| [bcf653] | 1 | /* | 
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|  | 2 | * Project: MoleCuilder | 
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|  | 3 | * Description: creates and alters molecular systems | 
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| [6d608d] | 4 | * Copyright (C)  2010-2012 University of Bonn. All rights reserved. | 
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| [94d5ac6] | 5 | * | 
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|  | 6 | * | 
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|  | 7 | *   This file is part of MoleCuilder. | 
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|  | 8 | * | 
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|  | 9 | *    MoleCuilder is free software: you can redistribute it and/or modify | 
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|  | 10 | *    it under the terms of the GNU General Public License as published by | 
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|  | 11 | *    the Free Software Foundation, either version 2 of the License, or | 
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|  | 12 | *    (at your option) any later version. | 
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|  | 13 | * | 
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|  | 14 | *    MoleCuilder is distributed in the hope that it will be useful, | 
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|  | 15 | *    but WITHOUT ANY WARRANTY; without even the implied warranty of | 
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|  | 16 | *    MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE.  See the | 
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|  | 17 | *    GNU General Public License for more details. | 
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|  | 18 | * | 
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|  | 19 | *    You should have received a copy of the GNU General Public License | 
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|  | 20 | *    along with MoleCuilder.  If not, see <http://www.gnu.org/licenses/>. | 
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| [bcf653] | 21 | */ | 
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|  | 22 |  | 
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| [9fb860] | 23 | /* | 
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| [bbf1bd] | 24 | * VectorContentUnittest.cpp | 
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| [9fb860] | 25 | * | 
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|  | 26 | *  Created on: Jan 8, 2010 | 
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|  | 27 | *      Author: heber | 
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|  | 28 | */ | 
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|  | 29 |  | 
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| [bf3817] | 30 | // include config.h | 
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|  | 31 | #ifdef HAVE_CONFIG_H | 
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|  | 32 | #include <config.h> | 
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|  | 33 | #endif | 
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|  | 34 |  | 
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| [9fb860] | 35 | using namespace std; | 
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|  | 36 |  | 
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|  | 37 | #include <cppunit/CompilerOutputter.h> | 
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|  | 38 | #include <cppunit/extensions/TestFactoryRegistry.h> | 
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|  | 39 | #include <cppunit/ui/text/TestRunner.h> | 
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|  | 40 |  | 
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| [29cbe9] | 41 | // include headers that implement a archive in simple text format | 
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|  | 42 | #include <boost/archive/text_oarchive.hpp> | 
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|  | 43 | #include <boost/archive/text_iarchive.hpp> | 
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|  | 44 |  | 
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| [dfafe7] | 45 | #include "VectorContentUnitTest.hpp" | 
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| [9fb860] | 46 |  | 
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| [9b6b2f] | 47 | #ifdef HAVE_TESTRUNNER | 
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|  | 48 | #include "UnitTestMain.hpp" | 
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|  | 49 | #endif /*HAVE_TESTRUNNER*/ | 
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|  | 50 |  | 
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| [9fb860] | 51 | /********************************************** Test classes **************************************/ | 
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|  | 52 |  | 
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|  | 53 | // Registers the fixture into the 'registry' | 
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| [bbf1bd] | 54 | CPPUNIT_TEST_SUITE_REGISTRATION( VectorContentTest ); | 
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| [9fb860] | 55 |  | 
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|  | 56 |  | 
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| [bbf1bd] | 57 | void VectorContentTest::setUp() | 
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| [9fb860] | 58 | { | 
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| [bbf1bd] | 59 | v = new VectorContent(3); | 
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| [9fb860] | 60 | }; | 
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|  | 61 |  | 
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| [bbf1bd] | 62 | void VectorContentTest::tearDown() | 
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| [9fb860] | 63 | { | 
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|  | 64 | delete(v); | 
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|  | 65 | }; | 
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|  | 66 |  | 
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|  | 67 | /** Unit test for accessing elements in the vector. | 
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|  | 68 | * | 
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|  | 69 | */ | 
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| [bbf1bd] | 70 | void VectorContentTest::AccessTest() | 
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| [9fb860] | 71 | { | 
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|  | 72 | // set | 
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|  | 73 | for (int i=0;i<3;i++) | 
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| [bbf1bd] | 74 | v->at(i) = (double)i; | 
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| [9fb860] | 75 |  | 
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|  | 76 | // and check | 
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|  | 77 | double *ptr = NULL; | 
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|  | 78 | for (int i=0;i<3;i++) { | 
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| [bbf1bd] | 79 | CPPUNIT_ASSERT_EQUAL( (double)i, v->at(i) ); | 
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| [9fb860] | 80 | ptr = v->Pointer(i); | 
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|  | 81 | CPPUNIT_ASSERT_EQUAL( (double)i, *ptr ); | 
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|  | 82 | } | 
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|  | 83 |  | 
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|  | 84 | // out of bounds | 
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| [bbf1bd] | 85 | //CPPUNIT_ASSERT_EQUAL(0., v->at(3) ); | 
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|  | 86 | //CPPUNIT_ASSERT_EQUAL(0., v->at(-1) ); | 
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| [9fb860] | 87 | }; | 
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|  | 88 |  | 
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|  | 89 |  | 
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|  | 90 | /** Unit test for initializing the vector. | 
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|  | 91 | * | 
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|  | 92 | */ | 
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| [bbf1bd] | 93 | void VectorContentTest::InitializaionTest() | 
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| [9fb860] | 94 | { | 
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|  | 95 | // set zero | 
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| [bbf1bd] | 96 | v->setZero(); | 
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| [9fb860] | 97 | for (int i=0;i<3;i++) | 
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| [bbf1bd] | 98 | CPPUNIT_ASSERT_EQUAL( 0., v->at(i) ); | 
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| [9fb860] | 99 |  | 
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|  | 100 | // set basis | 
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|  | 101 | for (int i=0;i<3;i++) { | 
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| [bbf1bd] | 102 | v->setBasis(i); | 
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| [9fb860] | 103 | for (int j=0;j<3;j++) | 
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| [bbf1bd] | 104 | CPPUNIT_ASSERT_EQUAL( i == j ? 1. : 0. , v->at(j) ); | 
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| [9fb860] | 105 | } | 
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|  | 106 |  | 
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|  | 107 | // set all | 
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| [bbf1bd] | 108 | v->setValue(1.5); | 
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| [9fb860] | 109 | for (int i=0;i<3;i++) | 
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| [bbf1bd] | 110 | CPPUNIT_ASSERT_EQUAL( 1.5, v->at(i) ); | 
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| [9fb860] | 111 | }; | 
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|  | 112 |  | 
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|  | 113 | /** Unit test for copying vectors. | 
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|  | 114 | * | 
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|  | 115 | */ | 
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| [bbf1bd] | 116 | void VectorContentTest::CopyTest() | 
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| [9fb860] | 117 | { | 
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|  | 118 | // set basis | 
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| [bbf1bd] | 119 | VectorContent *dest = NULL; | 
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| [9fb860] | 120 | for (int i=0;i<3;i++) { | 
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| [bbf1bd] | 121 | v->setBasis(i); | 
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|  | 122 | dest = new VectorContent(v); | 
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| [9fb860] | 123 | for (int j=0;j<3;j++) | 
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| [bbf1bd] | 124 | CPPUNIT_ASSERT_EQUAL( v->at(j) , dest->at(j) ); | 
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| [9fb860] | 125 |  | 
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|  | 126 | delete(dest); | 
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|  | 127 | } | 
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|  | 128 | }; | 
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|  | 129 |  | 
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|  | 130 | /** Unit test for exchanging elements of a vector. | 
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|  | 131 | * | 
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|  | 132 | */ | 
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| [bbf1bd] | 133 | void VectorContentTest::ExchangeTest() | 
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| [9fb860] | 134 | { | 
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|  | 135 | // set basis | 
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|  | 136 | for (int i=0;i<3;i++) { | 
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| [bbf1bd] | 137 | v->setBasis(i); | 
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| [9fb860] | 138 | v->SwapElements((i)%3,(i+1)%3); | 
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|  | 139 | for (int j=0;j<3;j++) | 
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| [bbf1bd] | 140 | CPPUNIT_ASSERT_EQUAL( (i+1)%3 == j ? 1. : 0. , v->at(j) ); | 
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| [9fb860] | 141 | } | 
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|  | 142 |  | 
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|  | 143 | // set to 1,2,3 and reverse | 
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|  | 144 | for (int i=0;i<3;i++) | 
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| [bbf1bd] | 145 | v->at(i) = (double)(i+1); | 
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| [9fb860] | 146 | v->Reverse(); | 
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|  | 147 | for (int j=0;j<3;j++) | 
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| [bbf1bd] | 148 | CPPUNIT_ASSERT_EQUAL( (double)(3-j), v->at(j) ); | 
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| [9fb860] | 149 | }; | 
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|  | 150 |  | 
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| [b11d3b] | 151 | /** UnitTest for operators. | 
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|  | 152 | */ | 
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| [bbf1bd] | 153 | void VectorContentTest::OperatorIsTest() | 
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| [b11d3b] | 154 | { | 
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| [bbf1bd] | 155 | VectorContent zero(3); | 
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|  | 156 | VectorContent unit(3); | 
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|  | 157 | zero.setZero(); | 
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|  | 158 | unit.setZero(); | 
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|  | 159 | unit[1] = 1.; | 
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| [b11d3b] | 160 | // summation and scaling | 
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|  | 161 | CPPUNIT_ASSERT_EQUAL( true, unit.IsOne() ); | 
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|  | 162 | CPPUNIT_ASSERT_EQUAL( false, zero.IsOne() ); | 
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|  | 163 | CPPUNIT_ASSERT_EQUAL( false, unit.IsZero() ); | 
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|  | 164 | CPPUNIT_ASSERT_EQUAL( true, zero.IsZero() ); | 
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|  | 165 | }; | 
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|  | 166 |  | 
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|  | 167 | /** UnitTest for operators. | 
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|  | 168 | */ | 
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| [bbf1bd] | 169 | void VectorContentTest::OperatorAlgebraTest() | 
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| [b11d3b] | 170 | { | 
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| [bbf1bd] | 171 | VectorContent zero(3); | 
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|  | 172 | VectorContent unit(3); | 
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|  | 173 | zero.setZero(); | 
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|  | 174 | unit.setZero(); | 
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|  | 175 | unit[1] = 1.; | 
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| [b11d3b] | 176 | // summation and scaling | 
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|  | 177 | CPPUNIT_ASSERT_EQUAL( true, (zero+unit).IsOne() ); | 
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|  | 178 | CPPUNIT_ASSERT_EQUAL( true, (zero+unit).IsOne() ); | 
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|  | 179 | CPPUNIT_ASSERT_EQUAL( true, (zero-unit).IsOne() ); | 
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|  | 180 | CPPUNIT_ASSERT_EQUAL( false, (zero-unit).IsZero() ); | 
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|  | 181 | CPPUNIT_ASSERT_EQUAL( true, (zero+zero).IsZero() ); | 
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|  | 182 | CPPUNIT_ASSERT_EQUAL( false, (unit*0.98).IsOne() ); | 
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|  | 183 | CPPUNIT_ASSERT_EQUAL( false, (0.98*unit).IsOne() ); | 
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|  | 184 | CPPUNIT_ASSERT_EQUAL( true, (unit*1.).IsOne() ); | 
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|  | 185 | CPPUNIT_ASSERT_EQUAL( true, (1.*unit).IsOne() ); | 
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|  | 186 |  | 
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|  | 187 | CPPUNIT_ASSERT_EQUAL( unit, (zero+unit) ); | 
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|  | 188 | CPPUNIT_ASSERT_EQUAL( zero, (zero+zero) ); | 
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|  | 189 | CPPUNIT_ASSERT_EQUAL( unit, (unit+zero) ); | 
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|  | 190 |  | 
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|  | 191 | unit += zero; | 
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|  | 192 | CPPUNIT_ASSERT_EQUAL( true, unit.IsOne() ); | 
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|  | 193 | unit *= 1.; | 
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|  | 194 | CPPUNIT_ASSERT_EQUAL( true, unit.IsOne() ); | 
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|  | 195 | }; | 
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| [e420f9] | 196 |  | 
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|  | 197 | /** Unit test for reading from and writing vector to stream | 
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|  | 198 | * | 
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|  | 199 | */ | 
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|  | 200 | void VectorContentTest::ReadWriteTest() | 
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|  | 201 | { | 
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|  | 202 | // set up matrix | 
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|  | 203 | VectorContent v((size_t)3); | 
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|  | 204 | for (size_t i=0; i<3;++i) | 
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|  | 205 | v.at(i) = i+1.; | 
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|  | 206 |  | 
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|  | 207 | // write to stream | 
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|  | 208 | std::stringstream vectorstream; | 
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|  | 209 | v.write(vectorstream); | 
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|  | 210 |  | 
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|  | 211 | // parse in dimensions and check | 
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|  | 212 | size_t vectordimension = VectorContent::preparseVectorDimensions(vectorstream); | 
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|  | 213 | CPPUNIT_ASSERT_EQUAL( (size_t)3, vectordimension ); | 
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|  | 214 | // parse in vector and check | 
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|  | 215 | VectorContent w(3, vectorstream); | 
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|  | 216 | CPPUNIT_ASSERT_EQUAL( v, w ); | 
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|  | 217 | } | 
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| [29cbe9] | 218 |  | 
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|  | 219 | /** UnitTest for serialization. | 
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|  | 220 | */ | 
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|  | 221 | void VectorContentTest::SerializationTest() | 
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|  | 222 | { | 
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|  | 223 | v->setZero(); | 
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|  | 224 | (*v)[0] = 0.; | 
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|  | 225 | (*v)[1] = 1.; | 
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|  | 226 | (*v)[2] = 2.; | 
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|  | 227 | // write element to stream | 
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|  | 228 | std::stringstream stream; | 
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|  | 229 | boost::archive::text_oarchive oa(stream); | 
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|  | 230 | oa << v; | 
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|  | 231 |  | 
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|  | 232 | //std::cout << "Contents of archive is " << stream.str() << std::endl; | 
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|  | 233 |  | 
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|  | 234 | // create and open an archive for input | 
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|  | 235 | boost::archive::text_iarchive ia(stream); | 
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|  | 236 | // read class state from archive | 
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|  | 237 | VectorContent *newv; | 
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|  | 238 |  | 
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|  | 239 | ia >> newv; | 
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|  | 240 |  | 
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|  | 241 | CPPUNIT_ASSERT (*v == *newv); | 
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|  | 242 | } | 
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