source: src/Graph/unittests/BondGraphUnitTest.cpp@ 9b6663

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Last change on this file since 9b6663 was 9b6663, checked in by Frederik Heber <heber@…>, 13 years ago

Added operator==() to BondGraph.

  • Property mode set to 100644
File size: 5.2 KB
Line 
1/*
2 * Project: MoleCuilder
3 * Description: creates and alters molecular systems
4 * Copyright (C) 2010 University of Bonn. All rights reserved.
5 * Please see the LICENSE file or "Copyright notice" in builder.cpp for details.
6 */
7
8/*
9 * BondGraphUnitTest.cpp
10 *
11 * Created on: Oct 29, 2009
12 * Author: heber
13 */
14
15// include config.h
16#ifdef HAVE_CONFIG_H
17#include <config.h>
18#endif
19
20using namespace std;
21
22#include <cppunit/CompilerOutputter.h>
23#include <cppunit/extensions/TestFactoryRegistry.h>
24#include <cppunit/ui/text/TestRunner.h>
25
26#include <iostream>
27#include <stdio.h>
28#include <cstring>
29
30#include "CodePatterns/Assert.hpp"
31
32#include "atom.hpp"
33#include "Bond/bond.hpp"
34#include "CodePatterns/Log.hpp"
35#include "Element/element.hpp"
36#include "Graph/BondGraph.hpp"
37#include "molecule.hpp"
38#include "Element/periodentafel.hpp"
39#include "World.hpp"
40#include "WorldTime.hpp"
41
42#include "BondGraphUnitTest.hpp"
43
44#ifdef HAVE_TESTRUNNER
45#include "UnitTestMain.hpp"
46#endif /*HAVE_TESTRUNNER*/
47
48/********************************************** Test classes **************************************/
49
50// Registers the fixture into the 'registry'
51CPPUNIT_TEST_SUITE_REGISTRATION( BondGraphTest );
52
53
54void BondGraphTest::setUp()
55{
56 atom *Walker = NULL;
57
58 // construct element
59 hydrogen = World::getInstance().getPeriode()->FindElement(1);
60 carbon = World::getInstance().getPeriode()->FindElement(6);
61 CPPUNIT_ASSERT(hydrogen != NULL && "could not find element hydrogen");
62 CPPUNIT_ASSERT(carbon != NULL && "could not find element carbon");
63
64 // construct molecule (tetraeder of hydrogens)
65 TestMolecule = World::getInstance().createMolecule();
66 CPPUNIT_ASSERT(TestMolecule != NULL && "could not create molecule");
67 Walker = World::getInstance().createAtom();
68 CPPUNIT_ASSERT(Walker != NULL && "could not create atom");
69 Walker->setType(carbon);
70 Walker->setPosition(Vector(1., 0., 1. ));
71 TestMolecule->AddAtom(Walker);
72
73 Walker = World::getInstance().createAtom();
74 CPPUNIT_ASSERT(Walker != NULL && "could not create atom");
75 Walker->setType(carbon);
76 Walker->setPosition(Vector(0., 1., 1. ));
77 TestMolecule->AddAtom(Walker);
78
79 Walker = World::getInstance().createAtom();
80 CPPUNIT_ASSERT(Walker != NULL && "could not create atom");
81 Walker->setType(carbon);
82 Walker->setPosition(Vector(1., 1., 0. ));
83 TestMolecule->AddAtom(Walker);
84
85 Walker = World::getInstance().createAtom();
86 CPPUNIT_ASSERT(Walker != NULL && "could not create atom");
87 Walker->setType(carbon);
88 Walker->setPosition(Vector(0., 0., 0. ));
89 TestMolecule->AddAtom(Walker);
90
91 // check that TestMolecule was correctly constructed
92 CPPUNIT_ASSERT_EQUAL( TestMolecule->getAtomCount(), 4 );
93
94 // create stream with table
95 test << ".\tH\tHe\tLi\tBe\tB\tC\n";
96 test << "H\t1.\t1.\t1.\t1.\t1.\t1.2\n";
97 test << "He\t1.\t1.\t1.\t1.\t1.\t1.\n";
98 test << "Li\t1.\t1.\t1.\t1.\t1.\t1.\n";
99 test << "Be\t1.\t1.\t1.\t1.\t1.\t1.\n";
100 test << "B\t1.\t1.\t1.\t1.\t1.\t1.\n";
101 test << "C\t1.2\t1.\t1.\t1.\t1.\t1.5\n";
102 // created bad stream (i.e. non-present file)
103 dummy.setstate(ios::eofbit);
104 CPPUNIT_ASSERT(dummy.eof());
105 BG = new BondGraph(true);
106 CPPUNIT_ASSERT(BG != NULL && "could not create BondGraph");
107};
108
109
110void BondGraphTest::tearDown()
111{
112 // remove the file
113 delete(BG);
114
115 // remove molecule
116 World::getInstance().destroyMolecule(TestMolecule);
117 // note that all the atoms, molecules, the tafel and the elements
118 // are all cleaned when the world is destroyed
119 World::purgeInstance();
120 logger::purgeInstance();
121};
122
123/** Tests whether setup worked.
124 */
125void BondGraphTest::SetupTest()
126{
127 CPPUNIT_ASSERT_EQUAL (false, TestMolecule->empty());
128 CPPUNIT_ASSERT_EQUAL ((size_t)4, TestMolecule->size());
129};
130
131/** UnitTest for BondGraphTest::LoadBondLengthTable().
132 */
133void BondGraphTest::LoadTableTest()
134{
135 CPPUNIT_ASSERT_EQUAL( true , BG->LoadBondLengthTable(test) );
136 CPPUNIT_ASSERT_EQUAL( 1., BG->GetBondLength(0,0) );
137 CPPUNIT_ASSERT_EQUAL( 1.2, BG->GetBondLength(0,5) );
138 CPPUNIT_ASSERT_EQUAL( 1.5, BG->GetBondLength(5,5) );
139};
140
141/** UnitTest for BondGraphTest::CreateAdjacency().
142 */
143void BondGraphTest::ConstructGraphFromTableTest()
144{
145 molecule::iterator Walker = TestMolecule->begin();
146 molecule::iterator Runner = TestMolecule->begin();
147 Runner++;
148 CPPUNIT_ASSERT_EQUAL( true , BG->LoadBondLengthTable(test) );
149 molecule::atomVector Set = TestMolecule->getAtomSet();
150 BG->CreateAdjacency(Set);
151 CPPUNIT_ASSERT( TestMolecule->getBondCount() != 0);
152 CPPUNIT_ASSERT_EQUAL( true , (*Walker)->IsBondedTo(WorldTime::getTime(), (*Runner)) );
153};
154
155/** UnitTest for BondGraphTest::CreateAdjacency().
156 */
157void BondGraphTest::ConstructGraphFromCovalentRadiiTest()
158{
159
160 CPPUNIT_ASSERT_EQUAL( false , BG->LoadBondLengthTable(dummy) );
161 molecule::atomVector Set = TestMolecule->getAtomSet();
162 BG->CreateAdjacency(Set);
163 CPPUNIT_ASSERT( TestMolecule->getBondCount() != 0);
164
165 // this cannot be assured using dynamic IDs
166 //CPPUNIT_ASSERT_EQUAL( true , Walker->IsBondedTo(Runner) );
167};
168
169/** UnitTest for operator==()
170 */
171void BondGraphTest::EqualityTest()
172{
173 // compare to self
174 CPPUNIT_ASSERT( *BG == *BG );
175
176 // create other instance
177 BondGraph *BG2 = new BondGraph(true);
178 CPPUNIT_ASSERT( *BG == *BG2 );
179 BG2->IsAngstroem = false;
180 CPPUNIT_ASSERT( *BG != *BG2 );
181 delete BG2;
182};
183
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