source: src/unittests/AnalysisCorrelationToPointUnitTest.cpp@ c6efc1

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Last change on this file since c6efc1 was 8cbb97, checked in by Tillmann Crueger <crueger@…>, 15 years ago

Merge branch 'VectorRefactoring' into StructureRefactoring

Conflicts:

molecuilder/src/Legacy/oldmenu.cpp
molecuilder/src/Makefile.am
molecuilder/src/analysis_correlation.cpp
molecuilder/src/boundary.cpp
molecuilder/src/builder.cpp
molecuilder/src/config.cpp
molecuilder/src/ellipsoid.cpp
molecuilder/src/linkedcell.cpp
molecuilder/src/molecule.cpp
molecuilder/src/molecule_fragmentation.cpp
molecuilder/src/molecule_geometry.cpp
molecuilder/src/molecule_graph.cpp
molecuilder/src/moleculelist.cpp
molecuilder/src/tesselation.cpp
molecuilder/src/tesselationhelpers.cpp
molecuilder/src/unittests/AnalysisCorrelationToSurfaceUnitTest.cpp
molecuilder/src/unittests/bondgraphunittest.cpp
molecuilder/src/vector.cpp
molecuilder/src/vector.hpp
  • Property mode set to 100644
File size: 3.8 KB
Line 
1/*
2 * AnalysisCorrelationToPointUnitTest.cpp
3 *
4 * Created on: Oct 13, 2009
5 * Author: heber
6 */
7
8using namespace std;
9
10#include <cppunit/CompilerOutputter.h>
11#include <cppunit/extensions/TestFactoryRegistry.h>
12#include <cppunit/ui/text/TestRunner.h>
13
14#include <cstring>
15
16#include "analysis_correlation.hpp"
17#include "AnalysisCorrelationToPointUnitTest.hpp"
18
19#include "World.hpp"
20#include "atom.hpp"
21#include "boundary.hpp"
22#include "element.hpp"
23#include "molecule.hpp"
24#include "linkedcell.hpp"
25#include "periodentafel.hpp"
26#include "tesselation.hpp"
27#include "World.hpp"
28
29#ifdef HAVE_TESTRUNNER
30#include "UnitTestMain.hpp"
31#endif /*HAVE_TESTRUNNER*/
32
33/********************************************** Test classes **************************************/
34
35// Registers the fixture into the 'registry'
36CPPUNIT_TEST_SUITE_REGISTRATION( AnalysisCorrelationToPointUnitTest );
37
38void AnalysisCorrelationToPointUnitTest::setUp()
39{
40 atom *Walker = NULL;
41
42 // init private all pointers to zero
43 TestList = NULL;
44 TestMolecule = NULL;
45 hydrogen = NULL;
46 tafel = NULL;
47 pointmap = NULL;
48 binmap = NULL;
49 point = NULL;
50
51 // construct element
52 hydrogen = new element;
53 hydrogen->Z = 1;
54 strcpy(hydrogen->name, "hydrogen");
55 strcpy(hydrogen->symbol, "H");
56
57
58 // construct periodentafel
59 tafel = World::getInstance().getPeriode();
60 tafel->AddElement(hydrogen);
61
62 // construct molecule (tetraeder of hydrogens)
63 TestMolecule = World::getInstance().createMolecule();
64 Walker = World::getInstance().createAtom();
65 Walker->type = hydrogen;
66 *Walker->node = Vector(1., 0., 1. );
67 TestMolecule->AddAtom(Walker);
68 Walker = World::getInstance().createAtom();
69 Walker->type = hydrogen;
70 *Walker->node = Vector(0., 1., 1. );
71 TestMolecule->AddAtom(Walker);
72 Walker = World::getInstance().createAtom();
73 Walker->type = hydrogen;
74 *Walker->node = Vector(1., 1., 0. );
75 TestMolecule->AddAtom(Walker);
76 Walker = World::getInstance().createAtom();
77 Walker->type = hydrogen;
78 *Walker->node = Vector(0., 0., 0. );
79 TestMolecule->AddAtom(Walker);
80
81 // check that TestMolecule was correctly constructed
82 CPPUNIT_ASSERT_EQUAL( TestMolecule->AtomCount, 4 );
83
84 TestList = World::getInstance().getMolecules();
85 TestList->insert(TestMolecule);
86 TestMolecule->ActiveFlag = true;
87
88 // init point
89 point = new Vector(1.,1.,1.);
90
91 // init maps
92 pointmap = CorrelationToPoint( (MoleculeListClass * const)TestList, (const element * const)hydrogen, (const Vector *)point );
93 binmap = NULL;
94
95};
96
97
98void AnalysisCorrelationToPointUnitTest::tearDown()
99{
100 if (pointmap != NULL)
101 delete(pointmap);
102 if (binmap != NULL)
103 delete(binmap);
104
105 delete(point);
106 World::purgeInstance();
107 MemoryUsageObserver::purgeInstance();
108 logger::purgeInstance();
109};
110
111void AnalysisCorrelationToPointUnitTest::CorrelationToPointTest()
112{
113 // do the pair correlation
114 CPPUNIT_ASSERT( pointmap != NULL );
115 CPPUNIT_ASSERT_EQUAL( (size_t)4, pointmap->size() );
116
117};
118
119void AnalysisCorrelationToPointUnitTest::CorrelationToPointBinNoRangeTest()
120{
121 BinPairMap::iterator tester;
122 // put pair correlation into bins and check with no range
123 binmap = BinData( pointmap, 0.5, 0., 0. );
124 OutputCorrelation ( (ofstream *)&cout, binmap );
125 CPPUNIT_ASSERT_EQUAL( (size_t)3, binmap->size() );
126 tester = binmap->begin();
127 CPPUNIT_ASSERT_EQUAL( 1., tester->first );
128 CPPUNIT_ASSERT_EQUAL( 3, tester->second );
129
130};
131
132void AnalysisCorrelationToPointUnitTest::CorrelationToPointBinRangeTest()
133{
134 BinPairMap::iterator tester;
135 // ... and check with [0., 2.] range
136 binmap = BinData( pointmap, 0.5, 0., 2. );
137 OutputCorrelation ( (ofstream *)&cout, binmap );
138 CPPUNIT_ASSERT_EQUAL( (size_t)5, binmap->size() );
139 tester = binmap->begin();
140 CPPUNIT_ASSERT_EQUAL( 0., tester->first );
141 tester = binmap->find(1.);
142 CPPUNIT_ASSERT_EQUAL( 1., tester->first );
143 CPPUNIT_ASSERT_EQUAL( 3, tester->second );
144
145};
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