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Checkpointing work. Refs #7336.
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1. Conjoin the low resolution TOF workspace to output workspace;
2. Enable to use offset on spectrum number of the spectra from low
resolution TOF workspace;
3. Refactor codes
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@wdzhou
wdzhou committed Jul 10, 2013
1 parent ec59123 commit 824bf42
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Showing 2 changed files with 112 additions and 5 deletions.
11 changes: 11 additions & 0 deletions Code/Mantid/Framework/WorkflowAlgorithms/inc/MantidWorkflowAlgorithms/AlignAndFocusPowder.h
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Original file line number Diff line number Diff line change
Expand Up @@ -80,6 +80,17 @@ namespace Mantid
API::MatrixWorkspace_sptr conjoinWorkspaces(API::MatrixWorkspace_sptr ws1, API::MatrixWorkspace_sptr ws2,
size_t offset);

/// Call diffraction focus to a matrix workspace.
API::MatrixWorkspace_sptr diffractionFocus(API::MatrixWorkspace_sptr ws);

/// Convert units
API::MatrixWorkspace_sptr convertUnits(API::MatrixWorkspace_sptr matrixws, std::string target);

/// Call edit instrument geometry
API::MatrixWorkspace_sptr editInstrument(API::MatrixWorkspace_sptr ws, std::vector<double> polars,
std::vector<specid_t> specids, std::vector<double> l2s,
std::vector<double> phis);

API::MatrixWorkspace_sptr m_inputW;
API::MatrixWorkspace_sptr m_outputW;
DataObjects::EventWorkspace_sptr m_inputEW;
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106 changes: 101 additions & 5 deletions Code/Mantid/Framework/WorkflowAlgorithms/src/AlignAndFocusPowder.cpp
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Original file line number Diff line number Diff line change
Expand Up @@ -358,13 +358,17 @@ namespace WorkflowAlgorithms

if(LRef > 0. || minwl > 0. || DIFCref > 0.)
{
#if 0
g_log.information() << "running ConvertUnits(Target=TOF)\n";
API::IAlgorithm_sptr convert1Alg = createChildAlgorithm("ConvertUnits");
convert1Alg->setProperty("InputWorkspace", m_outputW);
convert1Alg->setProperty("OutputWorkspace", m_outputW);
convert1Alg->setProperty("Target","TOF");
convert1Alg->executeAsChildAlg();
m_outputW = convert1Alg->getProperty("OutputWorkspace");
#else
m_outputW = convertUnits(m_outputW, "TOF");
#endif
}

// Beyond this point, low resolution TOF workspace is considered.
Expand Down Expand Up @@ -442,11 +446,12 @@ namespace WorkflowAlgorithms
}
}

// FIXME - Refactor beyond this point!
// FIXED - Refactor beyond this point!

// Convert units
if(LRef > 0. || minwl > 0. || DIFCref > 0.)
{
#if 0
g_log.information() << "running ConvertUnits(Target=dSpacing)\n";
API::IAlgorithm_sptr convert2Alg = createChildAlgorithm("ConvertUnits");
convert2Alg->setProperty("InputWorkspace", m_outputW);
Expand All @@ -464,6 +469,11 @@ namespace WorkflowAlgorithms
convert2Alg->executeAsChildAlg();
m_lowResW = convert2Alg->getProperty("OutputWorkspace");
}
#else
m_outputW = convertUnits(m_outputW, "dSpacing");
if (m_processLowResTOF)
m_lowResW = convertUnits(m_lowResW, "dSpacing");
#endif
}

if(dspace)
Expand All @@ -478,6 +488,7 @@ namespace WorkflowAlgorithms
doSortEvents(m_lowResW);

// Diffraction focus
#if 0
g_log.information() << "running DiffractionFocussing. \n";
API::IAlgorithm_sptr focusAlg = createChildAlgorithm("DiffractionFocussing");
focusAlg->setProperty("InputWorkspace", m_outputW);
Expand All @@ -496,6 +507,11 @@ namespace WorkflowAlgorithms
focusAlg->executeAsChildAlg();
m_lowResW = focusAlg->getProperty("OutputWorkspace");
}
#else
m_outputW = diffractionFocus(m_outputW);
if (m_processLowResTOF)
m_lowResW = diffractionFocus(m_lowResW);
#endif

doSortEvents(m_outputW);
if (m_processLowResTOF)
Expand Down Expand Up @@ -525,6 +541,7 @@ namespace WorkflowAlgorithms
std::copy(phis.begin(), (phis.begin()+numreg), vec_azimuthal_reg.begin());

// Edit instrument
#if 0
g_log.information() << "running EditInstrumentGeometry\n";
API::IAlgorithm_sptr editAlg = createChildAlgorithm("EditInstrumentGeometry");
editAlg->setProperty("Workspace", m_outputW);
Expand All @@ -535,6 +552,9 @@ namespace WorkflowAlgorithms
editAlg->setProperty("Azimuthal", vec_azimuthal_reg);
editAlg->executeAsChildAlg();
m_outputW = editAlg->getProperty("Workspace");
#else
m_outputW = editInstrument(m_outputW, vec_polar_reg, vec_specid_reg, vec_l2_reg, vec_azimuthal_reg);
#endif

if (m_processLowResTOF)
{
Expand All @@ -547,6 +567,7 @@ namespace WorkflowAlgorithms
std::vector<double> vec_azimuthal_low(numlow, 0.);
std::copy((phis.begin()+numreg), phis.end(), vec_azimuthal_low.begin());

#if 0
API::IAlgorithm_sptr editAlg = createChildAlgorithm("EditInstrumentGeometry");
editAlg->setProperty("Workspace", m_lowResW);
editAlg->setProperty("PrimaryFlightPath", l1);
Expand All @@ -556,6 +577,9 @@ namespace WorkflowAlgorithms
editAlg->setProperty("Azimuthal", vec_azimuthal_low);
editAlg->executeAsChildAlg();
m_lowResW = editAlg->getProperty("Workspace");
#else
m_lowResW = editInstrument(m_lowResW, vec_polar_low, vec_specid_low, vec_l2_low, vec_azimuthal_low);
#endif
}
}

Expand All @@ -566,13 +590,17 @@ namespace WorkflowAlgorithms
}

// Convert units to TOF
#if 0
g_log.information() << "running ConvertUnits\n";
API::IAlgorithm_sptr convert3Alg = createChildAlgorithm("ConvertUnits");
convert3Alg->setProperty("InputWorkspace", m_outputW);
convert3Alg->setProperty("OutputWorkspace", m_outputW);
convert3Alg->setProperty("Target","TOF");
convert3Alg->executeAsChildAlg();
m_outputW = convert3Alg->getProperty("OutputWorkspace");
#else
m_outputW = convertUnits(m_outputW, "TOF");
#endif

/*
if (m_processLowResTOF)
Expand Down Expand Up @@ -611,6 +639,66 @@ namespace WorkflowAlgorithms
return;
}

//----------------------------------------------------------------------------------------------
/** Call edit instrument geometry
*/
API::MatrixWorkspace_sptr AlignAndFocusPowder::editInstrument(API::MatrixWorkspace_sptr ws, std::vector<double> polars,
std::vector<specid_t> specids, std::vector<double> l2s,
std::vector<double> phis)
{
g_log.information() << "running EditInstrumentGeometry\n";

API::IAlgorithm_sptr editAlg = createChildAlgorithm("EditInstrumentGeometry");
editAlg->setProperty("Workspace", ws);
editAlg->setProperty("PrimaryFlightPath", l1);
editAlg->setProperty("Polar", polars);
editAlg->setProperty("SpectrumIDs", specids);
editAlg->setProperty("L2", l2s);
editAlg->setProperty("Azimuthal", phis);
editAlg->executeAsChildAlg();

ws = editAlg->getProperty("Workspace");

return ws;
}

//----------------------------------------------------------------------------------------------
/** Call diffraction focus to a matrix workspace.
*/
API::MatrixWorkspace_sptr AlignAndFocusPowder::diffractionFocus(API::MatrixWorkspace_sptr ws)
{
g_log.information() << "running DiffractionFocussing. \n";

API::IAlgorithm_sptr focusAlg = createChildAlgorithm("DiffractionFocussing");
focusAlg->setProperty("InputWorkspace", ws);
focusAlg->setProperty("OutputWorkspace", ws);
focusAlg->setProperty("GroupingWorkspace", m_groupWS);
focusAlg->setProperty("PreserveEvents", m_preserveEvents);
focusAlg->executeAsChildAlg();
ws = focusAlg->getProperty("OutputWorkspace");

return ws;
}

//----------------------------------------------------------------------------------------------
/** Convert units
*/
API::MatrixWorkspace_sptr AlignAndFocusPowder::convertUnits(API::MatrixWorkspace_sptr matrixws, std::string target)
{
g_log.information() << "running ConvertUnits(Target=dSpacing)\n";

API::IAlgorithm_sptr convert2Alg = createChildAlgorithm("ConvertUnits");
convert2Alg->setProperty("InputWorkspace", matrixws);
convert2Alg->setProperty("OutputWorkspace", matrixws);
convert2Alg->setProperty("Target", target);
convert2Alg->executeAsChildAlg();

matrixws = convert2Alg->getProperty("OutputWorkspace");

return matrixws;

}

//----------------------------------------------------------------------------------------------
/** Rebin
*/
Expand Down Expand Up @@ -665,12 +753,14 @@ namespace WorkflowAlgorithms
MatrixWorkspace_sptr AlignAndFocusPowder::conjoinWorkspaces(API::MatrixWorkspace_sptr ws1,
API::MatrixWorkspace_sptr ws2, size_t offset)
{
// Get information from ws1: maximum spectrum number
// Get information from ws1: maximum spectrum number, and store original spectrum IDs
size_t nspec1 = ws1->getNumberHistograms();
specid_t maxspecid1 = 0;
std::vector<specid_t> origspecids;
for (size_t i = 0; i < nspec1; ++i)
{
specid_t tmpspecid = ws1->getSpectrum(i)->getSpectrumNo();
origspecids.push_back(tmpspecid);
if (tmpspecid > maxspecid1)
maxspecid1 = tmpspecid;
}
Expand All @@ -693,10 +783,16 @@ namespace WorkflowAlgorithms

API::MatrixWorkspace_sptr outws = alg->getProperty("OutputWorkspace");

// FIXME : Need to store the original spectrum ID and reset!
// FIXED : Restore the original spectrum IDs to spectra from ws1
for (size_t i = 0; i < nspec1; ++i)
g_log.information() << "[DBx540] Conjoined spectrum " << i << ": spectrum number = "
<< outws->getSpectrum(i)->getSpectrumNo() << ".\n";
{
specid_t tmpspecid = outws->getSpectrum(i)->getSpectrumNo();
outws->getSpectrum(i)->setSpectrumNo(origspecids[i]);

g_log.information() << "[DBx540] Conjoined spectrum " << i << ": restore spectrum number to "
<< outws->getSpectrum(i)->getSpectrumNo() << " from spectrum number = "
<< tmpspecid << ".\n";
}

// Rename spectrum number
if (offset > 0)
Expand Down

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