| 1 | /*
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| 2 |  * AnalysisCorrelationToPointUnitTest.cpp
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| 3 |  *
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| 4 |  *  Created on: Oct 13, 2009
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| 5 |  *      Author: heber
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| 6 |  */
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| 7 | 
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| 8 | using namespace std;
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| 9 | 
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| 10 | #include <cppunit/CompilerOutputter.h>
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| 11 | #include <cppunit/extensions/TestFactoryRegistry.h>
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| 12 | #include <cppunit/ui/text/TestRunner.h>
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| 13 | 
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| 14 | #include <cstring>
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| 15 | 
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| 16 | #include "analysis_correlation.hpp"
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| 17 | #include "AnalysisCorrelationToPointUnitTest.hpp"
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| 18 | 
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| 19 | #include "World.hpp"
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| 20 | #include "atom.hpp"
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| 21 | #include "boundary.hpp"
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| 22 | #include "element.hpp"
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| 23 | #include "molecule.hpp"
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| 24 | #include "linkedcell.hpp"
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| 25 | #include "periodentafel.hpp"
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| 26 | #include "tesselation.hpp"
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| 27 | #include "World.hpp"
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| 28 | 
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| 29 | #ifdef HAVE_TESTRUNNER
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| 30 | #include "UnitTestMain.hpp"
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| 31 | #endif /*HAVE_TESTRUNNER*/
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| 32 | 
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| 33 | /********************************************** Test classes **************************************/
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| 34 | 
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| 35 | // Registers the fixture into the 'registry'
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| 36 | CPPUNIT_TEST_SUITE_REGISTRATION( AnalysisCorrelationToPointUnitTest );
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| 37 | 
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| 38 | void AnalysisCorrelationToPointUnitTest::setUp()
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| 39 | {
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| 40 |   atom *Walker = NULL;
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| 41 | 
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| 42 |   // init private all pointers to zero
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| 43 |   TestList = NULL;
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| 44 |   TestMolecule = NULL;
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| 45 |   hydrogen = NULL;
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| 46 |   tafel = NULL;
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| 47 |   pointmap = NULL;
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| 48 |   binmap = NULL;
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| 49 |   point = NULL;
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| 50 | 
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| 51 |   // construct element
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| 52 |   hydrogen = new element;
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| 53 |   hydrogen->Z = 1;
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| 54 |   strcpy(hydrogen->name, "hydrogen");
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| 55 |   strcpy(hydrogen->symbol, "H");
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| 56 | 
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| 57 | 
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| 58 |   // construct periodentafel
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| 59 |   tafel = World::getInstance().getPeriode();
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| 60 |   tafel->AddElement(hydrogen);
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| 61 | 
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| 62 |   // construct molecule (tetraeder of hydrogens)
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| 63 |   TestMolecule = World::getInstance().createMolecule();
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| 64 |   Walker = World::getInstance().createAtom();
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| 65 |   Walker->type = hydrogen;
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| 66 |   Walker->node->Init(1., 0., 1. );
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| 67 |   TestMolecule->AddAtom(Walker);
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| 68 |   Walker = World::getInstance().createAtom();
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| 69 |   Walker->type = hydrogen;
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| 70 |   Walker->node->Init(0., 1., 1. );
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| 71 |   TestMolecule->AddAtom(Walker);
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| 72 |   Walker = World::getInstance().createAtom();
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| 73 |   Walker->type = hydrogen;
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| 74 |   Walker->node->Init(1., 1., 0. );
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| 75 |   TestMolecule->AddAtom(Walker);
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| 76 |   Walker = World::getInstance().createAtom();
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| 77 |   Walker->type = hydrogen;
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| 78 |   Walker->node->Init(0., 0., 0. );
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| 79 |   TestMolecule->AddAtom(Walker);
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| 80 | 
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| 81 |   // check that TestMolecule was correctly constructed
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| 82 |   CPPUNIT_ASSERT_EQUAL( TestMolecule->AtomCount, 4 );
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| 83 | 
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| 84 |   TestList = World::getInstance().getMolecules();
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| 85 |   TestMolecule->ActiveFlag = true;
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| 86 |   TestList->insert(TestMolecule);
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| 87 | 
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| 88 |   // init point
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| 89 |   point = new Vector(1.,1.,1.);
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| 90 | 
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| 91 |   // init maps
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| 92 |   pointmap = CorrelationToPoint( (MoleculeListClass * const)TestList, (const element * const)hydrogen, (const Vector *)point );
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| 93 |   binmap = NULL;
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| 94 | 
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| 95 | };
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| 96 | 
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| 97 | 
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| 98 | void AnalysisCorrelationToPointUnitTest::tearDown()
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| 99 | {
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| 100 |   if (pointmap != NULL)
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| 101 |     delete(pointmap);
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| 102 |   if (binmap != NULL)
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| 103 |     delete(binmap);
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| 104 | 
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| 105 |   delete(point);
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| 106 |   World::purgeInstance();
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| 107 |   MemoryUsageObserver::purgeInstance();
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| 108 |   logger::purgeInstance();
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| 109 | };
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| 110 | 
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| 111 | void AnalysisCorrelationToPointUnitTest::CorrelationToPointTest()
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| 112 | {
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| 113 |   // do the pair correlation
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| 114 |   CPPUNIT_ASSERT( pointmap != NULL );
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| 115 |   CPPUNIT_ASSERT_EQUAL( (size_t)4, pointmap->size() );
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| 116 | 
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| 117 | };
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| 118 | 
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| 119 | void AnalysisCorrelationToPointUnitTest::CorrelationToPointBinNoRangeTest()
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| 120 | {
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| 121 |   BinPairMap::iterator tester;
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| 122 |   // put pair correlation into bins and check with no range
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| 123 |   binmap = BinData( pointmap, 0.5, 0., 0. );
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| 124 |   CPPUNIT_ASSERT_EQUAL( (size_t)2, binmap->size() );
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| 125 |   //OutputCorrelation ( binmap );
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| 126 |   tester = binmap->begin();
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| 127 |   CPPUNIT_ASSERT_EQUAL( 1., tester->first );
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| 128 |   CPPUNIT_ASSERT_EQUAL( 3, tester->second );
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| 129 | 
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| 130 | };
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| 131 | 
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| 132 | void AnalysisCorrelationToPointUnitTest::CorrelationToPointBinRangeTest()
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| 133 | {
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| 134 |   BinPairMap::iterator tester;
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| 135 |   // ... and check with [0., 2.] range
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| 136 |   binmap = BinData( pointmap, 0.5, 0., 2. );
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| 137 |   CPPUNIT_ASSERT_EQUAL( (size_t)5, binmap->size() );
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| 138 |   //OutputCorrelation ( binmap );
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| 139 |   tester = binmap->begin();
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| 140 |   CPPUNIT_ASSERT_EQUAL( 0., tester->first );
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| 141 |   tester = binmap->find(1.);
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| 142 |   CPPUNIT_ASSERT_EQUAL( 1., tester->first );
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| 143 |   CPPUNIT_ASSERT_EQUAL( 3, tester->second );
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| 144 | 
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| 145 | };
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