| [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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 | 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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| [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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| [ef9df36] | 225 | }
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| [54a746] | 226 | 
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| [ef9df36] | 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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| [273382] | 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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| [71129f] | 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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| [54a746] | 236 | };
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 | 237 | 
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| [ef9df36] | 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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| [273382] | 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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| [ef9df36] | 246 | };
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 | 247 | 
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| [1829c4] | 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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| [71129f] | 258 |   CPPUNIT_ASSERT(testVector.ScalarProduct(unit) <= LINALG_MYEPSILON());
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| [1829c4] | 259 | 
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 | 260 |   // second one-component system
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 | 261 |   CPPUNIT_ASSERT(testVector.GetOneNormalVector(otherunit));
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| [71129f] | 262 |   CPPUNIT_ASSERT(testVector.ScalarProduct(otherunit) <= LINALG_MYEPSILON());
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| [1829c4] | 263 | 
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 | 264 |   // first two-component system
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 | 265 |   CPPUNIT_ASSERT(testVector.GetOneNormalVector(notunit));
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| [71129f] | 266 |   CPPUNIT_ASSERT(testVector.ScalarProduct(notunit) <= LINALG_MYEPSILON());
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| [1829c4] | 267 | 
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 | 268 |   // second two-component system
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 | 269 |   CPPUNIT_ASSERT(testVector.GetOneNormalVector(two));
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| [71129f] | 270 |   CPPUNIT_ASSERT(testVector.ScalarProduct(two) <= LINALG_MYEPSILON());
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| [1829c4] | 271 | 
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 | 272 |   // three component system
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 | 273 |   CPPUNIT_ASSERT(testVector.GetOneNormalVector(three));
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| [71129f] | 274 |   CPPUNIT_ASSERT(testVector.ScalarProduct(three) <= LINALG_MYEPSILON());
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| [1829c4] | 275 | }
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