| [83fd7d] | 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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| [94d5ac6] | 5 | * | 
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|  | 6 | * | 
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|  | 7 | *   This file is part of MoleCuilder. | 
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|  | 8 | * | 
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|  | 9 | *    MoleCuilder is free software: you can redistribute it and/or modify | 
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|  | 10 | *    it under the terms of the GNU General Public License as published by | 
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|  | 11 | *    the Free Software Foundation, either version 2 of the License, or | 
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|  | 12 | *    (at your option) any later version. | 
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|  | 13 | * | 
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|  | 14 | *    MoleCuilder is distributed in the hope that it will be useful, | 
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|  | 15 | *    but WITHOUT ANY WARRANTY; without even the implied warranty of | 
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|  | 16 | *    MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE.  See the | 
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|  | 17 | *    GNU General Public License for more details. | 
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|  | 18 | * | 
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|  | 19 | *    You should have received a copy of the GNU General Public License | 
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|  | 20 | *    along with MoleCuilder.  If not, see <http://www.gnu.org/licenses/>. | 
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| [83fd7d] | 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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