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) 2010-2012 University of Bonn. All rights reserved.
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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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21 | */
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22 |
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23 | /*
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24 | * Ops_FillPredicateUnitTest.cpp
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25 | *
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26 | * Created on: Jan 19, 2012
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27 | * Author: heber
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28 | */
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29 |
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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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35 | #include <cppunit/CompilerOutputter.h>
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36 | #include <cppunit/extensions/TestFactoryRegistry.h>
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37 | #include <cppunit/ui/text/TestRunner.h>
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38 |
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39 | #include "CodePatterns/Assert.hpp"
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40 |
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41 | #include "Atom/atom.hpp"
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42 | #include "Box.hpp"
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43 | #include "Filling/Predicates/IsValidInDomain_FillPredicate.hpp"
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44 | #include "Filling/Predicates/IsVoidNode_FillPredicate.hpp"
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45 | #include "Filling/Predicates/Ops_FillPredicate.hpp"
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46 | #include "LinearAlgebra/RealSpaceMatrix.hpp"
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47 | #include "Filling/NodeTypes.hpp"
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48 | #include "Shapes/BaseShapes.hpp"
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49 | #include "World.hpp"
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50 |
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51 | #include "Ops_FillPredicateUnitTest.hpp"
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52 |
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53 | #ifdef HAVE_TESTRUNNER
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54 | #include "UnitTestMain.hpp"
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55 | #endif /*HAVE_TESTRUNNER*/
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56 |
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57 | /********************************************** Test classes **************************************/
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58 |
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59 | // Registers the fixture into the 'registry'
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60 | CPPUNIT_TEST_SUITE_REGISTRATION( Ops_FillPredicateTest );
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61 |
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62 | void DoSomething(atom * const _atom)
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63 | {
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64 | _atom->setPosition( Vector((double)_atom->getId(), 0., 0.) );
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65 | }
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66 |
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67 | void Ops_FillPredicateTest::setUp()
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68 | {
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69 | // failing asserts should be thrown
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70 | ASSERT_DO(Assert::Throw);
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71 |
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72 | // set default BCs to ignore
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73 | World::getInstance().getDomain().setConditions(
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74 | BoundaryConditions::Conditions_t(3, BoundaryConditions::Ignore)
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75 | );
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76 |
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77 | Domainpredicate = new FillPredicate(IsValidInDomain_FillPredicate(World::getInstance().getDomain()));
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78 |
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79 | // create some atoms as "neighbours"
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80 | atoms.resize((size_t)5, NULL);
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81 | std::generate_n(atoms.begin(), (size_t)5, boost::bind(&World::createAtom, World::getPointer()) );
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82 |
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83 | // position them
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84 | std::for_each(atoms.begin(), atoms.end(), &DoSomething);
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85 |
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86 | Voidpredicate = new FillPredicate(IsVoidNode_FillPredicate(Sphere()));
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87 | }
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88 |
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89 |
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90 | void Ops_FillPredicateTest::tearDown()
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91 | {
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92 | delete Domainpredicate;
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93 | delete Voidpredicate;
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94 |
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95 | World::purgeInstance();
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96 | }
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97 |
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98 | /** Test whether operator() returns as desired
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99 | *
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100 | */
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101 | void Ops_FillPredicateTest::AndTest()
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102 | {
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103 | FillPredicate Andpredicate = (*Domainpredicate) && (*Voidpredicate);
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104 |
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105 | CPPUNIT_ASSERT( !Andpredicate( Vector(-1.,1.,0.)) );
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106 | CPPUNIT_ASSERT( !Andpredicate( Vector(-2.,0.,0.)) );
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107 | CPPUNIT_ASSERT( Andpredicate( Vector(5.,1.,0.)) );
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108 | CPPUNIT_ASSERT( Andpredicate( Vector(5.,0.,1.)) );
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109 | for (double i = 0; i < 5.; ++i) {
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110 | CPPUNIT_ASSERT( !Andpredicate( Vector(i, 0., 0.)) );
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111 | CPPUNIT_ASSERT( !Andpredicate( Vector(i, 1., 0.)) );
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112 | CPPUNIT_ASSERT( !Andpredicate( Vector(i, -1., 0.)) );
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113 | CPPUNIT_ASSERT( !Andpredicate( Vector(i, 0., 1.)) );
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114 | CPPUNIT_ASSERT( !Andpredicate( Vector(i, 0., -1.)) );
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115 | }
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116 | CPPUNIT_ASSERT( !Andpredicate( Vector(5.,-1.,0.)) );
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117 | CPPUNIT_ASSERT( Andpredicate( Vector(5.,0.,1.)) );
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118 | CPPUNIT_ASSERT( !Andpredicate( Vector(5.,0.,-1.)) );
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119 | CPPUNIT_ASSERT( Andpredicate( Vector(6.,0.,0.)) );
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120 | }
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121 | /** Test whether operator() returns as desired
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122 | *
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123 | */
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124 | void Ops_FillPredicateTest::OrTest()
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125 | {
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126 | FillPredicate Orpredicate = (*Domainpredicate) || (*Voidpredicate);
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127 |
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128 | // in OR case: Voidpredicate will always throw because it internally checks
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129 | // whether Linked Cell structure gets correct index to cell, which fails under
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130 | // Ignore boundary conditions
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131 | #ifndef NDEBUG
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132 | std::cout << "The following Assertion is intended and does not represent a failure of the test." << std::endl;
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133 | CPPUNIT_ASSERT_THROW( Orpredicate( Vector(-1.,1.,0.)), Assert::AssertionFailure );
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134 | #else
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135 | CPPUNIT_ASSERT( Orpredicate( Vector(-1.,1.,0.)) );
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136 | #endif
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137 | CPPUNIT_ASSERT( Orpredicate( Vector(5.,1.,0.)) );
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138 | #ifndef NDEBUG
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139 | std::cout << "The following Assertion is intended and does not represent a failure of the test." << std::endl;
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140 | CPPUNIT_ASSERT_THROW( Orpredicate( Vector(-2.,0.,0.)), Assert::AssertionFailure );
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141 | #else
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142 | CPPUNIT_ASSERT( Orpredicate( Vector(-2.,0.,0.)) );
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143 | #endif
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144 | for (double i = 0; i < 5.; ++i) {
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145 | CPPUNIT_ASSERT( Orpredicate( Vector(i, 0., 0.)) );
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146 | CPPUNIT_ASSERT( Orpredicate( Vector(i, 1., 0.)) );
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147 | #ifndef NDEBUG
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148 | std::cout << "The following Assertion is intended and does not represent a failure of the test." << std::endl;
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149 | CPPUNIT_ASSERT_THROW( Orpredicate( Vector(i, -1., 0.)), Assert::AssertionFailure );
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150 | #else
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151 | CPPUNIT_ASSERT( !Orpredicate( Vector(i, -1., 0.)) );
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152 | #endif
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153 | CPPUNIT_ASSERT( Orpredicate( Vector(i, 0., 1.)) );
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154 | #ifndef NDEBUG
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155 | std::cout << "The following Assertion is intended and does not represent a failure of the test." << std::endl;
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156 | CPPUNIT_ASSERT_THROW( Orpredicate( Vector(i, 0., -1.)), Assert::AssertionFailure );
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157 | #else
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158 | CPPUNIT_ASSERT( !Orpredicate( Vector(i, 0., -1.)) );
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159 | #endif
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160 | }
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161 | CPPUNIT_ASSERT( Orpredicate( Vector(5.,1.,0.)) );
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162 | #ifndef NDEBUG
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163 | std::cout << "The following Assertion is intended and does not represent a failure of the test." << std::endl;
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164 | CPPUNIT_ASSERT_THROW( Orpredicate( Vector(5.,-1.,0.)), Assert::AssertionFailure );
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165 | #else
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166 | CPPUNIT_ASSERT( Orpredicate( Vector(5.,-1.,0.)) );
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167 | #endif
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168 | CPPUNIT_ASSERT( Orpredicate( Vector(5.,0.,1.)) );
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169 | #ifndef NDEBUG
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170 | std::cout << "The following Assertion is intended and does not represent a failure of the test." << std::endl;
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171 | CPPUNIT_ASSERT_THROW( Orpredicate( Vector(5.,0.,-1.)), Assert::AssertionFailure );
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172 | #else
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173 | CPPUNIT_ASSERT( Orpredicate( Vector(5.,0.,-1.)) );
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174 | #endif
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175 | CPPUNIT_ASSERT( Orpredicate( Vector(6.,0.,0.)) );
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176 | }
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177 |
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178 | /** Test whether operator!() returns as desired
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179 | *
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180 | */
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181 | void Ops_FillPredicateTest::NotTest()
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182 | {
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183 | Box &domain = World::getInstance().getDomain();
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184 | Node origin(0.,0.,0.);
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185 | Node center(10.,10.,10.);
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186 | Node corner(20.,20.,20.);
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187 | Node outside(30.,30.,30.);
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188 |
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189 | FillPredicate Notpredicate = !(*Domainpredicate);
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190 | FillPredicate Notpredicate2 = !(*Voidpredicate);
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191 |
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192 | domain.setConditions(
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193 | BoundaryConditions::Conditions_t(3, BoundaryConditions::Wrap)
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194 | );
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195 | // boundary conditions: Wrap
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196 | {
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197 | // origin is inside
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198 | CPPUNIT_ASSERT( !Notpredicate(origin) );
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199 |
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200 | // center is inside
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201 | CPPUNIT_ASSERT( !Notpredicate(center) );
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202 |
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203 | // corner is inside
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204 | CPPUNIT_ASSERT( !Notpredicate(corner) );
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205 |
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206 | // outside is outside
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207 | CPPUNIT_ASSERT( !Notpredicate(outside) );
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208 | }
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209 |
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210 | // boundary conditions: Bounce
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211 | {
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212 | domain.setCondition(0, BoundaryConditions::Bounce);
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213 | // origin is inside
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214 | CPPUNIT_ASSERT( !Notpredicate(origin) );
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215 |
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216 | // center is inside
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217 | CPPUNIT_ASSERT( !Notpredicate(center) );
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218 |
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219 | // corner is inside
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220 | CPPUNIT_ASSERT( !Notpredicate(corner) );
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221 |
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222 | // outside is outside
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223 | CPPUNIT_ASSERT( !Notpredicate(outside) );
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224 | domain.setCondition(0, BoundaryConditions::Wrap);
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225 | }
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226 |
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227 | // boundary conditions: Ignore
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228 | {
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229 | domain.setCondition(0, BoundaryConditions::Ignore);
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230 | // origin is inside
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231 | CPPUNIT_ASSERT( !Notpredicate(origin) );
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232 |
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233 | // center is inside
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234 | CPPUNIT_ASSERT( !Notpredicate(center) );
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235 |
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236 | // corner is inside
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237 | CPPUNIT_ASSERT( !Notpredicate(corner) );
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238 |
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239 | // outside is outside
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240 | CPPUNIT_ASSERT( Notpredicate(outside) );
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241 | domain.setCondition(0, BoundaryConditions::Wrap);
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242 | }
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243 |
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244 | // set BCs back to default Ignore
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245 | domain.setConditions(
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246 | BoundaryConditions::Conditions_t(3, BoundaryConditions::Ignore)
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247 | );
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248 | // check on not void
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249 | #ifndef NDEBUG
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250 | std::cout << "The following Assertion is intended and does not represent a failure of the test." << std::endl;
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251 | CPPUNIT_ASSERT_THROW( Notpredicate2( Vector(-2.,0.,0.)), Assert::AssertionFailure );
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252 | #else
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253 | CPPUNIT_ASSERT( !Notpredicate2( Vector(-2.,0.,0.)) );
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254 | #endif
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255 | for (double i = 0; i < 5.; ++i) {
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256 | CPPUNIT_ASSERT( Notpredicate2( Vector(i, 0., 0.)) );
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257 | CPPUNIT_ASSERT( Notpredicate2( Vector(i, 1., 0.)) );
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258 | #ifndef NDEBUG
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259 | std::cout << "The following Assertion is intended and does not represent a failure of the test." << std::endl;
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260 | CPPUNIT_ASSERT_THROW( Notpredicate2( Vector(i, -1., 0.)), Assert::AssertionFailure );
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261 | #else
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262 | CPPUNIT_ASSERT( Notpredicate2( Vector(i, -1., 0.)) );
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263 | #endif
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264 | CPPUNIT_ASSERT( Notpredicate2( Vector(i, 0., 1.)) );
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265 | #ifndef NDEBUG
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266 | std::cout << "The following Assertion is intended and does not represent a failure of the test." << std::endl;
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267 | CPPUNIT_ASSERT_THROW( Notpredicate2( Vector(i, 0., -1.)), Assert::AssertionFailure );
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268 | #else
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269 | CPPUNIT_ASSERT( Notpredicate2( Vector(i, 0., -1.)) );
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270 | #endif
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271 | }
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272 | CPPUNIT_ASSERT( !Notpredicate2( Vector(5.,1.,0.)) );
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273 | #ifndef NDEBUG
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274 | std::cout << "The following Assertion is intended and does not represent a failure of the test." << std::endl;
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275 | CPPUNIT_ASSERT_THROW( Notpredicate2( Vector(5.,-1.,0.)), Assert::AssertionFailure );
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276 | #else
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277 | CPPUNIT_ASSERT( !Notpredicate2( Vector(5.,-1.,0.)) );
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278 | #endif
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279 | CPPUNIT_ASSERT( !Notpredicate2( Vector(5.,0.,1.)) );
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280 | #ifndef NDEBUG
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281 | std::cout << "The following Assertion is intended and does not represent a failure of the test." << std::endl;
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282 | CPPUNIT_ASSERT_THROW( Notpredicate2( Vector(5.,0.,-1.)), Assert::AssertionFailure );
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283 | #else
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284 | CPPUNIT_ASSERT( !Notpredicate2( Vector(5.,0.,-1.)) );
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285 | #endif
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286 | CPPUNIT_ASSERT( !Notpredicate2( Vector(6.,0.,0.)) );
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287 | }
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