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Refs #11847. Checkpointing progress on solving issues during test.
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@wdzhou
wdzhou committed Jun 1, 2015
1 parent 24e2688 commit 388217e
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Showing 3 changed files with 99 additions and 116 deletions.
17 changes: 9 additions & 8 deletions Code/Mantid/Framework/MDAlgorithms/inc/MantidMDAlgorithms/ConvertCWSDExpToMomentum.h
View file
Expand Up @@ -6,6 +6,7 @@
#include "MantidAPI/ITableWorkspace.h"
#include "MantidAPI/IMDEventWorkspace.h"
#include "MantidDataObjects/MDEventInserter.h"
#include "MantidKernel/Matrix.h"

namespace Mantid {
namespace MDAlgorithms {
Expand Down Expand Up @@ -39,9 +40,7 @@ class DLLExport ConvertCWSDExpToMomentum : public API::Algorithm {
virtual ~ConvertCWSDExpToMomentum();

/// Algorithm's name
virtual const std::string name() const {
return "ConvertCWSDExpToMomentum";
}
virtual const std::string name() const { return "ConvertCWSDExpToMomentum"; }

/// Summary of algorithms purpose
virtual const std::string summary() const {
Expand All @@ -66,8 +65,10 @@ class DLLExport ConvertCWSDExpToMomentum : public API::Algorithm {
const detid_t &startdetid,
const int runnumber);

void convertToMomentum(const std::vector<double> &detPos, const double &wavelength,
std::vector<Mantid::coord_t> &qSample);
void convertToMomentum(const std::vector<double> &detPos,
const double &wavelength,
std::vector<Mantid::coord_t> &qSample,
const Kernel::DblMatrix &rotationMatrix);

API::IMDEventWorkspace_sptr createExperimentMDWorkspace();

Expand All @@ -80,9 +81,9 @@ class DLLExport ConvertCWSDExpToMomentum : public API::Algorithm {
std::vector<detid_t> &vec_detid);

void setupTransferMatrix(API::MatrixWorkspace_sptr dataws,
const double &omega,
const double &phi,
const double &chi);
const double &omega, const double &phi,
const double &chi,
Kernel::DblMatrix &rotationMatrix);

API::ITableWorkspace_sptr m_expDataTableWS;
API::ITableWorkspace_sptr m_detectorListTableWS;
Expand Down
105 changes: 43 additions & 62 deletions Code/Mantid/Framework/MDAlgorithms/src/ConvertCWSDExpToMomentum.cpp
View file
Expand Up @@ -16,7 +16,7 @@ using namespace Mantid::Geometry;
namespace Mantid {
namespace MDAlgorithms {

DECLARE_ALGORITHM(ConvertCWSDExpToMomentum)
DECLARE_ALGORITHM(ConvertCWSDExpToMomentum)

//----------------------------------------------------------------------------------------------
/** Constructor
Expand All @@ -42,7 +42,7 @@ void ConvertCWSDExpToMomentum::init() {
"Name of table workspace containing all the detectors.");

declareProperty(new WorkspaceProperty<IMDEventWorkspace>(
"OutputWorkspace", "", Direction::Output),
"OutputWorkspace", "", Direction::Output),
"Name of MDEventWorkspace containing all experimental data.");

declareProperty(new ArrayProperty<double>("SourcePosition"),
Expand All @@ -53,7 +53,6 @@ void ConvertCWSDExpToMomentum::init() {

declareProperty(new ArrayProperty<double>("PixelDimension"),
"A vector of 8 doubles to determine a cubic pixel's size.");

}

/**
Expand Down Expand Up @@ -87,15 +86,14 @@ ConvertCWSDExpToMomentum::createExperimentMDWorkspace() {
parseDetectorTable(vec_detpos, vec_detid);

// FIXME - Should set create a solid instrument
m_virtualInstrument = Geometry::ComponentHelper::createVirtualInstrument(m_sourcePos, m_samplePos,
vec_detpos,
vec_detid);
if (!m_virtualInstrument)
throw std::runtime_error("Failed to create virtual instrument.");
g_log.notice() << "[DB] Virtual Instrument has " << m_virtualInstrument->getDetectorIDs().size()
m_virtualInstrument = Geometry::ComponentHelper::createVirtualInstrument(
m_sourcePos, m_samplePos, vec_detpos, vec_detid);
if (!m_virtualInstrument)
throw std::runtime_error("Failed to create virtual instrument.");
g_log.notice() << "[DB] Virtual Instrument has "
<< m_virtualInstrument->getDetectorIDs().size()
<< "Detectors\n";


// Create workspace
// FIXME - Should I give out a better value???
m_extentMins.resize(3, -10.0);
Expand All @@ -118,15 +116,18 @@ ConvertCWSDExpToMomentum::createExperimentMDWorkspace() {
dimensionNames[0] = "Q_sample_x";
dimensionNames[1] = "Q_sample_y";
dimensionNames[2] = "Q_sample_z";
Mantid::Kernel::SpecialCoordinateSystem coordinateSystem = Mantid::Kernel::QSample;
Mantid::Kernel::SpecialCoordinateSystem coordinateSystem =
Mantid::Kernel::QSample;

// Add dimensions
if (m_extentMins.size() != 3 || m_extentMaxs.size() != 3 || m_numBins.size() != 3)
throw std::runtime_error("The range and number of bins are not set up correctly to create MDEventWorkspace.");
if (m_extentMins.size() != 3 || m_extentMaxs.size() != 3 ||
m_numBins.size() != 3)
throw std::runtime_error("The range and number of bins are not set up "
"correctly to create MDEventWorkspace.");
else
for (size_t d = 0; d < 3; ++d)
g_log.debug() << "Direction " << d << ", Range = " << m_extentMins[d]
<< ", " << m_extentMaxs[d] << "\n";
<< ", " << m_extentMaxs[d] << "\n";

for (size_t i = 0; i < m_nDimensions; ++i) {
std::string id = vec_ID[i];
Expand Down Expand Up @@ -187,59 +188,37 @@ void ConvertCWSDExpToMomentum::addMDEvents() {
return;
}

void ConvertCWSDExpToMomentum::setupTransferMatrix(API::MatrixWorkspace_sptr dataws,
const double &omega,
const double &phi,
const double &chi)
{
// Set up MDWSDescription from MatrixWorkspace
MDWSDescription targetwsdescription;
std::vector<double> minVal(4,-3),maxVal(4,3);
targetwsdescription.setMinMax(minVal,maxVal);

targetwsdescription.buildFromMatrixWS(dataws, "Q3D", "Direct");

// Now it is in LabFrame
MDWSTransform transf;

std::string frameid = "Q_sample";
CnvrtToMD::TargetFrame targetframe = transf.getTargetFrame(frameid);
/*
bool foundtarget = transf.findTargetFrame(targetwsdescription);
if (!foundtarget)
throw std::runtime_error("Unable to convert to ...");
*/

// SetGoniometer(fakews2d,0,0,0);
void ConvertCWSDExpToMomentum::setupTransferMatrix(
API::MatrixWorkspace_sptr dataws, const double &omega, const double &phi,
const double &chi, Kernel::DblMatrix &rotationMatrix) {
// set axis-0
dataws->mutableRun().mutableGoniometer().setRotationAngle(0, omega);
// set axis-1
dataws->mutableRun().mutableGoniometer().setRotationAngle(1, phi);
// set axis-2
dataws->mutableRun().mutableGoniometer().setRotationAngle(2, chi);
// TS_ASSERT_EQUALS(CnvrtToMD::SampleFrame,Transf.findTargetFrame(TargWSDescription));
// FIXME - How to define *pLattice?
Geometry::OrientedLattice *pLattice;
dataws->mutableSample().setOrientedLattice(pLattice);
// It should be in sample frame
// FIXME : TS_ASSERT_EQUALS(CnvrtToMD::HKLFrame,Transf.findTargetFrame(TargWSDescription));

CnvrtToMD::CoordScaling scaling(CnvrtToMD::NoScaling);
std::vector<double> matrix =
transf.getTransfMatrix(targetwsdescription, "Sample", "NoScaling");
// Get rotation matrix from Q-lab to Q-sample
rotationMatrix = dataws->run().getGoniometer().getR();
g_log.notice() << "[DB] Rotation Matrix Rows = " << rotationMatrix.numRows()
<< "\n";

return;
}

void ConvertCWSDExpToMomentum::convertSpiceMatrixToMomentumMDEvents(
MatrixWorkspace_sptr dataws, const detid_t &startdetid,
const int runnumber) {
// Create transformation matrix from
double omega = dataws->run().getPropertyAsSingleValue("_omega");
double phi = dataws->run().getPropertyAsSingleValue("_phi");
double chi = dataws->run().getPropertyAsSingleValue("_chi");
Kernel::DblMatrix rotationMatrix;
setupTransferMatrix(dataws, omega, phi, chi, rotationMatrix);

// Creates a new instance of the MDEventInserter.
MDEventWorkspace<MDEvent<3>, 3>::sptr mdws_mdevt_3 =
boost::dynamic_pointer_cast<MDEventWorkspace<MDEvent<3>, 3> >(m_outputWS);
MDEventInserter<MDEventWorkspace<MDEvent<3>, 3>::sptr> inserter(
mdws_mdevt_3);
MDEventInserter<MDEventWorkspace<MDEvent<3>, 3>::sptr> inserter(mdws_mdevt_3);

size_t numspec = dataws->getNumberHistograms();
for (size_t iws = 0; iws < numspec; ++iws) {
Expand All @@ -250,12 +229,12 @@ void ConvertCWSDExpToMomentum::convertSpiceMatrixToMomentumMDEvents(
// Create the MDEvent
Kernel::V3D detpos = dataws->getDetector(iws)->getPos();
std::vector<Mantid::coord_t> momentum(3);
convertToMomentum(detpos, wavelength, momentum);
convertToMomentum(detpos, wavelength, momentum, rotationMatrix);
detid_t detid = dataws->getDetector(iws)->getID() + startdetid;
// Insert
inserter.insertMDEvent(static_cast<float>(signal), static_cast<float>(error*error),
static_cast<uint16_t>(runnumber), detid,
momentum.data());
inserter.insertMDEvent(
static_cast<float>(signal), static_cast<float>(error * error),
static_cast<uint16_t>(runnumber), detid, momentum.data());
}

ExperimentInfo_sptr expinfo = boost::make_shared<ExperimentInfo>();
Expand Down Expand Up @@ -320,19 +299,22 @@ bool ConvertCWSDExpToMomentum::getInputs(std::string &errmsg) {
return (errmsg.size() > 0);
}

void ConvertCWSDExpToMomentum::convertToMomentum(const std::vector<double> &detPos, const double &wavelength, std::vector<coord_t> &qSample)
{
// FIXME - At this stage it is only for test on compiling purpose
return;

void ConvertCWSDExpToMomentum::convertToMomentum(
const std::vector<double> &detPos, const double &wavelength,
std::vector<coord_t> &qSample, const Kernel::DblMatrix &rotationMatrix) {

// TODO - Use detector position and wavelength/Q to calcualte Q_lab
Kernel::V3D q_lab;

// TODO - Use matrix workspace
Kernel::V3D q_sample = rotationMatrix * q_lab;

return;
}

API::MatrixWorkspace_sptr ConvertCWSDExpToMomentum::loadSpiceData(const std::string &filename, bool &loaded, std::string &errmsg)
{
API::MatrixWorkspace_sptr
ConvertCWSDExpToMomentum::loadSpiceData(const std::string &filename,
bool &loaded, std::string &errmsg) {
IAlgorithm_sptr loader = createChildAlgorithm("LoadSpiceXML2DDet");
loader->initialize();
loader->setProperty("Filename", filename);
Expand All @@ -353,7 +335,6 @@ API::MatrixWorkspace_sptr ConvertCWSDExpToMomentum::loadSpiceData(const std::str
return dataws;
}


void ConvertCWSDExpToMomentum::parseDetectorTable(
std::vector<Kernel::V3D> &vec_detpos, std::vector<detid_t> &vec_detid) {
// Set vectors' sizes
Expand Down

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