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// Mantid Repository : https://github.com/mantidproject/mantid
//
// Copyright © 2018 ISIS Rutherford Appleton Laboratory UKRI,
// NScD Oak Ridge National Laboratory, European Spallation Source
// & Institut Laue - Langevin
// SPDX - License - Identifier: GPL - 3.0 +
#include "MantidAPI/IMDEventWorkspace.h"
#include "MantidAPI/IMDHistoWorkspace.h"
#include "MantidAPI/IMDIterator.h"
#include "MantidAPI/Run.h"
#include "MantidDataObjects/MDBoxBase.h"
#include "MantidDataObjects/MDEventFactory.h"
#include "MantidDataObjects/MDEventInserter.h"
#include "MantidGeometry/Instrument/DetectorInfo.h"
#include "MantidGeometry/MDGeometry/QSample.h"
#include "MantidKernel/ArrayProperty.h"
#include "MantidKernel/BoundedValidator.h"
#include "MantidKernel/ConfigService.h"
#include "MantidKernel/PropertyWithValue.h"
#include "MantidKernel/TimeSeriesProperty.h"
#include "MantidKernel/UnitLabelTypes.h"
#include "Eigen/Dense"
#include "boost/math/constants/constants.hpp"
namespace Mantid {
namespace MDAlgorithms {
using Mantid::API::WorkspaceProperty;
using Mantid::Kernel::Direction;
using namespace Mantid::Geometry;
using namespace Mantid::Kernel;
using namespace Mantid::MDAlgorithms;
using namespace Mantid::API;
using namespace Mantid::DataObjects;
// Register the algorithm into the AlgorithmFactory
//----------------------------------------------------------------------------------------------
/// Algorithms name for identification. @see Algorithm::name
const std::string ConvertSCDtoMDE::name() const { return "ConvertSCDtoMDE"; }
/// Algorithm's version for identification. @see Algorithm::version
/// Algorithm's category for identification. @see Algorithm::category
const std::string ConvertSCDtoMDE::category() const {
}
/// Algorithm's summary for use in the GUI and help. @see Algorithm::summary
const std::string ConvertSCDtoMDE::summary() const {
return "Convert from the detector vs scan index MDHistoWorkspace into a "
"MDEventWorkspace with units in Q_sample.";
std::map<std::string, std::string> ConvertSCDtoMDE::validateInputs() {
std::map<std::string, std::string> result;
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API::IMDHistoWorkspace_sptr inputWS = this->getProperty("InputWorkspace");
std::stringstream inputWSmsg;
if (inputWS->getNumDims() != 3) {
inputWSmsg << "Incorrect number of dimensions";
} else if (inputWS->getDimension(0)->getName() != "y" ||
inputWS->getDimension(1)->getName() != "x" ||
inputWS->getDimension(2)->getName() != "scanIndex") {
inputWSmsg << "Wrong dimensions";
} else if (inputWS->getNumExperimentInfo() == 0) {
inputWSmsg << "Missing experiment info";
} else if (inputWS->getExperimentInfo(0)->getInstrument()->getName() !=
"HB3A" &&
inputWS->getExperimentInfo(0)->getInstrument()->getName() !=
"WAND") {
inputWSmsg << "This only works for DEMAND (HB3A) or WAND (HB2C)";
} else {
std::string instrument =
inputWS->getExperimentInfo(0)->getInstrument()->getName();
const auto run = inputWS->getExperimentInfo(0)->run();
size_t number_of_runs = inputWS->getDimension(2)->getNBins();
std::vector<std::string> logs;
if (instrument == "HB3A")
logs = {"omega", "chi", "phi", "monitor", "time"};
else
logs = {"duration", "monitor_count", "s1"};
for (auto log : logs) {
if (run.hasProperty(log)) {
if (static_cast<size_t>(run.getLogData(log)->size()) != number_of_runs)
inputWSmsg << "Log " << log << " has incorrect lenght, ";
} else {
inputWSmsg << "Missing required log " << log << ", ";
}
}
}
if (!inputWSmsg.str().empty())
result["InputWorkspace"] = inputWSmsg.str();
std::vector<double> minVals = this->getProperty("MinValues");
std::vector<double> maxVals = this->getProperty("MaxValues");
if (minVals.size() != 3 || maxVals.size() != 3) {
std::stringstream msg;
msg << "Must provide 3 values, 1 for every dimension";
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result["MinValues"] = msg.str();
result["MaxValues"] = msg.str();
} else {
std::stringstream msg;
size_t rank = minVals.size();
for (size_t i = 0; i < rank; ++i) {
if (minVals[i] >= maxVals[i]) {
if (msg.str().empty())
msg << "max not bigger than min ";
else
msg << ", ";
msg << "at index=" << (i + 1) << " (" << minVals[i]
<< ">=" << maxVals[i] << ")";
}
}
if (!msg.str().empty()) {
result["MinValues"] = msg.str();
result["MaxValues"] = msg.str();
}
}
return result;
}
//----------------------------------------------------------------------------------------------
/** Initialize the algorithm's properties.
*/
declareProperty(std::make_unique<WorkspaceProperty<API::IMDHistoWorkspace>>(
"InputWorkspace", "", Direction::Input),
"An input workspace.");
declareProperty(
std::make_unique<PropertyWithValue<double>>(
"Wavelength", DBL_MAX,
boost::make_shared<BoundedValidator<double>>(0.0, 100.0, true),
Direction::Input),
"Wavelength");
declareProperty(
std::make_unique<ArrayProperty<double>>("MinValues", "-10,-10,-10"),
"It has to be 3 comma separated values, one for each dimension in "
"q_sample."
"Values smaller then specified here will not be added to "
"workspace.");
declareProperty(
std::make_unique<ArrayProperty<double>>("MaxValues", "10,10,10"),
"A list of the same size and the same units as MinValues "
"list. Values higher or equal to the specified by "
"this list will be ignored");
// Box controller properties. These are the defaults
this->initBoxControllerProps("5" /*SplitInto*/, 1000 /*SplitThreshold*/,
20 /*MaxRecursionDepth*/);
declareProperty(std::make_unique<WorkspaceProperty<API::IMDEventWorkspace>>(
"OutputWorkspace", "", Direction::Output),
"An output workspace.");
}
//----------------------------------------------------------------------------------------------
/** Execute the algorithm.
*/
double wavelength = this->getProperty("Wavelength");
if (wavelength == Mantid::EMPTY_DBL()) {
throw std::invalid_argument("Wavelength not entered!");
API::IMDHistoWorkspace_sptr inputWS = this->getProperty("InputWorkspace");
auto &expInfo = *(inputWS->getExperimentInfo(static_cast<uint16_t>(0)));
std::string instrument = expInfo.getInstrument()->getName();
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std::vector<double> twotheta, azimuthal;
std::vector<double> s1, omega, chi, phi;
if (instrument == "HB3A") {
auto omegaLog = dynamic_cast<Kernel::TimeSeriesProperty<double> *>(
expInfo.run().getLogData("omega"));
omega = omegaLog->valuesAsVector();
auto chiLog = dynamic_cast<Kernel::TimeSeriesProperty<double> *>(
expInfo.run().getLogData("chi"));
chi = chiLog->valuesAsVector();
auto phiLog = dynamic_cast<Kernel::TimeSeriesProperty<double> *>(
expInfo.run().getLogData("phi"));
phi = phiLog->valuesAsVector();
const auto &di = expInfo.detectorInfo();
for (size_t x = 0; x < 512; x++) {
for (size_t y = 0; y < 512 * 3; y++) {
size_t n = x + y * 512;
if (!di.isMonitor(n)) {
twotheta.push_back(di.twoTheta(n));
azimuthal.push_back(di.azimuthal(n));
}
}
}
} else { // HB2C
s1 = (*(dynamic_cast<Kernel::PropertyWithValue<std::vector<double>> *>(
expInfo.getLog("s1"))))();
azimuthal =
(*(dynamic_cast<Kernel::PropertyWithValue<std::vector<double>> *>(
expInfo.getLog("azimuthal"))))();
twotheta =
(*(dynamic_cast<Kernel::PropertyWithValue<std::vector<double>> *>(
expInfo.getLog("twotheta"))))();
}
auto outputWS = DataObjects::MDEventFactory::CreateMDWorkspace(3, "MDEvent");
std::vector<double> minVals = this->getProperty("MinValues");
std::vector<double> maxVals = this->getProperty("MaxValues");
outputWS->addDimension(boost::make_shared<Geometry::MDHistoDimension>(
"Q_sample_x", "Q_sample_x", frame, static_cast<coord_t>(minVals[0]),
static_cast<coord_t>(maxVals[0]), 1));
outputWS->addDimension(boost::make_shared<Geometry::MDHistoDimension>(
"Q_sample_y", "Q_sample_y", frame, static_cast<coord_t>(minVals[1]),
static_cast<coord_t>(maxVals[1]), 1));
outputWS->addDimension(boost::make_shared<Geometry::MDHistoDimension>(
"Q_sample_z", "Q_sample_z", frame, static_cast<coord_t>(minVals[2]),
static_cast<coord_t>(maxVals[2]), 1));
outputWS->setCoordinateSystem(Mantid::Kernel::QSample);
outputWS->initialize();
BoxController_sptr bc = outputWS->getBoxController();
boost::dynamic_pointer_cast<MDEventWorkspace<MDEvent<3>, 3>>(outputWS);
MDEventInserter<MDEventWorkspace<MDEvent<3>, 3>::sptr> inserter(mdws_mdevt_3);
boost::math::float_constants::two_pi / static_cast<float>(wavelength);
std::vector<Eigen::Vector3f> q_lab_pre;
q_lab_pre.reserve(azimuthal.size());
for (size_t m = 0; m < azimuthal.size(); ++m) {
auto twotheta_f = static_cast<float>(twotheta[m]);
auto azimuthal_f = static_cast<float>(azimuthal[m]);
q_lab_pre.push_back({-sin(twotheta_f) * cos(azimuthal_f) * k,
-sin(twotheta_f) * sin(azimuthal_f) * k,
(1.f - cos(twotheta_f)) * k});
for (size_t n = 0; n < inputWS->getDimension(2)->getNBins(); n++) {
if (instrument == "HB3A") {
float omega_radian =
static_cast<float>(omega[n]) * boost::math::float_constants::degree;
float chi_radian =
static_cast<float>(chi[n]) * boost::math::float_constants::degree;
float phi_radian =
static_cast<float>(phi[n]) * boost::math::float_constants::degree;
Eigen::Matrix3f r1;
r1 << cos(omega_radian), 0, -sin(omega_radian), 0, 1, 0,
sin(omega_radian), 0, cos(omega_radian); // omega 0,1,0,-1
Eigen::Matrix3f r2;
r2 << cos(chi_radian), sin(chi_radian), 0, -sin(chi_radian),
cos(chi_radian), 0, 0, 0, 1; // chi 0,0,1,-1
Eigen::Matrix3f r3;
r3 << cos(phi_radian), 0, -sin(phi_radian), 0, 1, 0, sin(phi_radian), 0,
cos(phi_radian); // phi 0,1,0,-1
goniometer = r1 * r2 * r3;
} else { // HB2C
float s1_radian =
static_cast<float>(s1[n]) * boost::math::float_constants::degree;
goniometer << cos(s1_radian), 0, sin(s1_radian), 0, 1, 0, -sin(s1_radian),
0, cos(s1_radian); // s1 0,1,0,1
}
goniometer = goniometer.inverse().eval();
for (size_t m = 0; m < azimuthal.size(); m++) {
size_t idx = n * azimuthal.size() + m;
coord_t signal = static_cast<coord_t>(inputWS->getSignalAt(idx));
if (signal > 0.f) {
Eigen::Vector3f q_sample = goniometer * q_lab_pre[m];
inserter.insertMDEvent(signal, signal, 0, 0, q_sample.data());
}
}
auto *ts = new ThreadSchedulerFIFO();
ThreadPool tp(ts);
outputWS->splitAllIfNeeded(ts);
tp.joinAll();
outputWS->copyExperimentInfos(*inputWS);
auto user_convention =
Kernel::ConfigService::Instance().getString("Q.convention");
auto ws_convention = outputWS->getConvention();
if (user_convention != ws_convention) {
auto convention_alg = createChildAlgorithm("ChangeQConvention");
convention_alg->setProperty("InputWorkspace", outputWS);
convention_alg->executeAsChildAlg();
}
setProperty("OutputWorkspace", outputWS);
}
} // namespace MDAlgorithms
} // namespace Mantid