| [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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