diff --git a/Code/Mantid/Framework/WorkflowAlgorithms/src/AlignAndFocusPowder.cpp b/Code/Mantid/Framework/WorkflowAlgorithms/src/AlignAndFocusPowder.cpp
index cceb59e53cef795fa6a87e6c437e43cbef6ae5a6..8fc8ae407b4f595a49734e4970c1ace32ba28f32 100644
--- a/Code/Mantid/Framework/WorkflowAlgorithms/src/AlignAndFocusPowder.cpp
+++ b/Code/Mantid/Framework/WorkflowAlgorithms/src/AlignAndFocusPowder.cpp
@@ -11,6 +11,8 @@
#include "MantidDataObjects/MaskWorkspace.h"
#include "MantidDataObjects/OffsetsWorkspace.h"
#include "MantidDataObjects/Workspace2D.h"
+#include "MantidKernel/ArrayProperty.h"
+#include "MantidKernel/RebinParamsValidator.h"
#include "MantidKernel/System.h"
using Mantid::Geometry::Instrument_const_sptr;
@@ -59,7 +61,10 @@ void AlignAndFocusPowder::init()
"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("Params","-0.004","The binning parameters: Positive is linear bins, negative is logarithmic (Default:-0.004)");
+ 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("Dspacing", true,"Bin in Dspace. (Default true)");
declareProperty("CropMin", 0.0, "Minimum for Cropping TOF or dspace axis. (Default 0.) ");
declareProperty("CropMax", 0.0, "Maximum for Croping TOF or dspace axis. (Default 0.) ");
@@ -96,7 +101,7 @@ void AlignAndFocusPowder::exec()
// retrieve the properties
m_inputW = getProperty("InputWorkspace");
m_eventW = boost::dynamic_pointer_cast<EventWorkspace>( m_inputW );
- if (m_eventW != NULL)
+ if ((m_eventW != NULL))
{
if (getProperty("PreserveEvents"))
{
@@ -110,7 +115,7 @@ void AlignAndFocusPowder::exec()
OffsetsWorkspace_sptr offsetsWS = getProperty("OffsetsWorkspace");
MatrixWorkspace_sptr maskWS = getProperty("MaskWorkspace");
GroupingWorkspace_sptr groupWS = getProperty("GroupingWorkspace");
- std::string params = getProperty("Params");
+ std::vector<double> params=getProperty("Params");
bool dspace = getProperty("DSpacing");
double xmin = getProperty("CropMin");
double xmax = getProperty("CropMax");
@@ -120,7 +125,6 @@ void AlignAndFocusPowder::exec()
double tmin = getProperty("TMin");
double tmax = getProperty("TMax");
-
// Get the input workspace
if ((!offsetsWS || !maskWS || !groupWS) && !calFileName.empty())
{
@@ -137,19 +141,25 @@ void AlignAndFocusPowder::exec()
AnalysisDataService::Instance().addOrReplace(instName+"_offsets", offsetsWS);
AnalysisDataService::Instance().addOrReplace(instName+"_mask", maskWS);
}
+ // Now create the output workspace
+ m_outputW = getProperty("OutputWorkspace");
+ if ( m_outputW != m_inputW )
+ {
+ m_outputW = WorkspaceFactory::Instance().create(m_inputW);
+ }
if (xmin > 0. || xmax > 0.)
{
API::IAlgorithm_sptr cropAlg = createSubAlgorithm("CropWorkspace");
- cropAlg->setProperty("InputWorkspace", m_inputW);
+ cropAlg->setProperty("InputWorkspace", m_outputW);
if (xmin > 0.)cropAlg->setProperty("Xmin", xmin);
if (xmax > 0.)cropAlg->setProperty("Xmax", xmax);
cropAlg->executeAsSubAlg();
- m_inputW = cropAlg->getProperty("OutputWorkspace");
+ m_outputW = cropAlg->getProperty("OutputWorkspace");
}
API::IAlgorithm_sptr maskAlg = createSubAlgorithm("MaskDetectors");
- maskAlg->setProperty("Workspace", m_inputW);
+ maskAlg->setProperty("Workspace", m_outputW);
maskAlg->setProperty("MaskedWorkspace", instName+"_mask");
maskAlg->executeAsSubAlg();
m_outputW = maskAlg->getProperty("Workspace");
@@ -161,7 +171,6 @@ void AlignAndFocusPowder::exec()
rebinAlg->setProperty("Params",params);
rebinAlg->executeAsSubAlg();
m_outputW = rebinAlg->getProperty("OutputWorkspace");
- setProperty("OutputWorkspace",m_outputW);
}
API::IAlgorithm_sptr alignAlg = createSubAlgorithm("AlignDetectors");
@@ -172,23 +181,22 @@ void AlignAndFocusPowder::exec()
if(LRef > 0. || minwl > 0. || DIFCref > 0.)
{
- API::IAlgorithm_sptr convertAlg = createSubAlgorithm("ConvertUnits");
- convertAlg->setProperty("InputWorkspace", m_outputW);
- convertAlg->setProperty("Target","TOF");
- convertAlg->executeAsSubAlg();
- m_outputW = convertAlg->getProperty("OutputWorkspace");
+ API::IAlgorithm_sptr convertAlg = createSubAlgorithm("ConvertUnits");
+ convertAlg->setProperty("InputWorkspace", m_outputW);
+ convertAlg->setProperty("Target","TOF");
+ convertAlg->executeAsSubAlg();
+ m_outputW = convertAlg->getProperty("OutputWorkspace");
}
if(LRef > 0.)
{
- API::IAlgorithm_sptr removeAlg = createSubAlgorithm("RemoveLowResTOF");
+ API::IAlgorithm_sptr removeAlg = createSubAlgorithm("UnwrapSNS");
removeAlg->setProperty("InputWorkspace", m_outputW);
removeAlg->setProperty("LRef",LRef);
removeAlg->setProperty("Tmin",tmin);
removeAlg->setProperty("Tmax",tmax);
removeAlg->executeAsSubAlg();
m_outputW = removeAlg->getProperty("OutputWorkspace");
- setProperty("OutputWorkspace",m_outputW);
}
if(minwl > 0.)
@@ -199,7 +207,6 @@ void AlignAndFocusPowder::exec()
removeAlg->setProperty("Tmin",tmin);
removeAlg->executeAsSubAlg();
m_outputW = removeAlg->getProperty("OutputWorkspace");
- setProperty("OutputWorkspace",m_outputW);
}
else if(DIFCref > 0.)
{
@@ -210,16 +217,15 @@ void AlignAndFocusPowder::exec()
removeAlg->setProperty("Tmin",tmin);
removeAlg->executeAsSubAlg();
m_outputW = removeAlg->getProperty("OutputWorkspace");
- setProperty("OutputWorkspace",m_outputW);
}
if(LRef > 0. || minwl > 0. || DIFCref > 0.)
{
- API::IAlgorithm_sptr convertAlg = createSubAlgorithm("ConvertUnits");
- convertAlg->setProperty("InputWorkspace", m_outputW);
- convertAlg->setProperty("Target","dSpacing");
- convertAlg->executeAsSubAlg();
- m_outputW = convertAlg->getProperty("OutputWorkspace");
+ API::IAlgorithm_sptr convertAlg = createSubAlgorithm("ConvertUnits");
+ convertAlg->setProperty("InputWorkspace", m_outputW);
+ convertAlg->setProperty("Target","dSpacing");
+ convertAlg->executeAsSubAlg();
+ m_outputW = convertAlg->getProperty("OutputWorkspace");
}
if(dspace)
@@ -229,7 +235,6 @@ void AlignAndFocusPowder::exec()
rebinAlg->setProperty("Params",params);
rebinAlg->executeAsSubAlg();
m_outputW = rebinAlg->getProperty("OutputWorkspace");
- setProperty("OutputWorkspace",m_outputW);
}
API::IAlgorithm_sptr focusAlg = createSubAlgorithm("DiffractionFocussing");
@@ -245,6 +250,8 @@ void AlignAndFocusPowder::exec()
convertAlg->executeAsSubAlg();
m_outputW = convertAlg->getProperty("OutputWorkspace");
+ params.erase(params.begin());
+ params.pop_back();
API::IAlgorithm_sptr rebinAlg = createSubAlgorithm("Rebin");
rebinAlg->setProperty("InputWorkspace", m_outputW);
rebinAlg->setProperty("Params",params);
@@ -267,7 +274,7 @@ void AlignAndFocusPowder::execEvent()
OffsetsWorkspace_sptr offsetsWS = getProperty("OffsetsWorkspace");
MatrixWorkspace_sptr maskWS = getProperty("MaskWorkspace");
GroupingWorkspace_sptr groupWS = getProperty("GroupingWorkspace");
- std::string params = getProperty("Params");
+ std::vector<double> params=getProperty("Params");
bool dspace = getProperty("DSpacing");
double xmin = getProperty("CropMin");
double xmax = getProperty("CropMax");
@@ -299,47 +306,67 @@ void AlignAndFocusPowder::execEvent()
AnalysisDataService::Instance().addOrReplace(instName+"_offsets", offsetsWS);
AnalysisDataService::Instance().addOrReplace(instName+"_mask", maskWS);
}
+ Progress progress(this,0.0,1.0,m_eventW->getNumberHistograms());
+
+ // generate the output workspace pointer
+ m_outputW = this->getProperty("OutputWorkspace");
+ EventWorkspace_sptr m_outputEventW;
+ if (m_outputW == m_inputW)
+ m_outputEventW = boost::dynamic_pointer_cast<EventWorkspace>(m_outputW);
+ else
+ {
+ //Make a brand new EventWorkspace
+ m_outputEventW = boost::dynamic_pointer_cast<EventWorkspace>(
+ WorkspaceFactory::Instance().create("EventWorkspace", m_eventW->getNumberHistograms(), 2, 1));
+ //Copy geometry over.
+ WorkspaceFactory::Instance().initializeFromParent(m_eventW, m_outputEventW, false);
+ //You need to copy over the data as well.
+ m_outputEventW->copyDataFrom( (*m_eventW) );
+
+ //Cast to the matrixOutputWS and save it
+ m_outputW = boost::dynamic_pointer_cast<MatrixWorkspace>(m_outputEventW);
+ }
if (filterBadPulses)
{
API::IAlgorithm_sptr filterAlg = createSubAlgorithm("FilterBadPulses");
- filterAlg->setProperty("InputWorkspace", m_eventW);
+ filterAlg->setProperty("InputWorkspace", m_outputEventW);
filterAlg->executeAsSubAlg();
- m_eventW = filterAlg->getProperty("OutputWorkspace");
+ m_outputEventW = filterAlg->getProperty("OutputWorkspace");
}
if (removePromptPulseWidth > 0.)
{
API::IAlgorithm_sptr filterAlg = createSubAlgorithm("RemovePromptPulse");
- filterAlg->setProperty("InputWorkspace", m_eventW);
+ filterAlg->setProperty("InputWorkspace", m_outputEventW);
filterAlg->setProperty("Width", removePromptPulseWidth);
filterAlg->executeAsSubAlg();
- m_eventW = filterAlg->getProperty("OutputWorkspace");
+ m_outputEventW = filterAlg->getProperty("OutputWorkspace");
}
if (!filterName.empty())
{
API::IAlgorithm_sptr filterLogsAlg = createSubAlgorithm("FilterByLogValue");
- filterLogsAlg->setProperty("InputWorkspace", m_eventW);
+ filterLogsAlg->setProperty("InputWorkspace", m_outputEventW);
filterLogsAlg->setProperty("LogName", filterName);
filterLogsAlg->setProperty("MinimumValue", filterMin);
filterLogsAlg->setProperty("MaximumValue", filterMax);
filterLogsAlg->executeAsSubAlg();
- m_eventW = filterLogsAlg->getProperty("OutputWorkspace");
+ m_outputEventW = filterLogsAlg->getProperty("OutputWorkspace");
}
API::IAlgorithm_sptr compressAlg = createSubAlgorithm("CompressEvents");
- compressAlg->setProperty("InputWorkspace", m_eventW);
+ compressAlg->setProperty("InputWorkspace", m_outputEventW);
compressAlg->setProperty("Tolerance",tolerance);
compressAlg->executeAsSubAlg();
- m_eventW = compressAlg->getProperty("OutputWorkspace");
+ m_outputEventW = compressAlg->getProperty("OutputWorkspace");
- m_eventW->sortAll(TOF_SORT, NULL);
+ m_outputEventW->sortAll(TOF_SORT, NULL);
if (xmin > 0. || xmax > 0.)
{
API::IAlgorithm_sptr cropAlg = createSubAlgorithm("CropWorkspace");
- cropAlg->setProperty("InputWorkspace", m_inputW);
+ cropAlg->setProperty("InputWorkspace", m_outputW);
if (xmin > 0.)cropAlg->setProperty("Xmin", xmin);
if (xmax > 0.)cropAlg->setProperty("Xmax", xmax);
cropAlg->executeAsSubAlg();
@@ -347,7 +374,7 @@ void AlignAndFocusPowder::execEvent()
}
API::IAlgorithm_sptr maskAlg = createSubAlgorithm("MaskDetectors");
- maskAlg->setProperty("Workspace", m_inputW);
+ maskAlg->setProperty("Workspace", m_outputW);
maskAlg->setProperty("MaskedWorkspace", instName+"_mask");
maskAlg->executeAsSubAlg();
m_outputW = maskAlg->getProperty("Workspace");
@@ -359,7 +386,6 @@ void AlignAndFocusPowder::execEvent()
rebinAlg->setProperty("Params",params);
rebinAlg->executeAsSubAlg();
m_outputW = rebinAlg->getProperty("OutputWorkspace");
- setProperty("OutputWorkspace",m_outputW);
}
API::IAlgorithm_sptr alignAlg = createSubAlgorithm("AlignDetectors");
@@ -370,23 +396,22 @@ void AlignAndFocusPowder::execEvent()
if(LRef > 0. || minwl > 0. || DIFCref > 0.)
{
- API::IAlgorithm_sptr convertAlg = createSubAlgorithm("ConvertUnits");
- convertAlg->setProperty("InputWorkspace", m_outputW);
- convertAlg->setProperty("Target","TOF");
- convertAlg->executeAsSubAlg();
- m_outputW = convertAlg->getProperty("OutputWorkspace");
+ API::IAlgorithm_sptr convertAlg = createSubAlgorithm("ConvertUnits");
+ convertAlg->setProperty("InputWorkspace", m_outputW);
+ convertAlg->setProperty("Target","TOF");
+ convertAlg->executeAsSubAlg();
+ m_outputW = convertAlg->getProperty("OutputWorkspace");
}
if(LRef > 0.)
{
- API::IAlgorithm_sptr removeAlg = createSubAlgorithm("RemoveLowResTOF");
+ API::IAlgorithm_sptr removeAlg = createSubAlgorithm("UnwrapSNS");
removeAlg->setProperty("InputWorkspace", m_outputW);
removeAlg->setProperty("LRef",LRef);
removeAlg->setProperty("Tmin",tmin);
removeAlg->setProperty("Tmax",tmax);
removeAlg->executeAsSubAlg();
m_outputW = removeAlg->getProperty("OutputWorkspace");
- setProperty("OutputWorkspace",m_outputW);
}
if(minwl > 0.)
@@ -397,7 +422,6 @@ void AlignAndFocusPowder::execEvent()
removeAlg->setProperty("Tmin",tmin);
removeAlg->executeAsSubAlg();
m_outputW = removeAlg->getProperty("OutputWorkspace");
- setProperty("OutputWorkspace",m_outputW);
}
else if(DIFCref > 0.)
{
@@ -408,16 +432,15 @@ void AlignAndFocusPowder::execEvent()
removeAlg->setProperty("Tmin",tmin);
removeAlg->executeAsSubAlg();
m_outputW = removeAlg->getProperty("OutputWorkspace");
- setProperty("OutputWorkspace",m_outputW);
}
if(LRef > 0. || minwl > 0. || DIFCref > 0.)
{
- API::IAlgorithm_sptr convertAlg = createSubAlgorithm("ConvertUnits");
- convertAlg->setProperty("InputWorkspace", m_outputW);
- convertAlg->setProperty("Target","dSpacing");
- convertAlg->executeAsSubAlg();
- m_outputW = convertAlg->getProperty("OutputWorkspace");
+ API::IAlgorithm_sptr convertAlg = createSubAlgorithm("ConvertUnits");
+ convertAlg->setProperty("InputWorkspace", m_outputW);
+ convertAlg->setProperty("Target","dSpacing");
+ convertAlg->executeAsSubAlg();
+ m_outputW = convertAlg->getProperty("OutputWorkspace");
}
if(dspace)
@@ -427,10 +450,9 @@ void AlignAndFocusPowder::execEvent()
rebinAlg->setProperty("Params",params);
rebinAlg->executeAsSubAlg();
m_outputW = rebinAlg->getProperty("OutputWorkspace");
- setProperty("OutputWorkspace",m_outputW);
}
- m_eventW->sortAll(TOF_SORT, NULL);
+ m_outputEventW->sortAll(TOF_SORT, NULL);
API::IAlgorithm_sptr focusAlg = createSubAlgorithm("DiffractionFocussing");
focusAlg->setProperty("InputWorkspace", m_outputW);
@@ -439,7 +461,7 @@ void AlignAndFocusPowder::execEvent()
focusAlg->executeAsSubAlg();
m_outputW = focusAlg->getProperty("OutputWorkspace");
- m_eventW->sortAll(TOF_SORT, NULL);
+ m_outputEventW->sortAll(TOF_SORT, NULL);
API::IAlgorithm_sptr convertAlg = createSubAlgorithm("ConvertUnits");
convertAlg->setProperty("InputWorkspace", m_outputW);
@@ -447,6 +469,8 @@ void AlignAndFocusPowder::execEvent()
convertAlg->executeAsSubAlg();
m_outputW = convertAlg->getProperty("OutputWorkspace");
+ params.erase(params.begin());
+ params.pop_back();
API::IAlgorithm_sptr rebinAlg = createSubAlgorithm("Rebin");
rebinAlg->setProperty("InputWorkspace", m_outputW);
rebinAlg->setProperty("Params",params);