| [bcf653] | 1 | /*
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 | 2 |  * Project: MoleCuilder
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 | 3 |  * Description: creates and alters molecular systems
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 | 4 |  * Copyright (C)  2010 University of Bonn. All rights reserved.
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 | 5 |  * Please see the LICENSE file or "Copyright notice" in builder.cpp for details.
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 | 6 |  */
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 | 7 | 
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| [fc3b67] | 8 | /*
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| [fff54f] | 9 |  * MatrixContentUnitTest.cpp
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| [fc3b67] | 10 |  *
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 | 11 |  *  Created on: Jan 8, 2010
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 | 12 |  *      Author: heber
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 | 13 |  */
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 | 14 | 
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| [bf3817] | 15 | // include config.h
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 | 16 | #ifdef HAVE_CONFIG_H
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 | 17 | #include <config.h>
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 | 18 | #endif
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 | 19 | 
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| [fc3b67] | 20 | using namespace std;
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 | 21 | 
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 | 22 | #include <cppunit/CompilerOutputter.h>
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 | 23 | #include <cppunit/extensions/TestFactoryRegistry.h>
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 | 24 | #include <cppunit/ui/text/TestRunner.h>
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 | 25 | 
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| [fff54f] | 26 | #include "MatrixContentUnitTest.hpp"
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| [0d4424] | 27 | 
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| [bf4b9f] | 28 | #include "MatrixContent.hpp"
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| [fc3b67] | 29 | 
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| [9b6b2f] | 30 | #ifdef HAVE_TESTRUNNER
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 | 31 | #include "UnitTestMain.hpp"
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 | 32 | #endif /*HAVE_TESTRUNNER*/
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 | 33 | 
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| [fc3b67] | 34 | /********************************************** Test classes **************************************/
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 | 35 | 
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 | 36 | // Registers the fixture into the 'registry'
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| [0d4424] | 37 | CPPUNIT_TEST_SUITE_REGISTRATION( MatrixContentTest );
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| [fc3b67] | 38 | 
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 | 39 | 
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| [0d4424] | 40 | void MatrixContentTest::setUp()
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| [fc3b67] | 41 | {
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| [0d4424] | 42 |   m = new MatrixContent(4,3);
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| [fc3b67] | 43 | };
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 | 44 | 
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| [0d4424] | 45 | void MatrixContentTest::tearDown()
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| [fc3b67] | 46 | {
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 | 47 |   delete(m);
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 | 48 | };
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 | 49 | 
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 | 50 | /** Unit Test for accessing matrix elements.
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 | 51 |  *
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 | 52 |  */
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| [0d4424] | 53 | void MatrixContentTest::AccessTest()
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| [fc3b67] | 54 | {
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 | 55 |   // check whether all elements are initially zero
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 | 56 |   for (int i=0;i<4;i++)
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 | 57 |     for (int j=0;j<3;j++)
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| [0d4424] | 58 |       CPPUNIT_ASSERT_EQUAL( 0., m->at(i,j) );
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| [fc3b67] | 59 | 
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 | 60 |   // set
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 | 61 |   for (int i=0;i<4;i++)
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 | 62 |     for (int j=0;j<3;j++)
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| [0d4424] | 63 |       m->set(i,j, i*3+j );
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| [fc3b67] | 64 | 
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 | 65 |   // and check
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 | 66 |   double *ptr = NULL;
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 | 67 |   for (int i=0;i<4;i++)
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 | 68 |     for (int j=0;j<3;j++) {
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| [0d4424] | 69 |       CPPUNIT_ASSERT_EQUAL( (double)(i*3+j), m->at(i,j) );
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| [fc3b67] | 70 |       ptr = m->Pointer(i,j);
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 | 71 |       CPPUNIT_ASSERT_EQUAL( (double)(i*3+j), *ptr );
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 | 72 |     }
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 | 73 | 
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 | 74 |   // assignment
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 | 75 |   for (int i=0;i<4;i++)
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 | 76 |     for (int j=0;j<3;j++)
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| [0d4424] | 77 |       m->set(i,j, i*3+j );
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 | 78 |   MatrixContent *dest = new MatrixContent(4,3);
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| [fc3b67] | 79 |   *dest = *m;
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 | 80 |   for (int i=0;i<4;i++)
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 | 81 |     for (int j=0;j<3;j++)
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| [0d4424] | 82 |       CPPUNIT_ASSERT_EQUAL( dest->at(i,j), m->at(i,j) );
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| [fc3b67] | 83 |   delete(dest);
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 | 84 | 
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 | 85 |   // out of bounds
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| [0d4424] | 86 |   //CPPUNIT_ASSERT_EQUAL(0., v->at(5,2) );
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 | 87 |   //CPPUNIT_ASSERT_EQUAL(0., v->at(2,17) );
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 | 88 |   //CPPUNIT_ASSERT_EQUAL(0., v->at(1024,140040) );
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 | 89 |   //CPPUNIT_ASSERT_EQUAL(0., v->at(-1,0) );
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 | 90 |   //CPPUNIT_ASSERT_EQUAL(0., v->at(0,-1) );
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 | 91 |   //CPPUNIT_ASSERT_EQUAL(0., v->at(-1,-1) );
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| [fc3b67] | 92 | };
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 | 93 | 
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 | 94 | /** Unit Test for initializating matrices.
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 | 95 |  *
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 | 96 |  */
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| [0d4424] | 97 | void MatrixContentTest::InitializationTest()
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| [fc3b67] | 98 | {
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 | 99 |   // set zero
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| [0d4424] | 100 |   m->setZero();
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| [fc3b67] | 101 |   for (int i=0;i<4;i++)
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 | 102 |     for (int j=0;j<3;j++)
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| [0d4424] | 103 |       CPPUNIT_ASSERT_EQUAL( 0., m->at(i,j) );
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| [fc3b67] | 104 | 
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 | 105 |   // set all
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| [0d4424] | 106 |   m->setValue(1.5);
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| [fc3b67] | 107 |   for (int i=0;i<4;i++)
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 | 108 |     for (int j=0;j<3;j++)
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| [0d4424] | 109 |       CPPUNIT_ASSERT_EQUAL( 1.5, m->at(i,j) );
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| [fc3b67] | 110 | 
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 | 111 |   // set basis
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| [0d4424] | 112 |   m->setIdentity();
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| [fc3b67] | 113 |   for (int i=0;i<4;i++)
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 | 114 |     for (int j=0;j<3;j++)
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| [0d4424] | 115 |       CPPUNIT_ASSERT_EQUAL( i == j ? 1. : 0. , m->at(i,j) );
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| [fc3b67] | 116 | 
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 | 117 |   // set from array
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 | 118 |   double array[] = { 1., 0., 0.,
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 | 119 |                      0., 1., 0.,
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 | 120 |                      0., 0., 1.,
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 | 121 |                      0., 0., 0. };
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| [0d4424] | 122 |   m->setFromDoubleArray(array);
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| [fc3b67] | 123 |   for (int i=0;i<4;i++)
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 | 124 |     for (int j=0;j<3;j++)
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| [0d4424] | 125 |       CPPUNIT_ASSERT_EQUAL( i == j ? 1. : 0. , m->at(i,j) );
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| [fc3b67] | 126 | 
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 | 127 | };
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 | 128 | 
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 | 129 | /** Unit Test for copying matrices.
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 | 130 |  *
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 | 131 |  */
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| [0d4424] | 132 | void MatrixContentTest::CopyTest()
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| [fc3b67] | 133 | {
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 | 134 |   // set basis
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| [0d4424] | 135 |   MatrixContent *dest = NULL;
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| [fc3b67] | 136 |   for (int i=0;i<4;i++) {
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| [0d4424] | 137 |     m->setValue(i);
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 | 138 |     dest = new MatrixContent(m);
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| [fc3b67] | 139 |     for (int j=0;j<3;j++)
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| [0d4424] | 140 |       CPPUNIT_ASSERT_EQUAL( m->at(i,j) , dest->at(i,j) );
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| [fc3b67] | 141 | 
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 | 142 |     delete(dest);
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 | 143 |   }
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 | 144 | };
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 | 145 | 
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 | 146 | /** Unit Test for exchanging rows and columns.
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 | 147 |  *
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 | 148 |  */
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| [0d4424] | 149 | void MatrixContentTest::ExchangeTest()
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| [fc3b67] | 150 | {
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 | 151 |   // set to 1,1,1,2, ...
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 | 152 |   for (int i=0;i<4;i++)
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 | 153 |     for (int j=0;j<3;j++)
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| [0d4424] | 154 |       m->set(i,j, i+1 );
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| [fc3b67] | 155 | 
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 | 156 |   // swap such that nothing happens
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 | 157 |   CPPUNIT_ASSERT_EQUAL( true, m->SwapColumns(1,2) );
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 | 158 |   for (int i=0;i<4;i++)
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 | 159 |     for (int j=0;j<3;j++)
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| [0d4424] | 160 |       CPPUNIT_ASSERT_EQUAL( (double)i+1., m->at(i,j) );
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| [fc3b67] | 161 | 
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 | 162 |   // swap two rows
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 | 163 |   CPPUNIT_ASSERT_EQUAL( true, m->SwapRows(1,2) );
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 | 164 |   for (int i=0;i<4;i++)
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 | 165 |     for (int j=0;j<3;j++)
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 | 166 |       switch (i) {
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 | 167 |         case 0:
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| [0d4424] | 168 |           CPPUNIT_ASSERT_EQUAL( 1., m->at(i,j) );
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| [fc3b67] | 169 |           break;
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 | 170 |         case 1:
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| [0d4424] | 171 |           CPPUNIT_ASSERT_EQUAL( 3., m->at(i,j) );
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| [fc3b67] | 172 |           break;
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 | 173 |         case 2:
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| [0d4424] | 174 |           CPPUNIT_ASSERT_EQUAL( 2., m->at(i,j) );
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| [fc3b67] | 175 |           break;
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 | 176 |         case 3:
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| [0d4424] | 177 |           CPPUNIT_ASSERT_EQUAL( 4., m->at(i,j) );
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| [fc3b67] | 178 |           break;
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 | 179 |         default:
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| [0d4424] | 180 |           CPPUNIT_ASSERT_EQUAL( -1., m->at(i,j) );
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| [fc3b67] | 181 |       }
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 | 182 |   // check that op is reversable
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 | 183 |   CPPUNIT_ASSERT_EQUAL( true, m->SwapRows(1,2) );
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 | 184 |   for (int i=0;i<4;i++)
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 | 185 |     for (int j=0;j<3;j++)
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| [0d4424] | 186 |       CPPUNIT_ASSERT_EQUAL( (double)i+1., m->at(i,j) );
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| [fc3b67] | 187 | 
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 | 188 |   // set to 1,2,3,1, ...
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 | 189 |   for (int i=0;i<4;i++)
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 | 190 |     for (int j=0;j<3;j++)
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| [0d4424] | 191 |       m->set(i,j, j+1. );
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| [fc3b67] | 192 | 
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 | 193 |   // swap such that nothing happens
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 | 194 |   CPPUNIT_ASSERT_EQUAL( true, m->SwapRows(0,2) );
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 | 195 |   for (int i=0;i<4;i++)
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 | 196 |     for (int j=0;j<3;j++)
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| [0d4424] | 197 |       CPPUNIT_ASSERT_EQUAL( (double)j+1., m->at(i,j) );
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| [fc3b67] | 198 | 
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 | 199 |   // swap two columns
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 | 200 |   CPPUNIT_ASSERT_EQUAL( true, m->SwapColumns(0,2) );
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 | 201 |   for (int i=0;i<4;i++)
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 | 202 |     for (int j=0;j<3;j++)
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 | 203 |       switch (j) {
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 | 204 |         case 0:
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| [0d4424] | 205 |           CPPUNIT_ASSERT_EQUAL( 3., m->at(i,j) );
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| [fc3b67] | 206 |           break;
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 | 207 |         case 1:
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| [0d4424] | 208 |           CPPUNIT_ASSERT_EQUAL( 2., m->at(i,j) );
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| [fc3b67] | 209 |           break;
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 | 210 |         case 2:
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| [0d4424] | 211 |           CPPUNIT_ASSERT_EQUAL( 1., m->at(i,j) );
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| [fc3b67] | 212 |           break;
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 | 213 |         default:
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| [0d4424] | 214 |           CPPUNIT_ASSERT_EQUAL( -1., m->at(i,j) );
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| [fc3b67] | 215 |       }
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 | 216 |   // check that op is reversable
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 | 217 |   CPPUNIT_ASSERT_EQUAL( true, m->SwapColumns(0,2) );
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 | 218 |   for (int i=0;i<4;i++)
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 | 219 |     for (int j=0;j<3;j++)
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| [0d4424] | 220 |       CPPUNIT_ASSERT_EQUAL( (double)j+1., m->at(i,j) );
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| [fc3b67] | 221 | 
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 | 222 | 
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 | 223 |   // set to 1,2,3,4, ...
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| [0d4424] | 224 |   MatrixContent *n =  new MatrixContent(3,4);
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| [fc3b67] | 225 |   for (int i=0;i<4;i++)
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| [0d4424] | 226 |     for (int j=0;j<3;j++) {
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 | 227 |       m->set(i,j, 3*i+j+1 );
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 | 228 |       n->set(j,i, 3*i+j+1 );
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 | 229 |     }
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| [fc3b67] | 230 |   // transpose
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| [0d4424] | 231 |   MatrixContent res = ((const MatrixContent)(*m)).transpose();
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 | 232 |   CPPUNIT_ASSERT( *n == res );
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| [fc3b67] | 233 |   // second transpose
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| [0d4424] | 234 |   MatrixContent res2 = ((const MatrixContent)res).transpose();
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 | 235 |   CPPUNIT_ASSERT( *m == res2 );
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| [bbf1bd] | 236 |   delete n;
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| [fc3b67] | 237 | };
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 | 238 | 
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 | 239 | /** Unit Test for matrix properties.
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 | 240 |  *
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 | 241 |  */
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| [0d4424] | 242 | void MatrixContentTest::PropertiesTest()
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| [fc3b67] | 243 | {
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 | 244 |   // is zero
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| [0d4424] | 245 |   m->setZero();
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| [fc3b67] | 246 |   CPPUNIT_ASSERT_EQUAL( true, m->IsNull() );
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 | 247 |   CPPUNIT_ASSERT_EQUAL( false, m->IsPositive() );
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 | 248 |   CPPUNIT_ASSERT_EQUAL( false, m->IsNegative() );
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 | 249 |   CPPUNIT_ASSERT_EQUAL( true, m->IsNonNegative() );
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 | 250 | 
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 | 251 |   // is positive
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| [0d4424] | 252 |   m->setValue(0.5);
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| [fc3b67] | 253 |   CPPUNIT_ASSERT_EQUAL( false, m->IsNull() );
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 | 254 |   CPPUNIT_ASSERT_EQUAL( true, m->IsPositive() );
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 | 255 |   CPPUNIT_ASSERT_EQUAL( false, m->IsNegative() );
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 | 256 |   CPPUNIT_ASSERT_EQUAL( true, m->IsNonNegative() );
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 | 257 | 
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 | 258 |   // is negative
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| [0d4424] | 259 |   m->setValue(-0.1);
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| [fc3b67] | 260 |   CPPUNIT_ASSERT_EQUAL( false, m->IsNull() );
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 | 261 |   CPPUNIT_ASSERT_EQUAL( false, m->IsPositive() );
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 | 262 |   CPPUNIT_ASSERT_EQUAL( true, m->IsNegative() );
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 | 263 |   CPPUNIT_ASSERT_EQUAL( false, m->IsNonNegative() );
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 | 264 | 
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 | 265 |   // is positive definite
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 | 266 |   CPPUNIT_ASSERT_EQUAL( false, m->IsPositiveDefinite() );
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 | 267 | };
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| [6f68d6] | 268 | 
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 | 269 | 
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 | 270 | /** Unit test for reading from and writing matrix to stream
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 | 271 |  *
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 | 272 |  */
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 | 273 | void MatrixContentTest::ReadWriteTest()
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 | 274 | {
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 | 275 |   // set up matrix
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 | 276 |   for (int i=0;i<4;i++)
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 | 277 |     for (int j=0;j<3;j++)
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 | 278 |       m->set(i,j, i*3+j );
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 | 279 | 
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 | 280 |   // write to stream
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 | 281 |   std::stringstream matrixstream;
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 | 282 |   m->write(matrixstream);
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 | 283 | 
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 | 284 |   // parse in dimensions and check
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 | 285 |   std::pair<size_t, size_t> matrixdimensions = MatrixContent::preparseMatrixDimensions(matrixstream);
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 | 286 |   CPPUNIT_ASSERT_EQUAL( (size_t)4, matrixdimensions.first );
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 | 287 |   CPPUNIT_ASSERT_EQUAL( (size_t)3, matrixdimensions.second );
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 | 288 |   // parse in matrix and check
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 | 289 |   MatrixContent* n = new MatrixContent(4,3, matrixstream);
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 | 290 |   CPPUNIT_ASSERT_EQUAL( *m, *n );
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 | 291 | 
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 | 292 |   // free matrix
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 | 293 |   delete n;
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 | 294 | }
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