[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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[54a746] | 8 | /*
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[e23075] | 9 | * VectorUnitTest.cpp
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[54a746] | 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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[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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[54a746] | 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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[9b410d] | 26 | #include <limits>
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| 27 |
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[ad011c] | 28 | #include "CodePatterns/Log.hpp"
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[bf4b9f] | 29 | #include "defs.hpp"
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| 30 | #include "Plane.hpp"
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| 31 | #include "RealSpaceMatrix.hpp"
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| 32 | #include "Vector.hpp"
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| 33 | #include "vector_ops.hpp"
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[54a746] | 34 |
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[dfafe7] | 35 | #include "VectorUnitTest.hpp"
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| 36 |
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[9b6b2f] | 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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[1bd79e] | 41 | #include <iostream>
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| 42 |
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[54a746] | 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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[1bd79e] | 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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[1829c4] | 56 | three = Vector(1,2,3);
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[54a746] | 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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[e6fdbe] | 62 | logger::purgeInstance();
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| 63 | errorLogger::purgeInstance();
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[54a746] | 64 | };
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| 65 |
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[d74077] | 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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[54a746] | 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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[78b73c] | 134 | // copy vector
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[1bd79e] | 135 | fixture = Vector(2.,3.,4.);
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[78b73c] | 136 | CPPUNIT_ASSERT_EQUAL( Vector(2.,3.,4.), fixture );
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[54a746] | 137 | // summation and scaling
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[273382] | 138 | fixture = zero + unit;
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[78b73c] | 139 | CPPUNIT_ASSERT_EQUAL( true, fixture.IsOne() );
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[273382] | 140 | fixture = zero - unit;
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[78b73c] | 141 | CPPUNIT_ASSERT_EQUAL( true, fixture.IsOne() );
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| 142 | CPPUNIT_ASSERT_EQUAL( false, fixture.IsZero() );
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[273382] | 143 | fixture = zero + zero;
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[78b73c] | 144 | CPPUNIT_ASSERT_EQUAL( true, fixture.IsZero() );
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[273382] | 145 | fixture = notunit - otherunit;
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[78b73c] | 146 | CPPUNIT_ASSERT_EQUAL( true, fixture.IsOne() );
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[273382] | 147 | fixture = unit - otherunit;
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[78b73c] | 148 | CPPUNIT_ASSERT_EQUAL( false, fixture.IsOne() );
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[273382] | 149 | fixture = notunit - unit - otherunit;
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[78b73c] | 150 | CPPUNIT_ASSERT_EQUAL( false, fixture.IsZero() );
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[273382] | 151 | fixture = 0.98 * unit;
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[78b73c] | 152 | CPPUNIT_ASSERT_EQUAL( false, fixture.IsOne() );
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[273382] | 153 | fixture = 1. * unit;
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[78b73c] | 154 | CPPUNIT_ASSERT_EQUAL( true, fixture.IsOne() );
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[54a746] | 155 | factor = 0.98;
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[273382] | 156 | fixture = factor * unit;
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[78b73c] | 157 | CPPUNIT_ASSERT_EQUAL( false, fixture.IsOne() );
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[54a746] | 158 | factor = 1.;
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[273382] | 159 | fixture = factor * unit;
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[78b73c] | 160 | CPPUNIT_ASSERT_EQUAL( true, fixture.IsOne() );
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[54a746] | 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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[ef9df36] | 170 | CPPUNIT_ASSERT_EQUAL( true, (zero+unit).IsOne() );
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[54a746] | 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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[ef9df36] | 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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[54a746] | 183 | };
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| 184 |
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[ef9df36] | 185 | /** UnitTest for scalar products.
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[54a746] | 186 | */
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[ef9df36] | 187 | void VectorTest::EuclidianScalarProductTest()
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[54a746] | 188 | {
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[273382] | 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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[ef9df36] | 200 | }
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[54a746] | 201 |
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[ef9df36] | 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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[54a746] | 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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[ef9df36] | 214 | }
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[54a746] | 215 |
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[ef9df36] | 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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[1513a74] | 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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[e23075] | 225 |
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| 226 | // check operator
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| 227 | CPPUNIT_ASSERT( !(zero < zero) );
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| 228 | CPPUNIT_ASSERT( !(unit < otherunit) );
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| 229 | CPPUNIT_ASSERT( zero < unit );
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| 230 | CPPUNIT_ASSERT( unit < two );
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[ef9df36] | 231 | }
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[54a746] | 232 |
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[ef9df36] | 233 | /** UnitTest for angles.
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| 234 | */
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| 235 | void VectorTest::EuclidianAnglesTest()
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| 236 | {
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[273382] | 237 | CPPUNIT_ASSERT_EQUAL( M_PI, zero.Angle(unit) );
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| 238 | CPPUNIT_ASSERT_EQUAL( 0., unit.Angle(unit) );
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[71129f] | 239 | CPPUNIT_ASSERT_EQUAL( true, fabs(M_PI/2. - otherunit.Angle(unit)) <= LINALG_MYEPSILON() );
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| 240 | CPPUNIT_ASSERT_EQUAL( true, fabs(M_PI/2. - unit.Angle(notunit)) <= LINALG_MYEPSILON() );
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| 241 | CPPUNIT_ASSERT_EQUAL( true, fabs(M_PI/4. - otherunit.Angle(notunit)) <= LINALG_MYEPSILON() );
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[54a746] | 242 | };
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| 243 |
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[ef9df36] | 244 | /** UnitTest for projections.
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| 245 | */
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| 246 | void VectorTest::ProjectionTest()
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| 247 | {
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[273382] | 248 | CPPUNIT_ASSERT_EQUAL( zero, zero.Projection(unit) );
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| 249 | CPPUNIT_ASSERT_EQUAL( zero, otherunit.Projection(unit) );
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| 250 | CPPUNIT_ASSERT_EQUAL( Vector(0.4,0.2,0.), otherunit.Projection(two) );
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| 251 | CPPUNIT_ASSERT_EQUAL( Vector(0.,1.,0.), two.Projection(otherunit) );
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[ef9df36] | 252 | };
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| 253 |
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[1829c4] | 254 | /**
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| 255 | * Unittest for operation with normals
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| 256 | */
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| 257 | void VectorTest::NormalsTest(){
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| 258 | Vector testVector;
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| 259 | // the zero Vector should produce an error
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| 260 | CPPUNIT_ASSERT(!testVector.GetOneNormalVector(zero));
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| 261 |
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| 262 | // first one-component system
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| 263 | CPPUNIT_ASSERT(testVector.GetOneNormalVector(unit));
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[71129f] | 264 | CPPUNIT_ASSERT(testVector.ScalarProduct(unit) <= LINALG_MYEPSILON());
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[1829c4] | 265 |
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| 266 | // second one-component system
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| 267 | CPPUNIT_ASSERT(testVector.GetOneNormalVector(otherunit));
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[71129f] | 268 | CPPUNIT_ASSERT(testVector.ScalarProduct(otherunit) <= LINALG_MYEPSILON());
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[1829c4] | 269 |
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| 270 | // first two-component system
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| 271 | CPPUNIT_ASSERT(testVector.GetOneNormalVector(notunit));
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[71129f] | 272 | CPPUNIT_ASSERT(testVector.ScalarProduct(notunit) <= LINALG_MYEPSILON());
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[1829c4] | 273 |
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| 274 | // second two-component system
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| 275 | CPPUNIT_ASSERT(testVector.GetOneNormalVector(two));
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[71129f] | 276 | CPPUNIT_ASSERT(testVector.ScalarProduct(two) <= LINALG_MYEPSILON());
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[1829c4] | 277 |
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| 278 | // three component system
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| 279 | CPPUNIT_ASSERT(testVector.GetOneNormalVector(three));
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[71129f] | 280 | CPPUNIT_ASSERT(testVector.ScalarProduct(three) <= LINALG_MYEPSILON());
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[1829c4] | 281 | }
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