251895832f, 0.0f,
600, 0, 0, 19, -1.25480229757f, -1.25480229757f, -0.347485278364f, 0.0f,
600, 0, 0, 20, -1.28426098088f, -1.28426098088f, -0.437642714831f, 0.0f,
600, 0, 0, 21, -1.30797371487f, -1.30797371487f, -0.531038052704f, 0.0f,
600, 0, 0, 22, -1.32576003133f, -1.32576003133f, -0.626960497068f, 0.0f,
600, 0, 0, 23, -1.33748456564f, -1.33748456564f, -0.724680020201f, 0.0f};
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, 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);
// 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);
32369, 32369, 0, 3, -0.291194311172f, -0.291194311172f, 0.223000198347f, 0.0f,
31851, 31851, 0, 4, -0.359968893923f, -0.359968893923f, 0.247807429194f, 0.0f,
30221, 30221, 0, 5, -0.430031948245f, -0.430031948245f, 0.264160069153f, 0.0f,
26267, 26267, 0, 6, -0.500850251989f, -0.500850251989f, 0.271933664761f, 0.0f,
26788, 26788, 0, 7, -0.571884835101f, -0.571884835101f, 0.27106905426f, 0.0f,
29729, 29729, 0, 8, -0.642595081514f, -0.642595081514f, 0.26157281786f, 0.0f,
30188, 30188, 0, 9, -0.712442843555f, -0.712442843555f,
0.243517227652f, 0.0f};
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);
705
706
707
708
709
710
711
712
713
714
715
716
717
718
719
720
721
722
723
724
725
726
727
728
729
730
731
732
733
734
735
736
737
738
739
740
741
742
743
744
745
746
747
748
749
750
751
752
753
754
755
756
757
758
759
760
761
762
763
764
765
766
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);
}
}
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);
776
777
778
779
780
781
782
783
784
785
786
787
788
789
790
791
792
793
794
795
796
797
798
799
800
801
802
803
804
805
806
807
808
809
810
811
812
813
814
815
816
817
818
819
820
821
822
823
824
825
826
827
828
829
830
831
832
833
834
835
836
837
838
839
840
841
842
843
844
845
846
847
848
849
850
851
852
853
854
855
856
857
858
859
860
861
862
863
864
865
866
867
868
869
870
871
872
873
874
875
876
877
878
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 = {
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());
923
924
925
926
927
928
929
930
931
932
933
934
935
936
937
938
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
988
989
990
991
992
993
994
995
996
997
998
999
1000
// 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 = {
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,