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

@@ -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

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);
     }
   }
 

Code/Mantid/Framework/Crystal/test/SelectCellOfTypeTest.h

+#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_ */
+