From 026a7c9f4f5a92c69238b502de3154b071cebfc1 Mon Sep 17 00:00:00 2001
From: Peter Peterson <petersonpf@ornl.gov>
Date: Tue, 15 Jan 2013 09:56:07 -0500
Subject: [PATCH] Re #6346. Adding the option to pass in multiple d-spacing
ranges.
One for each spectrum number. Also cleaned up some bits of the code
so unfocussed data doesn't get the d-ranges.
---
.../AlignAndFocusPowder.h | 2 +
.../src/AlignAndFocusPowder.cpp | 39 +++++++++++++++----
2 files changed, 34 insertions(+), 7 deletions(-)
diff --git a/Code/Mantid/Framework/WorkflowAlgorithms/inc/MantidWorkflowAlgorithms/AlignAndFocusPowder.h b/Code/Mantid/Framework/WorkflowAlgorithms/inc/MantidWorkflowAlgorithms/AlignAndFocusPowder.h
index 48cba89c960..3a52faef064 100644
--- a/Code/Mantid/Framework/WorkflowAlgorithms/inc/MantidWorkflowAlgorithms/AlignAndFocusPowder.h
+++ b/Code/Mantid/Framework/WorkflowAlgorithms/inc/MantidWorkflowAlgorithms/AlignAndFocusPowder.h
@@ -91,6 +91,8 @@ namespace Mantid
std::string m_instName;
std::vector<double> m_params;
int m_resampleX;
+ std::vector<double> m_dmins;
+ std::vector<double> m_dmaxs;
bool dspace;
double xmin;
double xmax;
diff --git a/Code/Mantid/Framework/WorkflowAlgorithms/src/AlignAndFocusPowder.cpp b/Code/Mantid/Framework/WorkflowAlgorithms/src/AlignAndFocusPowder.cpp
index ca9b34f9842..cfa26cadd48 100644
--- a/Code/Mantid/Framework/WorkflowAlgorithms/src/AlignAndFocusPowder.cpp
+++ b/Code/Mantid/Framework/WorkflowAlgorithms/src/AlignAndFocusPowder.cpp
@@ -64,7 +64,7 @@ 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(new ArrayProperty<double>("Params", boost::make_shared<RebinParamsValidator>()),
+ 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.");
@@ -72,8 +72,8 @@ void AlignAndFocusPowder::init()
"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("DMin", 0.0, "Minimum for Dspace axis. (Default 0.) ");
- declareProperty("DMax", 0.0, "Maximum for Dspace axis. (Default 0.) ");
+ declareProperty(new ArrayProperty<double>("DMin", 0.0), "Minimum for Dspace axis. (Default 0.) ");
+ declareProperty(new ArrayProperty<double>("DMax", 0.0), "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,
@@ -117,8 +117,14 @@ void AlignAndFocusPowder::exec()
phis = getProperty("Azimuthal");
m_params=getProperty("Params");
dspace = getProperty("DSpacing");
- double dmin = getProperty("DMin");
- double dmax = getProperty("DMax");
+ 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");
@@ -133,8 +139,10 @@ void AlignAndFocusPowder::exec()
}
else if (m_params.size() == 1)
{
- if (dmax > 0) dspace = true;
- else dspace=false;
+ if (dmax > 0.)
+ dspace = true;
+ else
+ dspace=false;
}
if (dspace)
{
@@ -369,6 +377,9 @@ void AlignAndFocusPowder::exec()
doSortEvents(m_outputW);
+ if (dspace)
+ this->rebin();
+
if (l1 > 0)
{
g_log.information() << "running EditInstrumentGeometry\n";
@@ -413,6 +424,20 @@ void AlignAndFocusPowder::rebin()
API::IAlgorithm_sptr alg = createChildAlgorithm("ResampleX");
alg->setProperty("InputWorkspace", m_outputW);
alg->setProperty("OutputWorkspace", m_outputW);
+ 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
+ {
+ 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();
--
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