From ec591236444bf8dbfdafccd9833eadfd281a1e5c Mon Sep 17 00:00:00 2001
From: Wenduo Zhou <zhouw@ornl.gov>
Date: Tue, 9 Jul 2013 17:45:44 -0400
Subject: [PATCH] Checkpointing work. Refs #7336.
---
.../AlignAndFocusPowder.h | 6 +
.../src/AlignAndFocusPowder.cpp | 1163 +++++++++--------
2 files changed, 642 insertions(+), 527 deletions(-)
diff --git a/Code/Mantid/Framework/WorkflowAlgorithms/inc/MantidWorkflowAlgorithms/AlignAndFocusPowder.h b/Code/Mantid/Framework/WorkflowAlgorithms/inc/MantidWorkflowAlgorithms/AlignAndFocusPowder.h
index bf9111acbfc..af67e012b7e 100644
--- a/Code/Mantid/Framework/WorkflowAlgorithms/inc/MantidWorkflowAlgorithms/AlignAndFocusPowder.h
+++ b/Code/Mantid/Framework/WorkflowAlgorithms/inc/MantidWorkflowAlgorithms/AlignAndFocusPowder.h
@@ -76,6 +76,10 @@ namespace Mantid
void exec();
void loadCalFile(const std::string &calFileName);
void rebin(API::MatrixWorkspace_sptr matrixws);
+
+ API::MatrixWorkspace_sptr conjoinWorkspaces(API::MatrixWorkspace_sptr ws1, API::MatrixWorkspace_sptr ws2,
+ size_t offset);
+
API::MatrixWorkspace_sptr m_inputW;
API::MatrixWorkspace_sptr m_outputW;
DataObjects::EventWorkspace_sptr m_inputEW;
@@ -110,6 +114,8 @@ namespace Mantid
DataObjects::EventWorkspace_sptr m_lowResEW;
/// Flag to process low resolution workspace
bool m_processLowResTOF;
+ /// Offset to low resolution TOF spectra
+ size_t m_lowResSpecOffset;
};
diff --git a/Code/Mantid/Framework/WorkflowAlgorithms/src/AlignAndFocusPowder.cpp b/Code/Mantid/Framework/WorkflowAlgorithms/src/AlignAndFocusPowder.cpp
index aaa4c550dc5..eb163b0eb42 100644
--- a/Code/Mantid/Framework/WorkflowAlgorithms/src/AlignAndFocusPowder.cpp
+++ b/Code/Mantid/Framework/WorkflowAlgorithms/src/AlignAndFocusPowder.cpp
@@ -44,131 +44,137 @@ using namespace Mantid::DataObjects;
namespace Mantid
{
namespace WorkflowAlgorithms
-{
-
-// Register the class into the algorithm factory
-DECLARE_ALGORITHM(AlignAndFocusPowder)
-
-/// Sets documentation strings for this algorithm
-void AlignAndFocusPowder::initDocs()
-{
- this->setWikiSummary("Algorithm to focus powder diffraction data into a number of histograms according to a grouping scheme defined in a [[CalFile]]. ");
- this->setOptionalMessage("Algorithm to focus powder diffraction data into a number of histograms according to a grouping scheme defined in a CalFile.");
-}
+{
+ using namespace Kernel;
+ using API::WorkspaceProperty;
+ using API::MatrixWorkspace_sptr;
+ using API::MatrixWorkspace;
+ using API::FileProperty;
+ // Register the class into the algorithm factory
+ DECLARE_ALGORITHM(AlignAndFocusPowder)
-using namespace Kernel;
-using API::WorkspaceProperty;
-using API::MatrixWorkspace_sptr;
-using API::MatrixWorkspace;
-using API::FileProperty;
-
-/** Initialisation method. Declares properties to be used in algorithm.
- *
- */
-void AlignAndFocusPowder::init()
-{
- declareProperty(
- new WorkspaceProperty<MatrixWorkspace>("InputWorkspace","",Direction::Input),
- "The input workspace" );
- declareProperty(
- new WorkspaceProperty<MatrixWorkspace>("OutputWorkspace","",Direction::Output),
- "The result of diffraction focussing of InputWorkspace" );
- declareProperty(
- new WorkspaceProperty<MatrixWorkspace>("LowResTOFWorkspace", "", Direction::Output, PropertyMode::Optional),
- "The name of the workspace containing the filtered low resolution TOF data.");
- declareProperty(new FileProperty("CalFileName", "", FileProperty::OptionalLoad, ".cal"),
- "The name of the CalFile with offset, masking, and grouping data" );
- declareProperty(new WorkspaceProperty<GroupingWorkspace>("GroupingWorkspace","",Direction::Input, PropertyMode::Optional),
- "Optional: An GroupingWorkspace workspace giving the grouping info.");
- declareProperty(new WorkspaceProperty<OffsetsWorkspace>("OffsetsWorkspace","",Direction::Input, PropertyMode::Optional),
- "Optional: An OffsetsWorkspace workspace giving the detector calibration values.");
- declareProperty(new WorkspaceProperty<MatrixWorkspace>("MaskWorkspace","",Direction::Input, PropertyMode::Optional),
- "Optional: An Workspace workspace giving which detectors are masked.");
- declareProperty(new ArrayProperty<double>("Params"/*, boost::make_shared<RebinParamsValidator>()*/),
- "A comma separated list of first bin boundary, width, last bin boundary. Optionally\n"
- "this can be followed by a comma and more widths and last boundary pairs.\n"
- "Negative width values indicate logarithmic binning.");
- declareProperty("ResampleX", 0,
- "Number of bins in x-axis. Non-zero value overrides \"Params\" property. Negative value means logorithmic binning.");
- setPropertySettings("Params", new EnabledWhenProperty("ResampleX", IS_DEFAULT));
- declareProperty("Dspacing", true,"Bin in Dspace. (True is Dspace; False is TOF)");
- declareProperty(new ArrayProperty<double>("DMin"), "Minimum for Dspace axis. (Default 0.) ");
- declareProperty(new ArrayProperty<double>("DMax"), "Maximum for Dspace axis. (Default 0.) ");
- declareProperty("TMin", 0.0, "Minimum for TOF axis. (Default 0.) ");
- declareProperty("TMax", 0.0, "Maximum for TOF or dspace axis. (Default 0.) ");
- declareProperty("PreserveEvents", true,
- "If the InputWorkspace is an EventWorkspace, this will preserve the full event list (warning: this will use much more memory!).");
- declareProperty("RemovePromptPulseWidth", 0.,
- "Width of events (in microseconds) near the prompt pulse to remove. 0 disables");
- declareProperty("CompressTolerance", 0.01,
- "Compress events (in microseconds) within this tolerance. (Default 0.01) ");
- declareProperty("UnwrapRef", 0., "Reference total flight path for frame unwrapping. Zero skips the correction");
- declareProperty("LowResRef", 0., "Reference DIFC for resolution removal. Zero skips the correction");
- declareProperty("CropWavelengthMin", 0., "Crop the data at this minimum wavelength. Overrides LowResRef.");
- declareProperty("PrimaryFlightPath", -1.0, "If positive, focus positions are changed. (Default -1) ");
- declareProperty(new ArrayProperty<int32_t>("SpectrumIDs"),
- "Optional: Spectrum IDs (note that it is not detector ID or workspace indices).");
- declareProperty(new ArrayProperty<double>("L2"), "Optional: Secondary flight (L2) paths for each detector");
- declareProperty(new ArrayProperty<double>("Polar"), "Optional: Polar angles (two thetas) for detectors");
- declareProperty(new ArrayProperty<double>("Azimuthal"), "Azimuthal angles (out-of-plain) for detectors");
-
-}
-
-/** Executes the algorithm
- *
- * @throw Exception::FileError If the grouping file cannot be opened or read successfully
- * @throw runtime_error If unable to run one of the Child Algorithms successfully
- */
-void AlignAndFocusPowder::exec()
-{
- // retrieve the properties
- m_inputW = getProperty("InputWorkspace");
- m_inputEW = boost::dynamic_pointer_cast<EventWorkspace>( m_inputW );
- m_instName = m_inputW->getInstrument()->getName();
- m_instName = Kernel::ConfigService::Instance().getInstrument(m_instName).shortName();
- std::string calFileName = getPropertyValue("CalFileName");
- m_offsetsWS = getProperty("OffsetsWorkspace");
- m_maskWS = getProperty("MaskWorkspace");
- m_groupWS = getProperty("GroupingWorkspace");
- l1 = getProperty("PrimaryFlightPath");
- specids = getProperty("SpectrumIDs");
- l2s = getProperty("L2");
- tths = getProperty("Polar");
- phis = getProperty("Azimuthal");
- m_params=getProperty("Params");
- dspace = getProperty("DSpacing");
- m_dmins = getProperty("DMin");
- m_dmaxs = getProperty("DMax");
- double dmin = 0.;
- if (!m_dmins.empty())
- dmin = m_dmins[0];
- double dmax = 0.;
- if (!m_dmaxs.empty())
- dmax = m_dmaxs[0];
- LRef = getProperty("UnwrapRef");
- DIFCref = getProperty("LowResRef");
- minwl = getProperty("CropWavelengthMin");
- tmin = getProperty("TMin");
- tmax = getProperty("TMax");
- m_preserveEvents = getProperty("PreserveEvents");
- m_resampleX = getProperty("ResampleX");
- // determine some bits about d-space and binning
- if (m_resampleX != 0)
+ //----------------------------------------------------------------------------------------------
+ /** Sets documentation strings for this algorithm
+ */
+ void AlignAndFocusPowder::initDocs()
{
- m_params.clear(); // ignore the normal rebin parameters
+ this->setWikiSummary("Algorithm to focus powder diffraction data into a number of histograms "
+ "according to a grouping scheme defined in a [[CalFile]]. ");
+ this->setOptionalMessage("Algorithm to focus powder diffraction data into a number of histograms "
+ "according to a grouping scheme defined in a CalFile.");
}
- else if (m_params.size() == 1)
- {
- if (dmax > 0.)
- dspace = true;
- else
- dspace=false;
- }
- if (dspace)
- {
- if (m_params.size() == 1 && dmax > 0)
+
+ //----------------------------------------------------------------------------------------------
+ /** Initialisation method. Declares properties to be used in algorithm.
+ */
+ void AlignAndFocusPowder::init()
+ {
+ declareProperty(
+ new WorkspaceProperty<MatrixWorkspace>("InputWorkspace","",Direction::Input),
+ "The input workspace" );
+ declareProperty(
+ new WorkspaceProperty<MatrixWorkspace>("OutputWorkspace","",Direction::Output),
+ "The result of diffraction focussing of InputWorkspace" );
+ // declareProperty(
+ // new WorkspaceProperty<MatrixWorkspace>("LowResTOFWorkspace", "", Direction::Output, PropertyMode::Optional),
+ // "The name of the workspace containing the filtered low resolution TOF data.");
+ declareProperty(new FileProperty("CalFileName", "", FileProperty::OptionalLoad, ".cal"),
+ "The name of the CalFile with offset, masking, and grouping data" );
+ declareProperty(new WorkspaceProperty<GroupingWorkspace>("GroupingWorkspace","",Direction::Input, PropertyMode::Optional),
+ "Optional: An GroupingWorkspace workspace giving the grouping info.");
+ declareProperty(new WorkspaceProperty<OffsetsWorkspace>("OffsetsWorkspace","",Direction::Input, PropertyMode::Optional),
+ "Optional: An OffsetsWorkspace workspace giving the detector calibration values.");
+ declareProperty(new WorkspaceProperty<MatrixWorkspace>("MaskWorkspace","",Direction::Input, PropertyMode::Optional),
+ "Optional: An Workspace workspace giving which detectors are masked.");
+ declareProperty(new ArrayProperty<double>("Params"/*, boost::make_shared<RebinParamsValidator>()*/),
+ "A comma separated list of first bin boundary, width, last bin boundary. Optionally\n"
+ "this can be followed by a comma and more widths and last boundary pairs.\n"
+ "Negative width values indicate logarithmic binning.");
+ declareProperty("ResampleX", 0,
+ "Number of bins in x-axis. Non-zero value overrides \"Params\" property. Negative value means logorithmic binning.");
+ setPropertySettings("Params", new EnabledWhenProperty("ResampleX", IS_DEFAULT));
+ declareProperty("Dspacing", true,"Bin in Dspace. (True is Dspace; False is TOF)");
+ declareProperty(new ArrayProperty<double>("DMin"), "Minimum for Dspace axis. (Default 0.) ");
+ declareProperty(new ArrayProperty<double>("DMax"), "Maximum for Dspace axis. (Default 0.) ");
+ declareProperty("TMin", 0.0, "Minimum for TOF axis. (Default 0.) ");
+ declareProperty("TMax", 0.0, "Maximum for TOF or dspace axis. (Default 0.) ");
+ declareProperty("PreserveEvents", true,
+ "If the InputWorkspace is an EventWorkspace, this will preserve the full event list (warning: this will use much more memory!).");
+ declareProperty("RemovePromptPulseWidth", 0.,
+ "Width of events (in microseconds) near the prompt pulse to remove. 0 disables");
+ declareProperty("CompressTolerance", 0.01,
+ "Compress events (in microseconds) within this tolerance. (Default 0.01) ");
+ declareProperty("UnwrapRef", 0., "Reference total flight path for frame unwrapping. Zero skips the correction");
+ declareProperty("LowResRef", 0., "Reference DIFC for resolution removal. Zero skips the correction");
+ declareProperty("CropWavelengthMin", 0., "Crop the data at this minimum wavelength. Overrides LowResRef.");
+ declareProperty("PrimaryFlightPath", -1.0, "If positive, focus positions are changed. (Default -1) ");
+ declareProperty(new ArrayProperty<int32_t>("SpectrumIDs"),
+ "Optional: Spectrum IDs (note that it is not detector ID or workspace indices).");
+ declareProperty(new ArrayProperty<double>("L2"), "Optional: Secondary flight (L2) paths for each detector");
+ declareProperty(new ArrayProperty<double>("Polar"), "Optional: Polar angles (two thetas) for detectors");
+ declareProperty(new ArrayProperty<double>("Azimuthal"), "Azimuthal angles (out-of-plain) for detectors");
+
+ declareProperty("LowResSpectrumOffset", -1, "Offset on spectrum ID of low resolution spectra from high resolution one. "
+ "If negative, then all the low resolution TOF will not be processed. Otherwise, low resolution TOF "
+ "will be stored in an additional set of spectra. ");
+
+ }
+
+ //----------------------------------------------------------------------------------------------
+ /** Executes the algorithm
+ * @throw Exception::FileError If the grouping file cannot be opened or read successfully
+ * @throw runtime_error If unable to run one of the Child Algorithms successfully
+ */
+ void AlignAndFocusPowder::exec()
+ {
+ // retrieve the properties
+ m_inputW = getProperty("InputWorkspace");
+ m_inputEW = boost::dynamic_pointer_cast<EventWorkspace>( m_inputW );
+ m_instName = m_inputW->getInstrument()->getName();
+ m_instName = Kernel::ConfigService::Instance().getInstrument(m_instName).shortName();
+ std::string calFileName = getPropertyValue("CalFileName");
+ m_offsetsWS = getProperty("OffsetsWorkspace");
+ m_maskWS = getProperty("MaskWorkspace");
+ m_groupWS = getProperty("GroupingWorkspace");
+ l1 = getProperty("PrimaryFlightPath");
+ specids = getProperty("SpectrumIDs");
+ l2s = getProperty("L2");
+ tths = getProperty("Polar");
+ phis = getProperty("Azimuthal");
+ m_params=getProperty("Params");
+ dspace = getProperty("DSpacing");
+ m_dmins = getProperty("DMin");
+ m_dmaxs = getProperty("DMax");
+ double dmin = 0.;
+ if (!m_dmins.empty())
+ dmin = m_dmins[0];
+ double dmax = 0.;
+ if (!m_dmaxs.empty())
+ dmax = m_dmaxs[0];
+ LRef = getProperty("UnwrapRef");
+ DIFCref = getProperty("LowResRef");
+ minwl = getProperty("CropWavelengthMin");
+ tmin = getProperty("TMin");
+ tmax = getProperty("TMax");
+ m_preserveEvents = getProperty("PreserveEvents");
+ m_resampleX = getProperty("ResampleX");
+ // determine some bits about d-space and binning
+ if (m_resampleX != 0)
{
+ m_params.clear(); // ignore the normal rebin parameters
+ }
+ else if (m_params.size() == 1)
+ {
+ if (dmax > 0.)
+ dspace = true;
+ else
+ dspace=false;
+ }
+ if (dspace)
+ {
+ if (m_params.size() == 1 && dmax > 0)
+ {
double step = m_params[0];
m_params.clear();
if (step > 0 || dmin > 0)
@@ -178,12 +184,12 @@ void AlignAndFocusPowder::exec()
m_params.push_back(dmax);
g_log.information() << "d-Spacing Binning: " << m_params[0] << " " << m_params[1] << " " << m_params[2] <<"\n";
}
+ }
}
- }
- else
- {
- if (m_params.size() == 1 && tmax > 0)
+ else
{
+ if (m_params.size() == 1 && tmax > 0)
+ {
double step = m_params[0];
if (step > 0 || tmin > 0)
{
@@ -192,190 +198,192 @@ void AlignAndFocusPowder::exec()
m_params.push_back(tmax);
g_log.information() << "TOF Binning: " << m_params[0] << " " << m_params[1] << " " << m_params[2] <<"\n";
}
+ }
}
- }
- xmin = 0;
- xmax = 0;
- if (tmin > 0.)
- {
- xmin = tmin;
- }
- if (tmax > 0.)
- {
- xmax = tmax;
- }
- if (!dspace && m_params.size() == 3)
- {
- xmin = m_params[0];
- xmax = m_params[2];
- }
-
- loadCalFile(calFileName);
-
-
- // Now setup the output workspace
- m_outputW = getProperty("OutputWorkspace");
- if ( m_outputW == m_inputW )
- {
- if (m_inputEW)
+ xmin = 0;
+ xmax = 0;
+ if (tmin > 0.)
{
- m_outputEW = boost::dynamic_pointer_cast<EventWorkspace>(m_outputW);
+ xmin = tmin;
}
- }
- else
- {
- if (m_inputEW)
+ if (tmax > 0.)
{
- //Make a brand new EventWorkspace
- m_outputEW = boost::dynamic_pointer_cast<EventWorkspace>(
- WorkspaceFactory::Instance().create("EventWorkspace", m_inputEW->getNumberHistograms(), 2, 1));
- //Copy geometry over.
- WorkspaceFactory::Instance().initializeFromParent(m_inputEW, m_outputEW, false);
- //You need to copy over the data as well.
- m_outputEW->copyDataFrom( (*m_inputEW) );
-
- //Cast to the matrixOutputWS and save it
- m_outputW = boost::dynamic_pointer_cast<MatrixWorkspace>(m_outputEW);
- // m_outputW->setName(getProperty("OutputWorkspace"));
+ xmax = tmax;
}
- else
+ if (!dspace && m_params.size() == 3)
{
- // Not-an-event workspace
- m_outputW = WorkspaceFactory::Instance().create(m_inputW);
- // m_outputW->setName(getProperty("OutputWorkspace"));
+ xmin = m_params[0];
+ xmax = m_params[2];
}
- }
- std::string lowreswsname = getPropertyValue("LowResTOFWorkspace");
- MatrixWorkspace_sptr tempws = getProperty("LowResTOFWorkspace");
- if (lowreswsname.size() > 0 || tempws)
- {
- // Process low resolution TOF
- m_processLowResTOF = true;
- if (!m_inputEW)
+ // Low resolution
+ int lowresoffset = getProperty("LowResSpectrumOffset");
+ if (lowresoffset < 0)
{
- throw std::runtime_error("Input workspace is not EventWorkspace. It is not supported now.");
+ m_processLowResTOF = false;
}
else
{
- //Make a brand new EventWorkspace
- m_lowResEW = boost::dynamic_pointer_cast<EventWorkspace>(
- WorkspaceFactory::Instance().create("EventWorkspace", m_inputEW->getNumberHistograms(), 2, 1));
-
- //Cast to the matrixOutputWS and save it
- m_lowResW = boost::dynamic_pointer_cast<MatrixWorkspace>(m_lowResEW);
- // m_lowResW->setName(lowreswsname);
+ m_processLowResTOF = true;
+ m_lowResSpecOffset = static_cast<size_t>(lowresoffset);
}
- }
- else
- {
- // Ignore low resolution TOF
- m_processLowResTOF = false;
- }
- // filter the input events if appropriate
- if (m_inputEW)
- {
- double removePromptPulseWidth = getProperty("RemovePromptPulseWidth");
- if (removePromptPulseWidth > 0.)
- {
- g_log.information() << "running RemovePromptPulse(Width="
- << removePromptPulseWidth << ")\n";
- API::IAlgorithm_sptr filterPAlg = createChildAlgorithm("RemovePromptPulse");
- filterPAlg->setProperty("InputWorkspace", m_outputW);
- filterPAlg->setProperty("OutputWorkspace", m_outputW);
- filterPAlg->setProperty("Width", removePromptPulseWidth);
- filterPAlg->executeAsChildAlg();
- m_outputW = filterPAlg->getProperty("OutputWorkspace");
- m_outputEW = boost::dynamic_pointer_cast<EventWorkspace>(m_outputW);
- }
-
- double tolerance = getProperty("CompressTolerance");
- if (tolerance > 0.)
- {
- g_log.information() << "running CompressEvents(Tolerance=" << tolerance << ")\n";
- API::IAlgorithm_sptr compressAlg = createChildAlgorithm("CompressEvents");
- compressAlg->setProperty("InputWorkspace", m_outputEW);
- compressAlg->setProperty("OutputWorkspace", m_outputEW);
- compressAlg->setProperty("OutputWorkspace", m_outputEW);
- compressAlg->setProperty("Tolerance",tolerance);
- compressAlg->executeAsChildAlg();
- m_outputEW = compressAlg->getProperty("OutputWorkspace");
- m_outputW = boost::dynamic_pointer_cast<MatrixWorkspace>(m_outputEW);
+ loadCalFile(calFileName);
+
+ // Now setup the output workspace
+ m_outputW = getProperty("OutputWorkspace");
+ if ( m_outputW == m_inputW )
+ {
+ if (m_inputEW)
+ {
+ m_outputEW = boost::dynamic_pointer_cast<EventWorkspace>(m_outputW);
+ }
}
else
{
- g_log.information() << "Not compressing event list\n";
- doSortEvents(m_outputW); // still sort to help some thing out
+ if (m_inputEW)
+ {
+ //Make a brand new EventWorkspace
+ m_outputEW = boost::dynamic_pointer_cast<EventWorkspace>(
+ WorkspaceFactory::Instance().create("EventWorkspace", m_inputEW->getNumberHistograms(), 2, 1));
+ //Copy geometry over.
+ WorkspaceFactory::Instance().initializeFromParent(m_inputEW, m_outputEW, false);
+ //You need to copy over the data as well.
+ m_outputEW->copyDataFrom( (*m_inputEW) );
+
+ //Cast to the matrixOutputWS and save it
+ m_outputW = boost::dynamic_pointer_cast<MatrixWorkspace>(m_outputEW);
+ // m_outputW->setName(getProperty("OutputWorkspace"));
+ }
+ else
+ {
+ // Not-an-event workspace
+ m_outputW = WorkspaceFactory::Instance().create(m_inputW);
+ // m_outputW->setName(getProperty("OutputWorkspace"));
+ }
}
- }
- if (xmin > 0. || xmax > 0.)
- {
- bool doCorrection(true);
- if (m_outputEW) { // extra check for event workspaces
- doCorrection = (m_outputEW->getNumberEvents() > 0);
- }
-
- if (doCorrection) {
- g_log.information() << "running CropWorkspace(Xmin=" << xmin
- << ", Xmax=" << xmax << ")\n" ;
- API::IAlgorithm_sptr cropAlg = createChildAlgorithm("CropWorkspace");
- cropAlg->setProperty("InputWorkspace", m_outputW);
- cropAlg->setProperty("OutputWorkspace", m_outputW);
- if (xmin > 0.)cropAlg->setProperty("Xmin", xmin);
- if (xmax > 0.)cropAlg->setProperty("Xmax", xmax);
- cropAlg->executeAsChildAlg();
- m_outputW = cropAlg->getProperty("OutputWorkspace");
+ if (m_processLowResTOF)
+ {
+ if (!m_inputEW)
+ {
+ throw std::runtime_error("Input workspace is not EventWorkspace. It is not supported now.");
+ }
+ else
+ {
+ //Make a brand new EventWorkspace
+ m_lowResEW = boost::dynamic_pointer_cast<EventWorkspace>(
+ WorkspaceFactory::Instance().create("EventWorkspace", m_inputEW->getNumberHistograms(), 2, 1));
+
+ //Cast to the matrixOutputWS and save it
+ m_lowResW = boost::dynamic_pointer_cast<MatrixWorkspace>(m_lowResEW);
+ // m_lowResW->setName(lowreswsname);
+ }
}
- }
- g_log.information() << "running MaskDetectors\n";
- API::IAlgorithm_sptr maskAlg = createChildAlgorithm("MaskDetectors");
- maskAlg->setProperty("Workspace", m_outputW);
- maskAlg->setProperty("MaskedWorkspace", m_maskWS);
- maskAlg->executeAsChildAlg();
- m_outputW = maskAlg->getProperty("Workspace");
+ // filter the input events if appropriate
+ if (m_inputEW)
+ {
+ double removePromptPulseWidth = getProperty("RemovePromptPulseWidth");
+ if (removePromptPulseWidth > 0.)
+ {
+ g_log.information() << "running RemovePromptPulse(Width="
+ << removePromptPulseWidth << ")\n";
+ API::IAlgorithm_sptr filterPAlg = createChildAlgorithm("RemovePromptPulse");
+ filterPAlg->setProperty("InputWorkspace", m_outputW);
+ filterPAlg->setProperty("OutputWorkspace", m_outputW);
+ filterPAlg->setProperty("Width", removePromptPulseWidth);
+ filterPAlg->executeAsChildAlg();
+ m_outputW = filterPAlg->getProperty("OutputWorkspace");
+ m_outputEW = boost::dynamic_pointer_cast<EventWorkspace>(m_outputW);
+ }
- if(!dspace)
- this->rebin(m_outputW);
+ double tolerance = getProperty("CompressTolerance");
+ if (tolerance > 0.)
+ {
+ g_log.information() << "running CompressEvents(Tolerance=" << tolerance << ")\n";
+ API::IAlgorithm_sptr compressAlg = createChildAlgorithm("CompressEvents");
+ compressAlg->setProperty("InputWorkspace", m_outputEW);
+ compressAlg->setProperty("OutputWorkspace", m_outputEW);
+ compressAlg->setProperty("OutputWorkspace", m_outputEW);
+ compressAlg->setProperty("Tolerance",tolerance);
+ compressAlg->executeAsChildAlg();
+ m_outputEW = compressAlg->getProperty("OutputWorkspace");
+ m_outputW = boost::dynamic_pointer_cast<MatrixWorkspace>(m_outputEW);
+ }
+ else
+ {
+ g_log.information() << "Not compressing event list\n";
+ doSortEvents(m_outputW); // still sort to help some thing out
+ }
+ }
- g_log.information() << "running AlignDetectors\n";
- API::IAlgorithm_sptr alignAlg = createChildAlgorithm("AlignDetectors");
- alignAlg->setProperty("InputWorkspace", m_outputW);
- alignAlg->setProperty("OutputWorkspace", m_outputW);
- alignAlg->setProperty("OffsetsWorkspace", m_offsetsWS);
- alignAlg->executeAsChildAlg();
- m_outputW = alignAlg->getProperty("OutputWorkspace");
+ if (xmin > 0. || xmax > 0.)
+ {
+ bool doCorrection(true);
+ if (m_outputEW) { // extra check for event workspaces
+ doCorrection = (m_outputEW->getNumberEvents() > 0);
+ }
- if(LRef > 0. || minwl > 0. || DIFCref > 0.)
- {
+ if (doCorrection) {
+ g_log.information() << "running CropWorkspace(Xmin=" << xmin
+ << ", Xmax=" << xmax << ")\n" ;
+ API::IAlgorithm_sptr cropAlg = createChildAlgorithm("CropWorkspace");
+ cropAlg->setProperty("InputWorkspace", m_outputW);
+ cropAlg->setProperty("OutputWorkspace", m_outputW);
+ if (xmin > 0.)cropAlg->setProperty("Xmin", xmin);
+ if (xmax > 0.)cropAlg->setProperty("Xmax", xmax);
+ cropAlg->executeAsChildAlg();
+ m_outputW = cropAlg->getProperty("OutputWorkspace");
+ }
+ }
+
+ g_log.information() << "running MaskDetectors\n";
+ API::IAlgorithm_sptr maskAlg = createChildAlgorithm("MaskDetectors");
+ maskAlg->setProperty("Workspace", m_outputW);
+ maskAlg->setProperty("MaskedWorkspace", m_maskWS);
+ maskAlg->executeAsChildAlg();
+ m_outputW = maskAlg->getProperty("Workspace");
+
+ if(!dspace)
+ this->rebin(m_outputW);
+
+ g_log.information() << "running AlignDetectors\n";
+ API::IAlgorithm_sptr alignAlg = createChildAlgorithm("AlignDetectors");
+ alignAlg->setProperty("InputWorkspace", m_outputW);
+ alignAlg->setProperty("OutputWorkspace", m_outputW);
+ alignAlg->setProperty("OffsetsWorkspace", m_offsetsWS);
+ alignAlg->executeAsChildAlg();
+ m_outputW = alignAlg->getProperty("OutputWorkspace");
+
+ if(LRef > 0. || minwl > 0. || DIFCref > 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");
- }
+ 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");
+ }
- // Beyond this point, low resolution TOF workspace is considered.
- if(LRef > 0.)
- {
+ // Beyond this point, low resolution TOF workspace is considered.
+ if(LRef > 0.)
+ {
g_log.information() << "running UnwrapSNS(LRef=" << LRef
<< ",Tmin=" << tmin << ",Tmax=" << tmax <<")\n";
- API::IAlgorithm_sptr removeAlg = createChildAlgorithm("UnwrapSNS");
- removeAlg->setProperty("InputWorkspace", m_outputW);
- removeAlg->setProperty("OutputWorkspace", m_outputW);
- removeAlg->setProperty("LRef",LRef);
- if(tmin > 0.) removeAlg->setProperty("Tmin",tmin);
- if(tmax > tmin) removeAlg->setProperty("Tmax",tmax);
- removeAlg->executeAsChildAlg();
- m_outputW = removeAlg->getProperty("OutputWorkspace");
- }
+ API::IAlgorithm_sptr removeAlg = createChildAlgorithm("UnwrapSNS");
+ removeAlg->setProperty("InputWorkspace", m_outputW);
+ removeAlg->setProperty("OutputWorkspace", m_outputW);
+ removeAlg->setProperty("LRef",LRef);
+ if(tmin > 0.) removeAlg->setProperty("Tmin",tmin);
+ if(tmax > tmin) removeAlg->setProperty("Tmax",tmax);
+ removeAlg->executeAsChildAlg();
+ m_outputW = removeAlg->getProperty("OutputWorkspace");
+ }
- if(minwl > 0.)
- {
+ if(minwl > 0.)
+ {
g_log.information() << "running RemoveLowResTOF(MinWavelength=" << minwl
<< ",Tmin=" << tmin << ". ";
EventWorkspace_sptr ews = boost::dynamic_pointer_cast<EventWorkspace>(m_outputW);
@@ -383,21 +391,21 @@ void AlignAndFocusPowder::exec()
g_log.information() << "Number of events = " << ews->getNumberEvents() << ". ";
g_log.information("\n");
- API::IAlgorithm_sptr removeAlg = createChildAlgorithm("RemoveLowResTOF");
- removeAlg->setProperty("InputWorkspace", m_outputW);
- removeAlg->setProperty("OutputWorkspace", m_outputW);
- removeAlg->setProperty("MinWavelength",minwl);
- if(tmin > 0.) removeAlg->setProperty("Tmin",tmin);
- if (m_processLowResTOF)
- removeAlg->setProperty("LowResTOFWorkspace", m_lowResW);
-
- removeAlg->executeAsChildAlg();
- m_outputW = removeAlg->getProperty("OutputWorkspace");
- if (m_processLowResTOF)
- m_lowResW = removeAlg->getProperty("LowResTOFWorkspace");
- }
- else if(DIFCref > 0.)
- {
+ API::IAlgorithm_sptr removeAlg = createChildAlgorithm("RemoveLowResTOF");
+ removeAlg->setProperty("InputWorkspace", m_outputW);
+ removeAlg->setProperty("OutputWorkspace", m_outputW);
+ removeAlg->setProperty("MinWavelength",minwl);
+ if(tmin > 0.) removeAlg->setProperty("Tmin",tmin);
+ if (m_processLowResTOF)
+ removeAlg->setProperty("LowResTOFWorkspace", m_lowResW);
+
+ removeAlg->executeAsChildAlg();
+ m_outputW = removeAlg->getProperty("OutputWorkspace");
+ if (m_processLowResTOF)
+ m_lowResW = removeAlg->getProperty("LowResTOFWorkspace");
+ }
+ else if(DIFCref > 0.)
+ {
g_log.information() << "running RemoveLowResTof(RefDIFC=" << DIFCref
<< ",K=3.22)\n";
EventWorkspace_sptr ews = boost::dynamic_pointer_cast<EventWorkspace>(m_outputW);
@@ -405,291 +413,392 @@ void AlignAndFocusPowder::exec()
g_log.information() << "Number of events = " << ews->getNumberEvents() << ". ";
g_log.information("\n");
- API::IAlgorithm_sptr removeAlg = createChildAlgorithm("RemoveLowResTOF");
- removeAlg->setProperty("InputWorkspace", m_outputW);
- removeAlg->setProperty("OutputWorkspace", m_outputW);
- removeAlg->setProperty("ReferenceDIFC",DIFCref);
- removeAlg->setProperty("K",3.22);
- if(tmin > 0.) removeAlg->setProperty("Tmin",tmin);
- if (m_processLowResTOF)
- removeAlg->setProperty("LowResTOFWorkspace", m_lowResW);
-
- removeAlg->executeAsChildAlg();
- m_outputW = removeAlg->getProperty("OutputWorkspace");
- if (m_processLowResTOF)
- m_lowResW = removeAlg->getProperty("LowResTOFWorkspace");
- }
+ API::IAlgorithm_sptr removeAlg = createChildAlgorithm("RemoveLowResTOF");
+ removeAlg->setProperty("InputWorkspace", m_outputW);
+ removeAlg->setProperty("OutputWorkspace", m_outputW);
+ removeAlg->setProperty("ReferenceDIFC",DIFCref);
+ removeAlg->setProperty("K",3.22);
+ if(tmin > 0.) removeAlg->setProperty("Tmin",tmin);
+ if (m_processLowResTOF)
+ removeAlg->setProperty("LowResTOFWorkspace", m_lowResW);
+
+ removeAlg->executeAsChildAlg();
+ m_outputW = removeAlg->getProperty("OutputWorkspace");
+ if (m_processLowResTOF)
+ m_lowResW = removeAlg->getProperty("LowResTOFWorkspace");
+ }
- EventWorkspace_sptr ews = boost::dynamic_pointer_cast<EventWorkspace>(m_outputW);
- if (ews)
- {
- size_t numhighevents = ews->getNumberEvents();
- size_t numlowevents = 0;
- if (m_processLowResTOF)
+ EventWorkspace_sptr ews = boost::dynamic_pointer_cast<EventWorkspace>(m_outputW);
+ if (ews)
{
- EventWorkspace_sptr lowes = boost::dynamic_pointer_cast<EventWorkspace>(m_lowResW);
- numlowevents = lowes->getNumberEvents();
- g_log.information() << "Number of high TOF events = " << numhighevents << "; "
- << "Number of low TOF events = " << numlowevents << ".\n";
+ size_t numhighevents = ews->getNumberEvents();
+ size_t numlowevents = 0;
+ if (m_processLowResTOF)
+ {
+ EventWorkspace_sptr lowes = boost::dynamic_pointer_cast<EventWorkspace>(m_lowResW);
+ numlowevents = lowes->getNumberEvents();
+ g_log.information() << "Number of high TOF events = " << numhighevents << "; "
+ << "Number of low TOF events = " << numlowevents << ".\n";
+ }
}
- }
- // Convert units
- if(LRef > 0. || minwl > 0. || DIFCref > 0.)
- {
- g_log.information() << "running ConvertUnits(Target=dSpacing)\n";
- API::IAlgorithm_sptr convert2Alg = createChildAlgorithm("ConvertUnits");
- convert2Alg->setProperty("InputWorkspace", m_outputW);
- convert2Alg->setProperty("OutputWorkspace", m_outputW);
- convert2Alg->setProperty("Target","dSpacing");
- convert2Alg->executeAsChildAlg();
- m_outputW = convert2Alg->getProperty("OutputWorkspace");
+ // FIXME - Refactor beyond this point!
- if (m_processLowResTOF)
+ // Convert units
+ if(LRef > 0. || minwl > 0. || DIFCref > 0.)
{
+ g_log.information() << "running ConvertUnits(Target=dSpacing)\n";
API::IAlgorithm_sptr convert2Alg = createChildAlgorithm("ConvertUnits");
- convert2Alg->setProperty("InputWorkspace", m_lowResW);
- convert2Alg->setProperty("OutputWorkspace", m_lowResW);
+ convert2Alg->setProperty("InputWorkspace", m_outputW);
+ convert2Alg->setProperty("OutputWorkspace", m_outputW);
convert2Alg->setProperty("Target","dSpacing");
convert2Alg->executeAsChildAlg();
- m_lowResW = convert2Alg->getProperty("OutputWorkspace");
+ m_outputW = convert2Alg->getProperty("OutputWorkspace");
+
+ if (m_processLowResTOF)
+ {
+ API::IAlgorithm_sptr convert2Alg = createChildAlgorithm("ConvertUnits");
+ convert2Alg->setProperty("InputWorkspace", m_lowResW);
+ convert2Alg->setProperty("OutputWorkspace", m_lowResW);
+ convert2Alg->setProperty("Target","dSpacing");
+ convert2Alg->executeAsChildAlg();
+ m_lowResW = convert2Alg->getProperty("OutputWorkspace");
+ }
}
- }
- if(dspace)
- {
- this->rebin(m_outputW);
+ if(dspace)
+ {
+ this->rebin(m_outputW);
+ if (m_processLowResTOF)
+ rebin(m_lowResW);
+ }
+
+ doSortEvents(m_outputW);
if (m_processLowResTOF)
- rebin(m_lowResW);
- }
+ doSortEvents(m_lowResW);
- doSortEvents(m_outputW);
- if (m_processLowResTOF)
- doSortEvents(m_lowResW);
-
- // Diffraction focus
- g_log.information() << "running DiffractionFocussing. \n";
- API::IAlgorithm_sptr focusAlg = createChildAlgorithm("DiffractionFocussing");
- focusAlg->setProperty("InputWorkspace", m_outputW);
- focusAlg->setProperty("OutputWorkspace", m_outputW);
- focusAlg->setProperty("GroupingWorkspace", m_groupWS);
- focusAlg->setProperty("PreserveEvents", m_preserveEvents);
- focusAlg->executeAsChildAlg();
- m_outputW = focusAlg->getProperty("OutputWorkspace");
- if (m_processLowResTOF)
- {
+ // Diffraction focus
+ g_log.information() << "running DiffractionFocussing. \n";
API::IAlgorithm_sptr focusAlg = createChildAlgorithm("DiffractionFocussing");
- focusAlg->setProperty("InputWorkspace", m_lowResW);
- focusAlg->setProperty("OutputWorkspace", m_lowResW);
+ focusAlg->setProperty("InputWorkspace", m_outputW);
+ focusAlg->setProperty("OutputWorkspace", m_outputW);
focusAlg->setProperty("GroupingWorkspace", m_groupWS);
focusAlg->setProperty("PreserveEvents", m_preserveEvents);
focusAlg->executeAsChildAlg();
- m_lowResW = focusAlg->getProperty("OutputWorkspace");
- }
-
- doSortEvents(m_outputW);
- if (m_processLowResTOF)
- doSortEvents(m_lowResW);
+ m_outputW = focusAlg->getProperty("OutputWorkspace");
+ if (m_processLowResTOF)
+ {
+ API::IAlgorithm_sptr focusAlg = createChildAlgorithm("DiffractionFocussing");
+ focusAlg->setProperty("InputWorkspace", m_lowResW);
+ focusAlg->setProperty("OutputWorkspace", m_lowResW);
+ focusAlg->setProperty("GroupingWorkspace", m_groupWS);
+ focusAlg->setProperty("PreserveEvents", m_preserveEvents);
+ focusAlg->executeAsChildAlg();
+ m_lowResW = focusAlg->getProperty("OutputWorkspace");
+ }
- // this next call should probably be in for rebin as well
- // but it changes the system tests
- if (dspace && m_resampleX != 0)
- {
- this->rebin(m_outputW);
+ doSortEvents(m_outputW);
if (m_processLowResTOF)
- rebin(m_lowResW);
- }
+ doSortEvents(m_lowResW);
- if (l1 > 0)
- {
- // Edit instrument
- throw std::runtime_error("Need to polish this part.");
-
- g_log.information() << "running EditInstrumentGeometry\n";
- API::IAlgorithm_sptr editAlg = createChildAlgorithm("EditInstrumentGeometry");
- editAlg->setProperty("Workspace", m_outputW);
- editAlg->setProperty("PrimaryFlightPath", l1);
- editAlg->setProperty("Polar", tths);
- editAlg->setProperty("SpectrumIDs", specids);
- editAlg->setProperty("L2", l2s);
- editAlg->setProperty("Azimuthal", phis);
- editAlg->executeAsChildAlg();
- m_outputW = editAlg->getProperty("Workspace");
+ // this next call should probably be in for rebin as well
+ // but it changes the system tests
+ if (dspace && m_resampleX != 0)
+ {
+ this->rebin(m_outputW);
+ if (m_processLowResTOF)
+ rebin(m_lowResW);
+ }
- if (m_processLowResTOF)
+ if (l1 > 0)
{
+ size_t numreg = m_outputW->getNumberHistograms();
+ size_t numlow = 0;
+
+ std::vector<double> vec_polar_reg(numreg, 0.);
+ std::copy(tths.begin(), (tths.begin()+numreg), vec_polar_reg.begin());
+ std::vector<int32_t> vec_specid_reg(numreg, 0);
+ std::copy(specids.begin(), (specids.begin()+numreg), vec_specid_reg.begin());
+ std::vector<double> vec_l2_reg(numreg, 0.);
+ std::copy(l2s.begin(), (l2s.begin()+numreg), vec_l2_reg.begin());
+ std::vector<double> vec_azimuthal_reg(numreg, 0.);
+ std::copy(phis.begin(), (phis.begin()+numreg), vec_azimuthal_reg.begin());
+
+ // Edit instrument
+ g_log.information() << "running EditInstrumentGeometry\n";
API::IAlgorithm_sptr editAlg = createChildAlgorithm("EditInstrumentGeometry");
- editAlg->setProperty("Workspace", m_lowResW);
+ editAlg->setProperty("Workspace", m_outputW);
editAlg->setProperty("PrimaryFlightPath", l1);
- editAlg->setProperty("Polar", tths);
- editAlg->setProperty("SpectrumIDs", specids);
- editAlg->setProperty("L2", l2s);
- editAlg->setProperty("Azimuthal", phis);
+ editAlg->setProperty("Polar", vec_polar_reg);
+ editAlg->setProperty("SpectrumIDs", vec_specid_reg);
+ editAlg->setProperty("L2", vec_l2_reg);
+ editAlg->setProperty("Azimuthal", vec_azimuthal_reg);
editAlg->executeAsChildAlg();
- m_lowResW = editAlg->getProperty("Workspace");
+ m_outputW = editAlg->getProperty("Workspace");
+
+ if (m_processLowResTOF)
+ {
+ std::vector<double> vec_polar_low(numlow, 0.);
+ std::copy((tths.begin()+numreg), tths.end(), vec_polar_low.begin());
+ std::vector<int32_t> vec_specid_low(numlow, 0);
+ std::copy((specids.begin()+numreg), specids.end(), vec_specid_low.begin());
+ std::vector<double> vec_l2_low(numlow, 0.);
+ std::copy((l2s.begin()+numreg), l2s.end(), vec_l2_low.begin());
+ std::vector<double> vec_azimuthal_low(numlow, 0.);
+ std::copy((phis.begin()+numreg), phis.end(), vec_azimuthal_low.begin());
+
+ API::IAlgorithm_sptr editAlg = createChildAlgorithm("EditInstrumentGeometry");
+ editAlg->setProperty("Workspace", m_lowResW);
+ editAlg->setProperty("PrimaryFlightPath", l1);
+ editAlg->setProperty("Polar", vec_polar_low);
+ editAlg->setProperty("SpectrumIDs", vec_specid_low);
+ editAlg->setProperty("L2", vec_l2_low);
+ editAlg->setProperty("Azimuthal", vec_azimuthal_low);
+ editAlg->executeAsChildAlg();
+ m_lowResW = editAlg->getProperty("Workspace");
+ }
}
- }
- // Convert units to TOF
- 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");
+ // Conjoin 2 workspaces if there is low resolution
+ if (m_processLowResTOF)
+ {
+ m_outputW = conjoinWorkspaces(m_outputW, m_lowResW, m_lowResSpecOffset);
+ }
- if (m_processLowResTOF)
- {
+ // Convert units to TOF
+ g_log.information() << "running ConvertUnits\n";
API::IAlgorithm_sptr convert3Alg = createChildAlgorithm("ConvertUnits");
- convert3Alg->setProperty("InputWorkspace", m_lowResW);
- convert3Alg->setProperty("OutputWorkspace", m_lowResW);
+ convert3Alg->setProperty("InputWorkspace", m_outputW);
+ convert3Alg->setProperty("OutputWorkspace", m_outputW);
convert3Alg->setProperty("Target","TOF");
convert3Alg->executeAsChildAlg();
- m_lowResW = convert3Alg->getProperty("OutputWorkspace");
- }
+ m_outputW = convert3Alg->getProperty("OutputWorkspace");
- if ((!m_params.empty()) && (m_params.size() != 1))
- {
- m_params.erase(m_params.begin());
- m_params.pop_back();
+ /*
+ if (m_processLowResTOF)
+ {
+ API::IAlgorithm_sptr convert3Alg = createChildAlgorithm("ConvertUnits");
+ convert3Alg->setProperty("InputWorkspace", m_lowResW);
+ convert3Alg->setProperty("OutputWorkspace", m_lowResW);
+ convert3Alg->setProperty("Target","TOF");
+ convert3Alg->executeAsChildAlg();
+ m_lowResW = convert3Alg->getProperty("OutputWorkspace");
+ }
+ */
+
+ if ((!m_params.empty()) && (m_params.size() != 1))
+ {
+ m_params.erase(m_params.begin());
+ m_params.pop_back();
+ }
+ if (!m_dmins.empty())
+ m_dmins.clear();
+ if (!m_dmaxs.empty())
+ m_dmaxs.clear();
+
+ this->rebin(m_outputW);
+ /*
+ if (m_processLowResTOF)
+ rebin(m_lowResW);
+ */
+
+ // return the output workspace
+ setProperty("OutputWorkspace",m_outputW);
+
+ //if (m_processLowResTOF)
+ // setProperty("LowResTOFWorkspace", m_lowResW);
+
+ return;
}
- if (!m_dmins.empty())
- m_dmins.clear();
- if (!m_dmaxs.empty())
- m_dmaxs.clear();
-
- this->rebin(m_outputW);
- if (m_processLowResTOF)
- rebin(m_lowResW);
-
- // return the output workspace
- setProperty("OutputWorkspace",m_outputW);
- if (m_processLowResTOF)
- setProperty("LowResTOFWorkspace", m_lowResW);
-}
-
-/** Rebin
+
+ //----------------------------------------------------------------------------------------------
+ /** Rebin
*/
-void AlignAndFocusPowder::rebin(API::MatrixWorkspace_sptr matrixws)
-{
- if (m_resampleX != 0)
+ void AlignAndFocusPowder::rebin(API::MatrixWorkspace_sptr matrixws)
{
- // ResampleX
- g_log.information() << "running ResampleX(NumberBins=" << abs(m_resampleX)
- << ", LogBinning=" << (m_resampleX < 0)
- << ", dMin(" << m_dmins.size() << "), dmax(" << m_dmaxs.size() << "))\n";
- API::IAlgorithm_sptr alg = createChildAlgorithm("ResampleX");
- alg->setProperty("InputWorkspace", matrixws);
- alg->setProperty("OutputWorkspace", matrixws);
- if ((!m_dmins.empty()) && (!m_dmaxs.empty()))
- {
- size_t numHist = m_outputW->getNumberHistograms();
- if ((numHist == m_dmins.size()) && (numHist == m_dmaxs.size()))
- {
- alg->setProperty("XMin", m_dmins);
- alg->setProperty("XMax", m_dmaxs);
- }
- else
+ if (m_resampleX != 0)
+ {
+ // ResampleX
+ g_log.information() << "running ResampleX(NumberBins=" << abs(m_resampleX)
+ << ", LogBinning=" << (m_resampleX < 0)
+ << ", dMin(" << m_dmins.size() << "), dmax(" << m_dmaxs.size() << "))\n";
+ API::IAlgorithm_sptr alg = createChildAlgorithm("ResampleX");
+ alg->setProperty("InputWorkspace", matrixws);
+ alg->setProperty("OutputWorkspace", matrixws);
+ if ((!m_dmins.empty()) && (!m_dmaxs.empty()))
{
- g_log.information() << "Number of dmin and dmax values don't match the "
- << "number of workspace indices. Ignoring the parameters.\n";
+ size_t numHist = m_outputW->getNumberHistograms();
+ if ((numHist == m_dmins.size()) && (numHist == m_dmaxs.size()))
+ {
+ alg->setProperty("XMin", m_dmins);
+ alg->setProperty("XMax", m_dmaxs);
+ }
+ else
+ {
+ g_log.information() << "Number of dmin and dmax values don't match the "
+ << "number of workspace indices. Ignoring the parameters.\n";
+ }
}
+ alg->setProperty("NumberBins", abs(m_resampleX));
+ alg->setProperty("LogBinning", (m_resampleX < 0));
+ alg->executeAsChildAlg();
+ matrixws = alg->getProperty("OutputWorkspace");
+ }
+ else
+ {
+ g_log.information() << "running Rebin( ";
+ for (auto param = m_params.begin(); param != m_params.end(); ++param)
+ g_log.information() << (*param) << " ";
+ g_log.information() << ")\n";
+ API::IAlgorithm_sptr rebin3Alg = createChildAlgorithm("Rebin");
+ rebin3Alg->setProperty("InputWorkspace", matrixws);
+ rebin3Alg->setProperty("OutputWorkspace", matrixws);
+ rebin3Alg->setProperty("Params",m_params);
+ rebin3Alg->executeAsChildAlg();
+ matrixws = rebin3Alg->getProperty("OutputWorkspace");
}
- alg->setProperty("NumberBins", abs(m_resampleX));
- alg->setProperty("LogBinning", (m_resampleX < 0));
- alg->executeAsChildAlg();
- matrixws = alg->getProperty("OutputWorkspace");
}
- else
+
+ //----------------------------------------------------------------------------------------------
+ /** Add workspace2 to workspace1 by adding spectrum.
+ */
+ MatrixWorkspace_sptr AlignAndFocusPowder::conjoinWorkspaces(API::MatrixWorkspace_sptr ws1,
+ API::MatrixWorkspace_sptr ws2, size_t offset)
{
- g_log.information() << "running Rebin( ";
- for (auto param = m_params.begin(); param != m_params.end(); ++param)
- g_log.information() << (*param) << " ";
- g_log.information() << ")\n";
- API::IAlgorithm_sptr rebin3Alg = createChildAlgorithm("Rebin");
- rebin3Alg->setProperty("InputWorkspace", matrixws);
- rebin3Alg->setProperty("OutputWorkspace", matrixws);
- rebin3Alg->setProperty("Params",m_params);
- rebin3Alg->executeAsChildAlg();
- matrixws = rebin3Alg->getProperty("OutputWorkspace");
- }
-}
+ // Get information from ws1: maximum spectrum number
+ size_t nspec1 = ws1->getNumberHistograms();
+ specid_t maxspecid1 = 0;
+ for (size_t i = 0; i < nspec1; ++i)
+ {
+ specid_t tmpspecid = ws1->getSpectrum(i)->getSpectrumNo();
+ if (tmpspecid > maxspecid1)
+ maxspecid1 = tmpspecid;
+ }
-/**
- * Loads the .cal file if necessary.
- */
-void AlignAndFocusPowder::loadCalFile(const std::string &calFileName)
-{
+ g_log.information() << "[DBx536] Max spectrum number of ws1 = " << maxspecid1
+ << ", Offset = " << offset << ".\n";
- // check if the workspaces exist with their canonical names so they are not reloaded for chunks
- if (!m_groupWS)
- {
- try {
- m_groupWS = AnalysisDataService::Instance().retrieveWS<GroupingWorkspace>(m_instName+"_group");
- } catch (Exception::NotFoundError&) {
- ; // not noteworthy
+ size_t nspec2 = ws2->getNumberHistograms();
+
+ // Conjoin 2 workspaces
+ Algorithm_sptr alg = this->createChildAlgorithm("AppendSpectra");
+ alg->initialize();;
+
+ alg->setProperty("InputWorkspace1", ws1);
+ alg->setProperty("InputWorkspace2", ws2);
+ alg->setProperty("OutputWorkspace", ws1);
+ alg->setProperty("ValidateInputs", false);
+
+ alg->executeAsChildAlg();
+
+ API::MatrixWorkspace_sptr outws = alg->getProperty("OutputWorkspace");
+
+ // FIXME : Need to store the original spectrum ID and reset!
+ for (size_t i = 0; i < nspec1; ++i)
+ g_log.information() << "[DBx540] Conjoined spectrum " << i << ": spectrum number = "
+ << outws->getSpectrum(i)->getSpectrumNo() << ".\n";
+
+ // Rename spectrum number
+ if (offset > 0)
+ {
+ for (size_t i = 0; i < nspec2; ++i)
+ {
+ outws->getSpectrum(nspec1+i)->setSpectrumNo(maxspecid1+static_cast<specid_t>((i+1)+offset));
+ // ISpectrum* spec = outws->getSpectrum(nspec1+i);
+ // if (spec)
+ // spec->setSpectrumNo(3);
+ }
}
+
+ return outws;
}
- if (!m_offsetsWS)
+
+ //----------------------------------------------------------------------------------------------
+ /**
+ * Loads the .cal file if necessary.
+ */
+ void AlignAndFocusPowder::loadCalFile(const std::string &calFileName)
{
- try {
- m_offsetsWS = AnalysisDataService::Instance().retrieveWS<OffsetsWorkspace>(m_instName+"_offsets");
- } catch (Exception::NotFoundError&) {
- ; // not noteworthy
+
+ // check if the workspaces exist with their canonical names so they are not reloaded for chunks
+ if (!m_groupWS)
+ {
+ try
+ {
+ m_groupWS = AnalysisDataService::Instance().retrieveWS<GroupingWorkspace>(m_instName+"_group");
+ } catch (Exception::NotFoundError&)
+ {
+ ; // not noteworthy
+ }
}
- }
- if (!m_maskWS)
- {
- try {
- m_maskWS = AnalysisDataService::Instance().retrieveWS<MatrixWorkspace>(m_instName+"_mask");
- } catch (Exception::NotFoundError&) {
- ; // not noteworthy
+ if (!m_offsetsWS)
+ {
+ try
+ {
+ m_offsetsWS = AnalysisDataService::Instance().retrieveWS<OffsetsWorkspace>(m_instName+"_offsets");
+ }
+ catch (Exception::NotFoundError&)
+ {
+ ; // not noteworthy
+ }
+ }
+ if (!m_maskWS)
+ {
+ try
+ {
+ m_maskWS = AnalysisDataService::Instance().retrieveWS<MatrixWorkspace>(m_instName+"_mask");
+ }
+ catch (Exception::NotFoundError&)
+ {
+ ; // not noteworthy
+ }
}
- }
- // see if everything exists to exit early
- if (m_groupWS && m_offsetsWS && m_maskWS)
- return;
+ // see if everything exists to exit early
+ if (m_groupWS && m_offsetsWS && m_maskWS)
+ return;
- g_log.information() << "Loading Calibration file \"" << calFileName << "\"\n";
-
- // bunch of booleans to keep track of things
- bool loadGrouping = !m_groupWS;
- bool loadOffsets = !m_offsetsWS;
- bool loadMask = !m_maskWS;
-
- // Load the .cal file
- IAlgorithm_sptr alg = createChildAlgorithm("LoadCalFile");
- alg->setPropertyValue("CalFilename", calFileName);
- alg->setProperty("InputWorkspace", m_inputW);
- alg->setProperty<std::string>("WorkspaceName", m_instName);
- alg->setProperty("MakeGroupingWorkspace", loadGrouping);
- alg->setProperty("MakeOffsetsWorkspace", loadOffsets);
- alg->setProperty("MakeMaskWorkspace", loadMask);
- alg->setLogging(true);
- alg->executeAsChildAlg();
-
- // replace workspaces as appropriate
- if (loadGrouping)
- {
- m_groupWS = alg->getProperty("OutputGroupingWorkspace");
- AnalysisDataService::Instance().addOrReplace(m_instName+"_group", m_groupWS);
- }
- if (loadOffsets)
- {
- m_offsetsWS = alg->getProperty("OutputOffsetsWorkspace");
- AnalysisDataService::Instance().addOrReplace(m_instName+"_offsets", m_offsetsWS);
- }
- if (loadMask)
- {
- m_maskWS = alg->getProperty("OutputMaskWorkspace");
- AnalysisDataService::Instance().addOrReplace(m_instName+"_mask", m_maskWS);
+ g_log.information() << "Loading Calibration file \"" << calFileName << "\"\n";
+
+ // bunch of booleans to keep track of things
+ bool loadGrouping = !m_groupWS;
+ bool loadOffsets = !m_offsetsWS;
+ bool loadMask = !m_maskWS;
+
+ // Load the .cal file
+ IAlgorithm_sptr alg = createChildAlgorithm("LoadCalFile");
+ alg->setPropertyValue("CalFilename", calFileName);
+ alg->setProperty("InputWorkspace", m_inputW);
+ alg->setProperty<std::string>("WorkspaceName", m_instName);
+ alg->setProperty("MakeGroupingWorkspace", loadGrouping);
+ alg->setProperty("MakeOffsetsWorkspace", loadOffsets);
+ alg->setProperty("MakeMaskWorkspace", loadMask);
+ alg->setLogging(true);
+ alg->executeAsChildAlg();
+
+ // replace workspaces as appropriate
+ if (loadGrouping)
+ {
+ m_groupWS = alg->getProperty("OutputGroupingWorkspace");
+ AnalysisDataService::Instance().addOrReplace(m_instName+"_group", m_groupWS);
+ }
+ if (loadOffsets)
+ {
+ m_offsetsWS = alg->getProperty("OutputOffsetsWorkspace");
+ AnalysisDataService::Instance().addOrReplace(m_instName+"_offsets", m_offsetsWS);
+ }
+ if (loadMask)
+ {
+ m_maskWS = alg->getProperty("OutputMaskWorkspace");
+ AnalysisDataService::Instance().addOrReplace(m_instName+"_mask", m_maskWS);
+ }
+
+ return;
}
-}
+ //----------------------------------------------------------------------------------------------
/** Perform SortEvents on the output workspaces
- * but only if they are EventWorkspaces.
+ * but only if they are EventWorkspaces.
*
* @param ws :: any Workspace. Does nothing if not EventWorkspace.
*/
--
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