[5344e4] | 1 | /*
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| 2 | * Project: MoleCuilder
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| 3 | * Description: creates and alters molecular systems
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[0aa122] | 4 | * Copyright (C) 2012 University of Bonn. All rights reserved.
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[5344e4] | 5 | * Please see the LICENSE file or "Copyright notice" in builder.cpp for details.
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| 6 | */
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| 7 |
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| 8 | /*
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| 9 | * LinkedCell_ViewUnitTest.cpp
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| 10 | *
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| 11 | * Created on: Nov 18, 2011
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| 12 | * Author: heber
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| 13 | */
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| 14 |
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| 15 | // include config.h
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| 16 | #ifdef HAVE_CONFIG_H
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| 17 | #include <config.h>
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| 18 | #endif
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| 19 |
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| 20 | using namespace std;
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| 21 |
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| 22 | #include <cppunit/CompilerOutputter.h>
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| 23 | #include <cppunit/extensions/TestFactoryRegistry.h>
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| 24 | #include <cppunit/ui/text/TestRunner.h>
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| 25 |
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| 26 | #include <algorithm>
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| 27 | #include <list>
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| 28 |
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| 29 | #include "Box.hpp"
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| 30 | #include "CodePatterns/Assert.hpp"
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| 31 | #include "CodePatterns/Log.hpp"
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| 32 | #include "LinearAlgebra/defs.hpp"
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| 33 | #include "LinearAlgebra/RealSpaceMatrix.hpp"
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| 34 | #include "LinkedCell/LinkedCell.hpp"
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| 35 | #include "LinkedCell/LinkedCell_Model.hpp"
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| 36 | #include "LinkedCell/LinkedCell_View.hpp"
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| 37 | #include "LinkedCell/PointCloudAdaptor.hpp"
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[c379f9] | 38 | #include "LinkedCell/unittests/defs.hpp"
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[ce81e76] | 39 | #include "World.hpp"
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| 40 | #include "WorldTime.hpp"
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[5344e4] | 41 |
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| 42 | #include "LinkedCell_ViewUnitTest.hpp"
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| 43 |
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| 44 | #ifdef HAVE_TESTRUNNER
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| 45 | #include "UnitTestMain.hpp"
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| 46 | #endif /*HAVE_TESTRUNNER*/
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| 47 |
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| 48 | /********************************************** Test classes **************************************/
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| 49 |
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| 50 | // Registers the fixture into the 'registry'
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| 51 | CPPUNIT_TEST_SUITE_REGISTRATION( LinkedCell_ViewTest );
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| 52 |
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| 53 |
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| 54 | void LinkedCell_ViewTest::setUp()
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| 55 | {
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| 56 | // failing asserts should be thrown
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| 57 | ASSERT_DO(Assert::Throw);
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| 58 |
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| 59 | //setVerbosity(3);
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| 60 |
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| 61 | // create diag(20.) matrix
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| 62 | RealSpaceMatrix BoxM;
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| 63 | BoxM.setIdentity();
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| 64 | BoxM *= 20.;
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| 65 |
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| 66 | // create Box with this matrix
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| 67 | domain = new Box(BoxM);
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| 68 |
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| 69 | // create LinkedCell structure with this Box
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| 70 | LCImpl = new LinkedCell::LinkedCell_Model(EDGELENGTH, *domain);
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| 71 |
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| 72 | // create a list of nodes and add to LCImpl
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| 73 | std::vector< Vector > VectorList;
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| 74 | for (size_t i=0;i<((size_t)floor(NUMBERCELLS));++i)
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| 75 | VectorList.push_back(Vector((double)i*EDGELENGTH,(double)i*EDGELENGTH,(double)i*EDGELENGTH));
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| 76 | for (size_t i=0;i<VectorList.size();++i) {
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| 77 | TesselPoint * Walker = new TesselPoint();
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| 78 | Walker->setName(std::string("Walker")+toString(i));
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| 79 | Walker->setPosition(VectorList[i]);
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| 80 | NodeList.insert(Walker);
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| 81 | LCImpl->addNode(Walker);
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| 82 | }
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| 83 |
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| 84 | // create LinkedCell_View from that
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| 85 | LC = new LinkedCell::LinkedCell_View(*LCImpl);
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| 86 | }
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| 87 |
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| 88 |
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| 89 | void LinkedCell_ViewTest::tearDown()
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| 90 | {
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| 91 | delete LC;
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| 92 | delete LCImpl;
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| 93 | delete domain;
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| 94 |
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| 95 | // remove all nodes again
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| 96 | for (PointSet::iterator iter = NodeList.begin();
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| 97 | !NodeList.empty();
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| 98 | iter = NodeList.begin()) {
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| 99 | delete *iter;
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| 100 | NodeList.erase(iter);
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| 101 | }
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[ce81e76] | 102 |
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| 103 | // delete in correct order
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| 104 | World::purgeInstance();
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| 105 | WorldTime::purgeInstance();
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[5344e4] | 106 | }
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| 107 |
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| 108 |
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| 109 | /** UnitTest for getAllNeighbors()
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| 110 | */
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| 111 | void LinkedCell_ViewTest::getAllNeighborsTest()
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| 112 | {
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| 113 | // define some center vector
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| 114 | Vector center(DOMAINLENGTH/2.,DOMAINLENGTH/2.,DOMAINLENGTH/2.);
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| 115 |
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| 116 | // get LinkedList from LC
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| 117 | const double distance = 2.;
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| 118 | LinkedCell::LinkedList NeighborList = LC->getAllNeighbors(distance, center);
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| 119 | // for (LinkedCell::LinkedList::const_iterator iter = NeighborList.begin();
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| 120 | // iter != NeighborList.end(); ++iter)
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| 121 | // std::cout << **iter << " is in returned neighbor list." << std::endl;
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| 122 |
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| 123 | // gather points from NodeList
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| 124 | LinkedCell::LinkedList ComparisonList;
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| 125 | for (PointSet::const_iterator iter = NodeList.begin(); iter != NodeList.end(); ++iter)
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| 126 | if (center.DistanceSquared((*iter)->getPosition()) <= distance*distance) {
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[fbbcde] | 127 | ComparisonList.insert(*iter);
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[5344e4] | 128 | //std::cout << **iter << " is inside of " << center << " plus " << distance << "." << std::endl;
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| 129 | }
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| 130 | // check that we get at least as many as needed
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| 131 | CPPUNIT_ASSERT(ComparisonList.size() <= NeighborList.size());
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| 132 |
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| 133 | // check element-wise and skip unrequired ones
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| 134 | LinkedCell::LinkedList::iterator iter1 = ComparisonList.begin();
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| 135 | LinkedCell::LinkedList::iterator iter2 = NeighborList.begin();
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| 136 | for(;(iter1 != ComparisonList.end()) && (iter2 != NeighborList.end()); ++iter1, ++iter2) {
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[c8f6b6] | 137 | while (*iter1 != *iter2) {
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| 138 | CPPUNIT_ASSERT( iter2 != NeighborList.end() );
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[5344e4] | 139 | ++iter2;
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[c8f6b6] | 140 | }
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[5344e4] | 141 | //std::cout << **iter1 << " == " << **iter2 << std::endl;
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| 142 | CPPUNIT_ASSERT( iter2 != NeighborList.end() );
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| 143 | }
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| 144 | }
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| 145 |
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| 146 | /** UnitTest for getPointsInsideSphere()
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| 147 | */
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| 148 | void LinkedCell_ViewTest::getPointsInsideSphereTest()
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| 149 | {
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| 150 | // define some center vector
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| 151 | Vector center(DOMAINLENGTH/2.,DOMAINLENGTH/2.,DOMAINLENGTH/2.);
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| 152 |
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| 153 | // get LinkedList from LC
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[c8f6b6] | 154 | const double distance = 3.;
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[5344e4] | 155 | LinkedCell::LinkedList NeighborList = LC->getPointsInsideSphere(distance, center);
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| 156 | // for (LinkedCell::LinkedList::const_iterator iter = NeighborList.begin();
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| 157 | // iter != NeighborList.end(); ++iter)
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| 158 | // std::cout << **iter << " is in returned restricted neighbor list." << std::endl;
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| 159 |
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| 160 | // gather points from NodeList
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| 161 | LinkedCell::LinkedList ComparisonList;
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| 162 | for (PointSet::const_iterator iter = NodeList.begin(); iter != NodeList.end(); ++iter)
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| 163 | if (center.DistanceSquared((*iter)->getPosition()) <= distance*distance) {
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[fbbcde] | 164 | ComparisonList.insert(*iter);
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[5344e4] | 165 | //std::cout << **iter << " is inside of " << center << " plus " << distance << "." << std::endl;
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| 166 | }
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| 167 | // check that we get at least as many as needed
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| 168 | CPPUNIT_ASSERT(ComparisonList.size() == NeighborList.size());
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| 169 |
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| 170 | // check element-wise and skip unrequired ones
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| 171 | LinkedCell::LinkedList::iterator iter1 = ComparisonList.begin();
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| 172 | LinkedCell::LinkedList::iterator iter2 = NeighborList.begin();
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| 173 | for(;(iter1 != ComparisonList.end()) && (iter2 != NeighborList.end()); ++iter1, ++iter2) {
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| 174 | //std::cout << **iter1 << " == " << **iter2 << std::endl;
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| 175 | CPPUNIT_ASSERT( *iter1 == *iter2 );
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| 176 | }
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| 177 | }
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[9ed706] | 178 |
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| 179 |
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| 180 | LinkedCell::LinkedCell_View returnView(LinkedCell::LinkedCell_View &view)
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| 181 | {
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| 182 | return view;
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| 183 | }
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| 184 |
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| 185 | LinkedCell::LinkedCell_View returnCopiedView(LinkedCell::LinkedCell_View &view)
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| 186 | {
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| 187 | LinkedCell::LinkedCell_View retview(view);
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| 188 | return retview;
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| 189 | }
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| 190 |
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| 191 | /** UnitTest on whether counting in RAIIMap works
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| 192 | */
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| 193 | void LinkedCell_ViewTest::RAIIMapTest()
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| 194 | {
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| 195 | CPPUNIT_ASSERT_EQUAL( (size_t)1, LinkedCell::LinkedCell_View::RAIIMap.size() );
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| 196 |
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| 197 | // check that we are present
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| 198 | LinkedCell::LinkedCell_View::ModelInstanceMap::iterator iter =
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| 199 | LinkedCell::LinkedCell_View::RAIIMap.find(LC);
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| 200 | CPPUNIT_ASSERT( iter != LinkedCell::LinkedCell_View::RAIIMap.end() );
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| 201 | CPPUNIT_ASSERT( *iter == LC );
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| 202 |
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| 203 | // check that we are the only value present
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| 204 | ++iter;
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| 205 | CPPUNIT_ASSERT( iter == LinkedCell::LinkedCell_View::RAIIMap.end() );
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| 206 |
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| 207 | // add another view and check that there is not assertion
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| 208 | LinkedCell::LinkedCell_View *view = NULL;
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| 209 | CPPUNIT_ASSERT_NO_THROW( view = new LinkedCell::LinkedCell_View(*LCImpl) );
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| 210 | CPPUNIT_ASSERT_EQUAL( (size_t)2, LinkedCell::LinkedCell_View::RAIIMap.size() );
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| 211 | delete view;
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| 212 | CPPUNIT_ASSERT_EQUAL( (size_t)1, LinkedCell::LinkedCell_View::RAIIMap.size() );
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| 213 |
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| 214 | // copy current view
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| 215 | {
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| 216 | LinkedCell::LinkedCell_View view(*LC);
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| 217 | CPPUNIT_ASSERT_EQUAL( (size_t)2, LinkedCell::LinkedCell_View::RAIIMap.size() );
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| 218 | LinkedCell::LinkedCell_View view2 = *LC;
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| 219 | CPPUNIT_ASSERT_EQUAL( (size_t)3, LinkedCell::LinkedCell_View::RAIIMap.size() );
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| 220 | }
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| 221 | CPPUNIT_ASSERT_EQUAL( (size_t)1, LinkedCell::LinkedCell_View::RAIIMap.size() );
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| 222 |
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| 223 | // with function returning view
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| 224 | {
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| 225 | LinkedCell::LinkedCell_View view = returnView(*LC);
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| 226 | CPPUNIT_ASSERT_EQUAL( (size_t)2, LinkedCell::LinkedCell_View::RAIIMap.size() );
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| 227 | }
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| 228 | CPPUNIT_ASSERT_EQUAL( (size_t)1, LinkedCell::LinkedCell_View::RAIIMap.size() );
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| 229 |
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| 230 | // with function returning copied view
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| 231 | {
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| 232 | LinkedCell::LinkedCell_View view = returnCopiedView(*LC);
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| 233 | CPPUNIT_ASSERT_EQUAL( (size_t)2, LinkedCell::LinkedCell_View::RAIIMap.size() );
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| 234 | }
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| 235 | CPPUNIT_ASSERT_EQUAL( (size_t)1, LinkedCell::LinkedCell_View::RAIIMap.size() );
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| 236 | }
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| 237 |
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