source: src/unittests/AnalysisCorrelationToPointUnitTest.cpp@ 06c7a3

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Last change on this file since 06c7a3 was c4d4df, checked in by Frederik Heber <heber@…>, 15 years ago

Pair correlation analysis added.

Unit tests are working fine.

  • Property mode set to 100644
File size: 4.2 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 "analysis_correlation.hpp"
15#include "AnalysisCorrelationToPointUnitTest.hpp"
16
17#include "atom.hpp"
18#include "boundary.hpp"
19#include "element.hpp"
20#include "molecule.hpp"
21#include "linkedcell.hpp"
22#include "periodentafel.hpp"
23#include "tesselation.hpp"
24
25/********************************************** Test classes **************************************/
26
27// Registers the fixture into the 'registry'
28CPPUNIT_TEST_SUITE_REGISTRATION( AnalysisCorrelationToPointUnitTest );
29
30void AnalysisCorrelationToPointUnitTest::setUp()
31{
32 atom *Walker = NULL;
33
34 // init private all pointers to zero
35 TestMolecule = NULL;
36 hydrogen = NULL;
37 tafel = NULL;
38 pointmap = NULL;
39 binmap = NULL;
40 point = NULL;
41
42 // construct element
43 hydrogen = new element;
44 hydrogen->Z = 1;
45 strcpy(hydrogen->name, "hydrogen");
46 hydrogen->symbol[0] = 'H';
47
48 // construct periodentafel
49 tafel = new periodentafel;
50 tafel->AddElement(hydrogen);
51
52 // construct molecule (tetraeder of hydrogens)
53 TestMolecule = new molecule(tafel);
54 Walker = new atom();
55 Walker->type = hydrogen;
56 Walker->node->Init(1., 0., 1. );
57 TestMolecule->AddAtom(Walker);
58 Walker = new atom();
59 Walker->type = hydrogen;
60 Walker->node->Init(0., 1., 1. );
61 TestMolecule->AddAtom(Walker);
62 Walker = new atom();
63 Walker->type = hydrogen;
64 Walker->node->Init(1., 1., 0. );
65 TestMolecule->AddAtom(Walker);
66 Walker = new atom();
67 Walker->type = hydrogen;
68 Walker->node->Init(0., 0., 0. );
69 TestMolecule->AddAtom(Walker);
70
71 // check that TestMolecule was correctly constructed
72 CPPUNIT_ASSERT_EQUAL( TestMolecule->AtomCount, 4 );
73
74 // init point
75 point = new Vector(1.,1.,1.);
76
77 // init maps
78 pointmap = CorrelationToPoint( (ofstream *)&cout, TestMolecule, hydrogen, point );
79 binmap = NULL;
80
81};
82
83
84void AnalysisCorrelationToPointUnitTest::tearDown()
85{
86 if (pointmap != NULL)
87 delete(pointmap);
88 if (binmap != NULL)
89 delete(binmap);
90
91 // remove
92 delete(TestMolecule);
93 // note that all the atoms are cleaned by TestMolecule
94 delete(point);
95 delete(tafel);
96 // note that element is cleaned by periodentafel
97};
98
99void AnalysisCorrelationToPointUnitTest::CorrelationToPointTest()
100{
101 // do the pair correlation
102 CPPUNIT_ASSERT( pointmap != NULL );
103 CPPUNIT_ASSERT_EQUAL( (size_t)4, pointmap->size() );
104
105};
106
107void AnalysisCorrelationToPointUnitTest::CorrelationToPointBinNoRangeTest()
108{
109 BinPairMap::iterator tester;
110 // put pair correlation into bins and check with no range
111 binmap = BinData( (ofstream *)&cout, pointmap, 0.5, 0., 0. );
112 CPPUNIT_ASSERT_EQUAL( (size_t)2, binmap->size() );
113 //OutputCorrelation ( (ofstream *)&cout, binmap );
114 tester = binmap->begin();
115 CPPUNIT_ASSERT_EQUAL( 1., tester->first );
116 CPPUNIT_ASSERT_EQUAL( 3, tester->second );
117
118};
119
120void AnalysisCorrelationToPointUnitTest::CorrelationToPointBinRangeTest()
121{
122 BinPairMap::iterator tester;
123 // ... and check with [0., 2.] range
124 binmap = BinData( (ofstream *)&cout, pointmap, 0.5, 0., 2. );
125 CPPUNIT_ASSERT_EQUAL( (size_t)5, binmap->size() );
126 //OutputCorrelation ( (ofstream *)&cout, binmap );
127 tester = binmap->begin();
128 CPPUNIT_ASSERT_EQUAL( 0., tester->first );
129 tester = binmap->find(1.);
130 CPPUNIT_ASSERT_EQUAL( 1., tester->first );
131 CPPUNIT_ASSERT_EQUAL( 3, tester->second );
132
133};
134
135/********************************************** Main routine **************************************/
136
137int main(int argc, char **argv)
138{
139 // Get the top level suite from the registry
140 CppUnit::Test *suite = CppUnit::TestFactoryRegistry::getRegistry().makeTest();
141
142 // Adds the test to the list of test to run
143 CppUnit::TextUi::TestRunner runner;
144 runner.addTest( suite );
145
146 // Change the default outputter to a compiler error format outputter
147 runner.setOutputter( new CppUnit::CompilerOutputter( &runner.result(),
148 std::cerr ) );
149 // Run the tests.
150 bool wasSucessful = runner.run();
151
152 // Return error code 1 if the one of test failed.
153 return wasSucessful ? 0 : 1;
154};
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