From d4ae09825cdd8942f0255818269d08eb88fa90bf Mon Sep 17 00:00:00 2001
From: Dennis Mikkelson <mikkelsond@uwstout.edu>
Date: Mon, 13 Feb 2012 10:56:42 -0600
Subject: [PATCH] Added test for SelectCellOfType algorithm
Also added number indexed and average error output
properties fof SelectCellOfType algorithm.
refs #3666
---
Code/Mantid/Framework/Crystal/CMakeLists.txt | 1 +
.../Crystal/src/SelectCellOfType.cpp | 9 ++
.../Crystal/test/SelectCellOfTypeTest.h | 91 +++++++++++++++++++
3 files changed, 101 insertions(+)
create mode 100644 Code/Mantid/Framework/Crystal/test/SelectCellOfTypeTest.h
diff --git a/Code/Mantid/Framework/Crystal/CMakeLists.txt b/Code/Mantid/Framework/Crystal/CMakeLists.txt
index 3b55a6feb91..3468091b599 100644
--- a/Code/Mantid/Framework/Crystal/CMakeLists.txt
+++ b/Code/Mantid/Framework/Crystal/CMakeLists.txt
@@ -77,6 +77,7 @@ set ( TEST_FILES
test/FindUBUsingMinMaxDTest.h
test/IndexPeaksTest.h
test/ShowPossibleCellsTest.h
+ test/SelectCellOfTypeTest.h
test/IndexSXPeaksTest.h
test/IntegratePeakTimeSlicesTest.h
test/LoadIsawPeaksTest.h
diff --git a/Code/Mantid/Framework/Crystal/src/SelectCellOfType.cpp b/Code/Mantid/Framework/Crystal/src/SelectCellOfType.cpp
index d46bcc2c012..63feb0efa7b 100644
--- a/Code/Mantid/Framework/Crystal/src/SelectCellOfType.cpp
+++ b/Code/Mantid/Framework/Crystal/src/SelectCellOfType.cpp
@@ -110,6 +110,12 @@ namespace Crystal
this->declareProperty( "Apply", false, "Update UB and re-index the peaks");
this->declareProperty( "Tolerance", 0.12, "Indexing Tolerance");
+
+ this->declareProperty(new PropertyWithValue<int>( "NumIndexed", 0,
+ Direction::Output), "The number of indexed peaks if apply==true.");
+
+ this->declareProperty(new PropertyWithValue<double>( "AverageError", 0.0,
+ Direction::Output), "The average HKL indexing error if apply==true.");
}
//--------------------------------------------------------------------------
@@ -203,6 +209,9 @@ namespace Crystal
for ( size_t i = 0; i < n_peaks; i++ )
peaks[i].setHKL( miller_indices[i] );
+
+ this->setProperty("NumIndexed", num_indexed);
+ this->setProperty("AverageError", average_error);
}
}
diff --git a/Code/Mantid/Framework/Crystal/test/SelectCellOfTypeTest.h b/Code/Mantid/Framework/Crystal/test/SelectCellOfTypeTest.h
new file mode 100644
index 00000000000..e4c8c65ba9d
--- /dev/null
+++ b/Code/Mantid/Framework/Crystal/test/SelectCellOfTypeTest.h
@@ -0,0 +1,91 @@
+#ifndef MANTID_CRYSTAL_SELECT_CELL_OF_TYPE_TEST_H_
+#define MANTID_CRYSTAL_SELECT_CELL_OF_TYPE_TEST_H_
+
+#include <cxxtest/TestSuite.h>
+#include "MantidKernel/Timer.h"
+#include "MantidKernel/System.h"
+#include <iostream>
+#include <iomanip>
+
+#include "MantidCrystal/SelectCellOfType.h"
+#include "MantidCrystal/LoadIsawPeaks.h"
+#include "MantidGeometry/Crystal/IndexingUtils.h"
+#include "MantidGeometry/Crystal/OrientedLattice.h"
+#include "MantidCrystal/LoadIsawUB.h"
+
+using namespace Mantid;
+using namespace Mantid::Crystal;
+using namespace Mantid::API;
+using namespace Mantid::DataObjects;
+using namespace Mantid::Kernel;
+using namespace Mantid::Geometry;
+
+class SelectCellOfTypeTest : public CxxTest::TestSuite
+{
+public:
+
+ void test_Init()
+ {
+ SelectCellOfType alg;
+ TS_ASSERT_THROWS_NOTHING( alg.initialize() )
+ TS_ASSERT( alg.isInitialized() )
+ }
+
+ void test_exec()
+ {
+ // Name of the loader's output workspace.
+ std::string WSName("peaks");
+ LoadIsawPeaks loader;
+ TS_ASSERT_THROWS_NOTHING( loader.initialize() );
+ TS_ASSERT( loader.isInitialized() );
+ loader.setPropertyValue("Filename", "TOPAZ_3007.peaks");
+ loader.setPropertyValue("OutputWorkspace", WSName);
+
+ TS_ASSERT( loader.execute() );
+ TS_ASSERT( loader.isExecuted() );
+ PeaksWorkspace_sptr ws;
+ TS_ASSERT_THROWS_NOTHING( ws = boost::dynamic_pointer_cast<PeaksWorkspace>(
+ AnalysisDataService::Instance().retrieve(WSName) ) );
+ TS_ASSERT(ws);
+ // set a Niggli UB for run 3007
+ // (CuTCA) in the oriented lattice
+ V3D row_0( 0.0122354, 0.00480056, 0.0860404 );
+ V3D row_1( -0.1165450, 0.00178145, -0.0045884 );
+ V3D row_2( -0.0273738, -0.08973560, -0.0252595 );
+
+ Matrix<double> UB(3,3,false);
+ UB.setRow( 0, row_0 );
+ UB.setRow( 1, row_1 );
+ UB.setRow( 2, row_2 );
+
+ OrientedLattice o_lattice;
+ o_lattice.setUB( UB );
+ ws->mutableSample().setOrientedLattice( new OrientedLattice(o_lattice) );
+
+ // now get the UB back from the WS
+ UB = o_lattice.getUB();
+
+ SelectCellOfType alg;
+ TS_ASSERT_THROWS_NOTHING( alg.initialize() )
+ TS_ASSERT( alg.isInitialized() )
+ TS_ASSERT_THROWS_NOTHING( alg.setPropertyValue("PeaksWorkspace", WSName) );
+ TS_ASSERT_THROWS_NOTHING( alg.setPropertyValue("CellType","Monoclinic") );
+ TS_ASSERT_THROWS_NOTHING( alg.setPropertyValue("Centering","C") );
+ TS_ASSERT_THROWS_NOTHING( alg.setProperty("Apply",true) );
+ TS_ASSERT_THROWS_NOTHING( alg.setProperty("Tolerance",0.12) );
+ TS_ASSERT_THROWS_NOTHING( alg.execute(); );
+ TS_ASSERT( alg.isExecuted() );
+
+ int num_indexed = alg.getProperty("NumIndexed");
+ TS_ASSERT_EQUALS( num_indexed, 43 );
+ double average_error = alg.getProperty("AverageError");
+ TS_ASSERT_DELTA( average_error, 0.0119856, 1e-5 );
+
+ AnalysisDataService::Instance().remove(WSName);
+ }
+
+};
+
+
+#endif /* MANTID_CRYSTAL_SELECT_CELL_OF_TYPE_TEST_H_ */
+
--
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