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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8 | /*
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9 | * unittest.cpp
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10 | *
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11 | * Created on: Aug 17, 2009
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12 | * Author: heber
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13 | */
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14 |
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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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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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26 | #include <limits>
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27 |
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28 | #include "CodePatterns/Log.hpp"
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29 | #include "LinearAlgebra/defs.hpp"
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30 | #include "LinearAlgebra/Plane.hpp"
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31 | #include "LinearAlgebra/RealSpaceMatrix.hpp"
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32 | #include "LinearAlgebra/Vector.hpp"
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33 | #include "LinearAlgebra/vector_ops.hpp"
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34 |
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35 | #include "VectorUnitTest.hpp"
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36 |
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37 | #ifdef HAVE_TESTRUNNER
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38 | #include "UnitTestMain.hpp"
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39 | #endif /*HAVE_TESTRUNNER*/
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40 |
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41 | #include <iostream>
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42 |
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43 | /********************************************** Test classes **************************************/
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44 |
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45 | // Registers the fixture into the 'registry'
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46 | CPPUNIT_TEST_SUITE_REGISTRATION( VectorTest );
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47 |
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48 |
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49 | void VectorTest::setUp()
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50 | {
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51 | zero = Vector(0.,0.,0.);
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52 | unit = Vector(1.,0.,0.);
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53 | otherunit = Vector(0.,1.,0.);
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54 | notunit = Vector(0.,1.,1.);
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55 | two = Vector(2.,1.,0.);
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56 | three = Vector(1,2,3);
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57 | };
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58 |
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59 |
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60 | void VectorTest::tearDown()
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61 | {
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62 | logger::purgeInstance();
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63 | errorLogger::purgeInstance();
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64 | };
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65 |
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66 | /** UnitTest for Constructors and Vector::IsZero() and Vector::IsOne().
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67 | */
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68 | void VectorTest::AssignmentTest()
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69 | {
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70 | // test with zero
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71 | zero.at(0) = 0;
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72 | zero.at(1) = 0;
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73 | zero.at(2) = 0;
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74 | double zero_array[3] = {0., 0., 0.};
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75 |
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76 | CPPUNIT_ASSERT_EQUAL( zero, Vector(0,0,0));
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77 | CPPUNIT_ASSERT_EQUAL( zero, Vector(0.,0.,0.));
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78 | CPPUNIT_ASSERT_EQUAL( zero, Vector(zero_array[0], zero_array[1], zero_array[2]));
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79 | CPPUNIT_ASSERT_EQUAL( zero, Vector(zero_array));
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80 |
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81 | // test with unit
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82 | unit.at(0) = 1;
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83 | unit.at(1) = 0;
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84 | unit.at(2) = 0;
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85 | double unit_array[3] = {1., 0., 0.};
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86 |
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87 | CPPUNIT_ASSERT_EQUAL( unit, Vector(1,0,0));
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88 | CPPUNIT_ASSERT_EQUAL( unit, Vector(1.,0.,0.));
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89 | CPPUNIT_ASSERT_EQUAL( unit, Vector(unit_array[0], unit_array[1], unit_array[2]));
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90 | CPPUNIT_ASSERT_EQUAL( unit, Vector(unit_array));
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91 |
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92 | // test with two
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93 | two.at(0) = 2;
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94 | two.at(1) = 1;
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95 | two.at(2) = 0;
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96 | double two_array[3] = {2., 1., 0.};
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97 |
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98 | CPPUNIT_ASSERT_EQUAL( two, Vector(2,1,0));
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99 | CPPUNIT_ASSERT_EQUAL( two, Vector(2.,1.,0.));
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100 | CPPUNIT_ASSERT_EQUAL( two, Vector(two_array[0], two_array[1], two_array[2]));
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101 | CPPUNIT_ASSERT_EQUAL( two, Vector(two_array));
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102 |
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103 | // test with three
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104 | three.at(0) = 1;
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105 | three.at(1) = 2;
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106 | three.at(2) = 3;
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107 | double three_array[3] = {1., 2., 3.};
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108 |
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109 | CPPUNIT_ASSERT_EQUAL( three, Vector(1,2,3));
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110 | CPPUNIT_ASSERT_EQUAL( three, Vector(1.,2.,3.));
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111 | CPPUNIT_ASSERT_EQUAL( three, Vector(three_array[0], three_array[1], three_array[2]));
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112 | CPPUNIT_ASSERT_EQUAL( three, Vector(three_array));
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113 | }
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114 |
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115 | /** UnitTest for Constructors and Vector::IsZero() and Vector::IsOne().
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116 | */
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117 | void VectorTest::UnityTest()
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118 | {
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119 | // unity and zero tests
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120 | CPPUNIT_ASSERT_EQUAL( true, zero.IsZero() );
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121 | CPPUNIT_ASSERT_EQUAL( false, zero.IsOne() );
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122 | CPPUNIT_ASSERT_EQUAL( false, unit.IsZero() );
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123 | CPPUNIT_ASSERT_EQUAL( true, unit.IsOne() );
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124 | CPPUNIT_ASSERT_EQUAL( false, notunit.IsOne() );
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125 | CPPUNIT_ASSERT_EQUAL( true, otherunit.IsOne() );
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126 | CPPUNIT_ASSERT_EQUAL( false, otherunit.IsZero() );
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127 | };
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128 |
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129 | /** UnitTest for Vector::CopyVector(), Vector::AddVector, Vector::SubtractVector() and Vector::Scale()/
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130 | */
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131 | void VectorTest::SimpleAlgebraTest()
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132 | {
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133 | double factor;
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134 | // copy vector
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135 | fixture = Vector(2.,3.,4.);
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136 | CPPUNIT_ASSERT_EQUAL( Vector(2.,3.,4.), fixture );
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137 | // summation and scaling
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138 | fixture = zero + unit;
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139 | CPPUNIT_ASSERT_EQUAL( true, fixture.IsOne() );
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140 | fixture = zero - unit;
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141 | CPPUNIT_ASSERT_EQUAL( true, fixture.IsOne() );
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142 | CPPUNIT_ASSERT_EQUAL( false, fixture.IsZero() );
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143 | fixture = zero + zero;
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144 | CPPUNIT_ASSERT_EQUAL( true, fixture.IsZero() );
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145 | fixture = notunit - otherunit;
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146 | CPPUNIT_ASSERT_EQUAL( true, fixture.IsOne() );
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147 | fixture = unit - otherunit;
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148 | CPPUNIT_ASSERT_EQUAL( false, fixture.IsOne() );
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149 | fixture = notunit - unit - otherunit;
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150 | CPPUNIT_ASSERT_EQUAL( false, fixture.IsZero() );
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151 | fixture = 0.98 * unit;
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152 | CPPUNIT_ASSERT_EQUAL( false, fixture.IsOne() );
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153 | fixture = 1. * unit;
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154 | CPPUNIT_ASSERT_EQUAL( true, fixture.IsOne() );
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155 | factor = 0.98;
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156 | fixture = factor * unit;
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157 | CPPUNIT_ASSERT_EQUAL( false, fixture.IsOne() );
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158 | factor = 1.;
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159 | fixture = factor * unit;
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160 | CPPUNIT_ASSERT_EQUAL( true, fixture.IsOne() );
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161 | };
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162 |
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163 |
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164 | /** UnitTest for operator versions of Vector::CopyVector(), Vector::AddVector, Vector::SubtractVector() and Vector::Scale().
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165 | */
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166 | void VectorTest::OperatorAlgebraTest()
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167 | {
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168 | // summation and scaling
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169 | CPPUNIT_ASSERT_EQUAL( true, (zero+unit).IsOne() );
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170 | CPPUNIT_ASSERT_EQUAL( true, (zero+unit).IsOne() );
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171 | CPPUNIT_ASSERT_EQUAL( true, (zero-unit).IsOne() );
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172 | CPPUNIT_ASSERT_EQUAL( false, (zero-unit).IsZero() );
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173 | CPPUNIT_ASSERT_EQUAL( true, (zero+zero).IsZero() );
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174 | CPPUNIT_ASSERT_EQUAL( true, (notunit-otherunit).IsOne() );
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175 | CPPUNIT_ASSERT_EQUAL( false, (unit+otherunit).IsOne() );
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176 | CPPUNIT_ASSERT_EQUAL( false, (notunit-unit-otherunit).IsZero() );
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177 | CPPUNIT_ASSERT_EQUAL( false, (unit*0.98).IsOne() );
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178 | CPPUNIT_ASSERT_EQUAL( true, (unit*1.).IsOne() );
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179 |
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180 | CPPUNIT_ASSERT_EQUAL( unit, (zero+unit) );
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181 | CPPUNIT_ASSERT_EQUAL( Vector(0.,0.,1.), (notunit-otherunit) );
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182 | CPPUNIT_ASSERT_EQUAL( Vector(-1, 0., 1.), (notunit-unit-otherunit) );
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183 | };
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184 |
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185 | /** UnitTest for scalar products.
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186 | */
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187 | void VectorTest::EuclidianScalarProductTest()
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188 | {
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189 | CPPUNIT_ASSERT_EQUAL( 0., zero.ScalarProduct(zero) );
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190 | CPPUNIT_ASSERT_EQUAL( 0., zero.ScalarProduct(unit) );
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191 | CPPUNIT_ASSERT_EQUAL( 0., zero.ScalarProduct(otherunit) );
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192 | CPPUNIT_ASSERT_EQUAL( 0., zero.ScalarProduct(notunit) );
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193 | CPPUNIT_ASSERT_EQUAL( 1., unit.ScalarProduct(unit) );
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194 | CPPUNIT_ASSERT_EQUAL( 0., otherunit.ScalarProduct(unit) );
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195 | CPPUNIT_ASSERT_EQUAL( 0., otherunit.ScalarProduct(unit) );
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196 | CPPUNIT_ASSERT_EQUAL( 1., otherunit.ScalarProduct(notunit) );
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197 | CPPUNIT_ASSERT_EQUAL( 2., two.ScalarProduct(unit) );
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198 | CPPUNIT_ASSERT_EQUAL( 1., two.ScalarProduct(otherunit) );
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199 | CPPUNIT_ASSERT_EQUAL( 1., two.ScalarProduct(notunit) );
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200 | }
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201 |
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202 | /** UnitTest for norms.
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203 | */
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204 | void VectorTest::EuclidianNormTest()
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205 | {
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206 | CPPUNIT_ASSERT_EQUAL( 0., zero.Norm() );
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207 | CPPUNIT_ASSERT_EQUAL( 0., zero.NormSquared() );
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208 | CPPUNIT_ASSERT_EQUAL( 1., unit.Norm() );
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209 | CPPUNIT_ASSERT_EQUAL( 1., unit.NormSquared() );
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210 | CPPUNIT_ASSERT_EQUAL( 1., otherunit.Norm() );
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211 | CPPUNIT_ASSERT_EQUAL( 1., otherunit.NormSquared() );
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212 | CPPUNIT_ASSERT_EQUAL( 2., notunit.NormSquared() );
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213 | CPPUNIT_ASSERT_EQUAL( sqrt(2.), notunit.Norm() );
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214 | }
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215 |
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216 | /** UnitTest for distances.
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217 | */
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218 | void VectorTest::EuclidianDistancesTest()
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219 | {
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220 | CPPUNIT_ASSERT_EQUAL( 1., zero.distance(unit) );
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221 | CPPUNIT_ASSERT_EQUAL( sqrt(2.), otherunit.distance(unit) );
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222 | CPPUNIT_ASSERT_EQUAL( sqrt(2.), zero.distance(notunit) );
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223 | CPPUNIT_ASSERT_EQUAL( 1., otherunit.distance(notunit) );
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224 | CPPUNIT_ASSERT_EQUAL( sqrt(5.), two.distance(notunit) );
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225 | }
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226 |
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227 | /** UnitTest for angles.
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228 | */
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229 | void VectorTest::EuclidianAnglesTest()
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230 | {
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231 | CPPUNIT_ASSERT_EQUAL( M_PI, zero.Angle(unit) );
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232 | CPPUNIT_ASSERT_EQUAL( 0., unit.Angle(unit) );
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233 | CPPUNIT_ASSERT_EQUAL( true, fabs(M_PI/2. - otherunit.Angle(unit)) <= LINALG_MYEPSILON() );
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234 | CPPUNIT_ASSERT_EQUAL( true, fabs(M_PI/2. - unit.Angle(notunit)) <= LINALG_MYEPSILON() );
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235 | CPPUNIT_ASSERT_EQUAL( true, fabs(M_PI/4. - otherunit.Angle(notunit)) <= LINALG_MYEPSILON() );
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236 | };
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237 |
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238 | /** UnitTest for projections.
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239 | */
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240 | void VectorTest::ProjectionTest()
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241 | {
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242 | CPPUNIT_ASSERT_EQUAL( zero, zero.Projection(unit) );
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243 | CPPUNIT_ASSERT_EQUAL( zero, otherunit.Projection(unit) );
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244 | CPPUNIT_ASSERT_EQUAL( Vector(0.4,0.2,0.), otherunit.Projection(two) );
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245 | CPPUNIT_ASSERT_EQUAL( Vector(0.,1.,0.), two.Projection(otherunit) );
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246 | };
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247 |
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248 | /**
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249 | * Unittest for operation with normals
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250 | */
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251 | void VectorTest::NormalsTest(){
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252 | Vector testVector;
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253 | // the zero Vector should produce an error
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254 | CPPUNIT_ASSERT(!testVector.GetOneNormalVector(zero));
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255 |
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256 | // first one-component system
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257 | CPPUNIT_ASSERT(testVector.GetOneNormalVector(unit));
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258 | CPPUNIT_ASSERT(testVector.ScalarProduct(unit) <= LINALG_MYEPSILON());
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259 |
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260 | // second one-component system
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261 | CPPUNIT_ASSERT(testVector.GetOneNormalVector(otherunit));
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262 | CPPUNIT_ASSERT(testVector.ScalarProduct(otherunit) <= LINALG_MYEPSILON());
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263 |
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264 | // first two-component system
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265 | CPPUNIT_ASSERT(testVector.GetOneNormalVector(notunit));
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266 | CPPUNIT_ASSERT(testVector.ScalarProduct(notunit) <= LINALG_MYEPSILON());
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267 |
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268 | // second two-component system
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269 | CPPUNIT_ASSERT(testVector.GetOneNormalVector(two));
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270 | CPPUNIT_ASSERT(testVector.ScalarProduct(two) <= LINALG_MYEPSILON());
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271 |
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272 | // three component system
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273 | CPPUNIT_ASSERT(testVector.GetOneNormalVector(three));
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274 | CPPUNIT_ASSERT(testVector.ScalarProduct(three) <= LINALG_MYEPSILON());
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275 | }
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