From 25d01d44ed6e395e9e16c20c0f3d824770034bf1 Mon Sep 17 00:00:00 2001
From: Russell Taylor <taylorrj@ornl.gov>
Date: Thu, 26 Jul 2012 17:47:05 -0400
Subject: [PATCH] Re #5572. Very quick first implementation of FilterPeaks.
---
Code/Mantid/Framework/Crystal/CMakeLists.txt | 3 +
.../Crystal/inc/MantidCrystal/FilterPeaks.h | 56 +++++++
.../Framework/Crystal/src/FilterPeaks.cpp | 145 ++++++++++++++++++
.../Framework/Crystal/test/FilterPeaksTest.h | 63 ++++++++
4 files changed, 267 insertions(+)
create mode 100644 Code/Mantid/Framework/Crystal/inc/MantidCrystal/FilterPeaks.h
create mode 100644 Code/Mantid/Framework/Crystal/src/FilterPeaks.cpp
create mode 100644 Code/Mantid/Framework/Crystal/test/FilterPeaksTest.h
diff --git a/Code/Mantid/Framework/Crystal/CMakeLists.txt b/Code/Mantid/Framework/Crystal/CMakeLists.txt
index b0c9781ca49..0d43c9c3f8b 100644
--- a/Code/Mantid/Framework/Crystal/CMakeLists.txt
+++ b/Code/Mantid/Framework/Crystal/CMakeLists.txt
@@ -5,6 +5,7 @@ set ( SRC_FILES
src/CentroidPeaks.cpp
src/CombinePeaksWorkspaces.cpp
src/DiffPeaksWorkspaces.cpp
+ src/FilterPeaks.cpp
src/FindSXPeaks.cpp
src/FindUBUsingFFT.cpp
src/FindUBUsingIndexedPeaks.cpp
@@ -45,6 +46,7 @@ set ( INC_FILES
inc/MantidCrystal/CentroidPeaks.h
inc/MantidCrystal/CombinePeaksWorkspaces.h
inc/MantidCrystal/DiffPeaksWorkspaces.h
+ inc/MantidCrystal/FilterPeaks.h
inc/MantidCrystal/FindSXPeaks.h
inc/MantidCrystal/FindUBUsingFFT.h
inc/MantidCrystal/FindUBUsingIndexedPeaks.h
@@ -85,6 +87,7 @@ set ( TEST_FILES
test/CentroidPeaksTest.h
test/CombinePeaksWorkspacesTest.h
test/DiffPeaksWorkspacesTest.h
+ test/FilterPeaksTest.h
test/FindSXPeaksTest.h
test/FindUBUsingFFTTest.h
test/FindUBUsingIndexedPeaksTest.h
diff --git a/Code/Mantid/Framework/Crystal/inc/MantidCrystal/FilterPeaks.h b/Code/Mantid/Framework/Crystal/inc/MantidCrystal/FilterPeaks.h
new file mode 100644
index 00000000000..7f2c520a00b
--- /dev/null
+++ b/Code/Mantid/Framework/Crystal/inc/MantidCrystal/FilterPeaks.h
@@ -0,0 +1,56 @@
+#ifndef MANTID_CRYSTAL_FILTERPEAKS_H_
+#define MANTID_CRYSTAL_FILTERPEAKS_H_
+
+#include "MantidKernel/System.h"
+#include "MantidAPI/Algorithm.h"
+
+namespace Mantid
+{
+namespace Crystal
+{
+
+ /** FilterPeaks : TODO: DESCRIPTION
+
+ Copyright © 2012 ISIS Rutherford Appleton Laboratory & NScD Oak Ridge National Laboratory
+
+ This file is part of Mantid.
+
+ Mantid is free software; you can redistribute it and/or modify
+ it under the terms of the GNU General Public License as published by
+ the Free Software Foundation; either version 3 of the License, or
+ (at your option) any later version.
+
+ Mantid is distributed in the hope that it will be useful,
+ but WITHOUT ANY WARRANTY; without even the implied warranty of
+ MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the
+ GNU General Public License for more details.
+
+ You should have received a copy of the GNU General Public License
+ along with this program. If not, see <http://www.gnu.org/licenses/>.
+
+ File change history is stored at: <https://svn.mantidproject.org/mantid/trunk/Code/Mantid>
+ Code Documentation is available at: <http://doxygen.mantidproject.org>
+ */
+ class DLLExport FilterPeaks : public API::Algorithm
+ {
+ public:
+ FilterPeaks();
+ virtual ~FilterPeaks();
+
+ virtual const std::string name() const;
+ virtual int version() const;
+ virtual const std::string category() const;
+
+ private:
+ virtual void initDocs();
+ void init();
+ void exec();
+
+
+ };
+
+
+} // namespace Crystal
+} // namespace Mantid
+
+#endif /* MANTID_CRYSTAL_FILTERPEAKS_H_ */
\ No newline at end of file
diff --git a/Code/Mantid/Framework/Crystal/src/FilterPeaks.cpp b/Code/Mantid/Framework/Crystal/src/FilterPeaks.cpp
new file mode 100644
index 00000000000..dd6b94f0c24
--- /dev/null
+++ b/Code/Mantid/Framework/Crystal/src/FilterPeaks.cpp
@@ -0,0 +1,145 @@
+/*WIKI*
+TODO: Enter a full wiki-markup description of your algorithm here. You can then use the Build/wiki_maker.py script to generate your full wiki page.
+*WIKI*/
+
+#include "MantidCrystal/FilterPeaks.h"
+#include "MantidKernel/ListValidator.h"
+#include "MantidKernel/MandatoryValidator.h"
+#include "MantidDataObjects/PeaksWorkspace.h"
+
+namespace {
+ double HKL(const Mantid::DataObjects::Peak & p)
+ {
+ return p.getH() + p.getK() + p.getL();
+ }
+
+ double HKL2(const Mantid::DataObjects::Peak & p)
+ {
+ return p.getH()*p.getH() + p.getK()*p.getK() + p.getL()*p.getL();
+ }
+
+ double intensity(const Mantid::DataObjects::Peak & p)
+ {
+ return p.getIntensity();
+ }
+
+ double SN(const Mantid::DataObjects::Peak & p)
+ {
+ return p.getIntensity()/p.getSigmaIntensity();
+ }
+}
+
+namespace Mantid
+{
+namespace Crystal
+{
+ // Register the algorithm into the AlgorithmFactory
+ DECLARE_ALGORITHM(FilterPeaks)
+
+ using namespace Kernel;
+ using namespace API;
+ using DataObjects::PeaksWorkspace;
+ using DataObjects::PeaksWorkspace_const_sptr;
+ using DataObjects::PeaksWorkspace_sptr;
+ using DataObjects::Peak;
+
+ /** Constructor
+ */
+ FilterPeaks::FilterPeaks()
+ {
+ }
+
+ /** Destructor
+ */
+ FilterPeaks::~FilterPeaks()
+ {
+ }
+
+ /// Algorithm's name for identification. @see Algorithm::name
+ const std::string FilterPeaks::name() const { return "FilterPeaks";};
+ /// Algorithm's version for identification. @see Algorithm::version
+ int FilterPeaks::version() const { return 1;};
+ /// Algorithm's category for identification. @see Algorithm::category
+ const std::string FilterPeaks::category() const { return "Crystal";}
+
+ /// Sets documentation strings for this algorithm
+ void FilterPeaks::initDocs()
+ {
+ this->setWikiSummary("Filters the peaks in a peaks workspace based upon a chosen ");
+ this->setOptionalMessage("TODO: Enter a quick description of your algorithm.");
+ }
+
+ /** Initialize the algorithm's properties.
+ */
+ void FilterPeaks::init()
+ {
+ declareProperty(new WorkspaceProperty<PeaksWorkspace>("InputWorkspace","",Direction::Input), "The input workspace");
+ declareProperty(new WorkspaceProperty<IPeaksWorkspace>("OutputWorkspace","",Direction::Output), "The filtered workspace");
+
+ std::vector<std::string> filters;
+ filters.push_back("H+K+L");
+ filters.push_back("H2+K2+L2");
+ filters.push_back("Intensity");
+ filters.push_back("Signal/Noise");
+ declareProperty("FilterVariable","",boost::make_shared<StringListValidator>(filters),"The variable on which to filter the peaks");
+
+ declareProperty("FilterValue", EMPTY_DBL(), boost::make_shared<MandatoryValidator<double>>(),
+ "The value of the FilterVariable to compare each peak to");
+
+ std::vector<std::string> operation;
+ operation.push_back("<");
+ operation.push_back(">");
+ operation.push_back("=");
+ operation.push_back("<=");
+ operation.push_back(">=");
+ declareProperty("Operator","<",boost::make_shared<StringListValidator>(operation),"");
+ }
+
+ /** Execute the algorithm.
+ */
+ void FilterPeaks::exec()
+ {
+ PeaksWorkspace_const_sptr inputWS = getProperty("InputWorkspace");
+
+ IPeaksWorkspace_sptr filteredWS = WorkspaceFactory::Instance().createPeaks();
+ // Copy over ExperimentInfo from input workspace
+ filteredWS->copyExperimentInfoFrom(inputWS.get());
+
+ // TODO: Refactor to avoid all the else-ifs and multiple edits required on adding new variables
+
+ const std::string FilterVariable = getProperty("FilterVariable");
+ double (*variable)(const Mantid::DataObjects::Peak &);
+ if ( FilterVariable == "H+K+L" )
+ variable = &HKL;
+ else if ( FilterVariable == "H2+K2+L2" )
+ variable = &HKL2;
+ else if ( FilterVariable == "Intensity" )
+ variable = &intensity;
+ else if ( FilterVariable == "Signal/Noise" )
+ variable = &SN;
+
+ const double FilterValue = getProperty("FilterValue");
+ const std::string Operator = getProperty("Operator");
+
+ for ( int i = 0; i < inputWS->getNumberPeaks(); ++i )
+ {
+ bool pass;
+ const Peak& currentPeak = inputWS->getPeak(i);
+ const double currentValue = variable(currentPeak);
+
+ if ( Operator == "<" ) pass = (currentValue < FilterValue);
+ else if ( Operator == ">" ) pass = (currentValue > FilterValue);
+ else if ( Operator == "=" ) pass = (currentValue == FilterValue);
+ else if ( Operator == "<=" ) pass = (currentValue <= FilterValue);
+ else if ( Operator == ">=" ) pass = (currentValue >= FilterValue);
+
+ if ( pass ) filteredWS->addPeak(currentPeak);
+ }
+
+ setProperty("OutputWorkspace", filteredWS);
+ }
+
+
+
+} // namespace Crystal
+} // namespace Mantid
diff --git a/Code/Mantid/Framework/Crystal/test/FilterPeaksTest.h b/Code/Mantid/Framework/Crystal/test/FilterPeaksTest.h
new file mode 100644
index 00000000000..9f18a104194
--- /dev/null
+++ b/Code/Mantid/Framework/Crystal/test/FilterPeaksTest.h
@@ -0,0 +1,63 @@
+#ifndef MANTID_CRYSTAL_FILTERPEAKSTEST_H_
+#define MANTID_CRYSTAL_FILTERPEAKSTEST_H_
+
+#include <cxxtest/TestSuite.h>
+
+#include "MantidTestHelpers/WorkspaceCreationHelper.h"
+#include "MantidCrystal/FilterPeaks.h"
+#include "MantidDataObjects/PeaksWorkspace.h"
+
+using Mantid::Crystal::FilterPeaks;
+
+class FilterPeaksTest : public CxxTest::TestSuite
+{
+public:
+ // This pair of boilerplate methods prevent the suite being created statically
+ // This means the constructor isn't called when running other tests
+ static FilterPeaksTest *createSuite() { return new FilterPeaksTest(); }
+ static void destroySuite( FilterPeaksTest *suite ) { delete suite; }
+
+ void test_Init()
+ {
+ FilterPeaks alg;
+ TS_ASSERT_THROWS_NOTHING( alg.initialize() )
+ TS_ASSERT( alg.isInitialized() )
+ }
+
+ void test_exec()
+ {
+ using namespace Mantid::API;
+ using namespace Mantid::DataObjects;
+
+ PeaksWorkspace_sptr inputWS = WorkspaceCreationHelper::createPeaksWorkspace();
+
+ // Name of the output workspace.
+ std::string outWSName("FilterPeaksTest_OutputWS");
+
+ FilterPeaks alg;
+ TS_ASSERT_THROWS_NOTHING( alg.initialize() )
+ TS_ASSERT( alg.isInitialized() )
+ TS_ASSERT_THROWS_NOTHING( alg.setProperty("InputWorkspace", inputWS) )
+ TS_ASSERT_THROWS_NOTHING( alg.setPropertyValue("OutputWorkspace", outWSName) )
+ TS_ASSERT_THROWS_NOTHING( alg.setPropertyValue("FilterVariable", "H+K+L") )
+ TS_ASSERT_THROWS_NOTHING( alg.setProperty("FilterValue", 0.0) )
+ TS_ASSERT_THROWS_NOTHING( alg.setPropertyValue("Operator", ">") )
+ TS_ASSERT( alg.execute() )
+
+ // Retrieve the workspace from data service.
+ IPeaksWorkspace_const_sptr ws;
+ TS_ASSERT_THROWS_NOTHING( ws = AnalysisDataService::Instance().retrieveWS<IPeaksWorkspace>(outWSName) );
+ TS_ASSERT(ws);
+ if (!ws) return;
+
+ // Will be empty as indices not set
+ TS_ASSERT_EQUALS( ws->getNumberPeaks(), 0 )
+
+ // Remove workspace from the data service.
+ AnalysisDataService::Instance().remove(outWSName);
+ }
+
+};
+
+
+#endif /* MANTID_CRYSTAL_FILTERPEAKSTEST_H_ */
--
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