source: src/Fragmentation/SetValues/unittests/IndexedVectorsUnitTest.cpp@ 7d92f1

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Last change on this file since 7d92f1 was 7d92f1, checked in by Frederik Heber <heber@…>, 12 years ago

Added another SetValues named IndexedVectors for a bunch of (force) vectors associated to an index.

  • this is required to sum up forces obtained from fragments.
  • Property mode set to 100644
File size: 4.8 KB
Line 
1/*
2 * Project: MoleCuilder
3 * Description: creates and alters molecular systems
4 * Copyright (C) 2012 University of Bonn. All rights reserved.
5 *
6 *
7 * This file is part of MoleCuilder.
8 *
9 * MoleCuilder is free software: you can redistribute it and/or modify
10 * it under the terms of the GNU General Public License as published by
11 * the Free Software Foundation, either version 2 of the License, or
12 * (at your option) any later version.
13 *
14 * MoleCuilder is distributed in the hope that it will be useful,
15 * but WITHOUT ANY WARRANTY; without even the implied warranty of
16 * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the
17 * GNU General Public License for more details.
18 *
19 * You should have received a copy of the GNU General Public License
20 * along with MoleCuilder. If not, see <http://www.gnu.org/licenses/>.
21 */
22
23/*
24 * IndexedVectorsUnitTest.cpp
25 *
26 * Created on: Jul 29, 2012
27 * Author: heber
28 */
29
30// include config.h
31#ifdef HAVE_CONFIG_H
32#include <config.h>
33#endif
34
35using namespace std;
36
37#include <cppunit/CompilerOutputter.h>
38#include <cppunit/extensions/TestFactoryRegistry.h>
39#include <cppunit/ui/text/TestRunner.h>
40
41#include "IndexedVectorsUnitTest.hpp"
42
43#include <cmath>
44#include <limits>
45
46#include <boost/assign.hpp>
47
48
49#include "CodePatterns/Assert.hpp"
50
51#ifdef HAVE_TESTRUNNER
52#include "UnitTestMain.hpp"
53#endif /*HAVE_TESTRUNNER*/
54
55using namespace boost::assign;
56
57/********************************************** Test classes **************************************/
58
59// Registers the fixture into the 'registry'
60CPPUNIT_TEST_SUITE_REGISTRATION( IndexedVectorsTest );
61
62
63void IndexedVectorsTest::setUp()
64{
65 // failing asserts should be thrown
66 ASSERT_DO(Assert::Throw);
67
68 // create two vector_t
69 ones += 1.,1.,1.;
70 twos += 2.,2.,2.;
71 threes += 3.,3.,3.;
72 CPPUNIT_ASSERT_EQUAL( IndexedVectors::FixedSize, ones.size() );
73 CPPUNIT_ASSERT_EQUAL( IndexedVectors::FixedSize, twos.size() );
74 CPPUNIT_ASSERT_EQUAL( IndexedVectors::FixedSize, threes.size() );
75
76 // create vectors
77
78 IndexedVectors::vectors_t vectors;
79 vectors.push_back(ones);
80 vectors.push_back(twos);
81 IndexedVectors::vectors_t othervectors;
82 othervectors.push_back(threes);
83 othervectors.push_back(threes);
84
85 // create two indices
86 IndexedVectors::indices_t indices;
87 indices += 1,2;
88 IndexedVectors::indices_t otherindices;
89 otherindices += 1,3;
90
91 // create indexed vectors
92 ivectors = new IndexedVectors(indices, vectors);
93 otherivectors = new IndexedVectors(otherindices, othervectors);
94}
95
96
97void IndexedVectorsTest::tearDown()
98{
99 delete ivectors;
100 delete otherivectors;
101}
102
103/** UnitTest for operator+=()
104 */
105void IndexedVectorsTest::operatorPlusEqual_Test()
106{
107 // safeguard initial sizes
108 CPPUNIT_ASSERT_EQUAL( (size_t)2, ivectors->vectors.size() );
109 CPPUNIT_ASSERT_EQUAL( (size_t)2, otherivectors->vectors.size() );
110
111 // perform operation
112 *ivectors += *otherivectors;
113
114 // check new and ole sizes
115 CPPUNIT_ASSERT_EQUAL( (size_t)3, ivectors->vectors.size() );
116 CPPUNIT_ASSERT_EQUAL( (size_t)2, otherivectors->vectors.size() );
117
118 // then check result
119 IndexedVectors::vector_t result( IndexedVectors::nullvector );
120 CPPUNIT_ASSERT_EQUAL( IndexedVectors::FixedSize, result.size() );
121 for (size_t i=0; i<IndexedVectors::FixedSize; ++i)
122 result[i] = ones[i] + threes[i];
123 for (IndexedVectors::indexedvectors_t::const_iterator iter = ivectors->vectors.begin();
124 iter != ivectors->vectors.end(); ++iter) {
125 CPPUNIT_ASSERT_EQUAL( IndexedVectors::FixedSize, iter->second.size() );
126 }
127 CPPUNIT_ASSERT_EQUAL( result, ivectors->vectors[1] );
128 CPPUNIT_ASSERT_EQUAL( twos, ivectors->vectors[2] );
129 CPPUNIT_ASSERT_EQUAL( threes, ivectors->vectors[3] );
130}
131
132/** UnitTest for operator-=()
133 */
134void IndexedVectorsTest::operatorMinusEqual_Test()
135{
136 // safeguard initial sizes
137 CPPUNIT_ASSERT_EQUAL( (size_t)2, ivectors->vectors.size() );
138 CPPUNIT_ASSERT_EQUAL( (size_t)2, otherivectors->vectors.size() );
139
140 // perform operation
141 *ivectors -= *otherivectors;
142
143 // check new and ole sizes
144 CPPUNIT_ASSERT_EQUAL( (size_t)3, ivectors->vectors.size() );
145 CPPUNIT_ASSERT_EQUAL( (size_t)2, otherivectors->vectors.size() );
146
147 // then check result
148 IndexedVectors::vector_t result( IndexedVectors::nullvector );
149 IndexedVectors::vector_t thirdresult( IndexedVectors::nullvector );
150 CPPUNIT_ASSERT_EQUAL( IndexedVectors::FixedSize, result.size() );
151 for (size_t i=0; i<IndexedVectors::FixedSize; ++i) {
152 result[i] = ones[i] - threes[i];
153 thirdresult[i] = -threes[i];
154 }
155 for (IndexedVectors::indexedvectors_t::const_iterator iter = ivectors->vectors.begin();
156 iter != ivectors->vectors.end(); ++iter) {
157 CPPUNIT_ASSERT_EQUAL( IndexedVectors::FixedSize, iter->second.size() );
158 }
159 CPPUNIT_ASSERT_EQUAL( result, ivectors->vectors[1] );
160 CPPUNIT_ASSERT_EQUAL( twos, ivectors->vectors[2] );
161 CPPUNIT_ASSERT_EQUAL( thirdresult, ivectors->vectors[3] );
162}
163
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