| 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)  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 |  * LinkedCell_ViewUnitTest.cpp
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| 25 |  *
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| 26 |  *  Created on: Nov 18, 2011
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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 | using namespace std;
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| 36 | 
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| 37 | #include <cppunit/CompilerOutputter.h>
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| 38 | #include <cppunit/extensions/TestFactoryRegistry.h>
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| 39 | #include <cppunit/ui/text/TestRunner.h>
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| 40 | 
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| 41 | #include <algorithm>
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| 42 | #include <list>
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| 43 | 
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| 44 | #include "Box.hpp"
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| 45 | #include "CodePatterns/Assert.hpp"
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| 46 | #include "CodePatterns/Log.hpp"
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| 47 | #include "LinearAlgebra/defs.hpp"
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| 48 | #include "LinearAlgebra/RealSpaceMatrix.hpp"
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| 49 | #include "LinkedCell/LinkedCell.hpp"
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| 50 | #include "LinkedCell/LinkedCell_Model.hpp"
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| 51 | #include "LinkedCell/LinkedCell_View.hpp"
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| 52 | #include "LinkedCell/PointCloudAdaptor.hpp"
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| 53 | #include "LinkedCell/unittests/defs.hpp"
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| 54 | #include "World.hpp"
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| 55 | #include "WorldTime.hpp"
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| 56 | 
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| 57 | #include "LinkedCell_ViewUnitTest.hpp"
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| 58 | 
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| 59 | #ifdef HAVE_TESTRUNNER
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| 60 | #include "UnitTestMain.hpp"
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| 61 | #endif /*HAVE_TESTRUNNER*/
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| 62 | 
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| 63 | /********************************************** Test classes **************************************/
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| 64 | 
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| 65 | // Registers the fixture into the 'registry'
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| 66 | CPPUNIT_TEST_SUITE_REGISTRATION( LinkedCell_ViewTest );
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| 67 | 
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| 68 | 
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| 69 | void LinkedCell_ViewTest::setUp()
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| 70 | {
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| 71 |   // failing asserts should be thrown
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| 72 |   ASSERT_DO(Assert::Throw);
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| 73 | 
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| 74 |   //setVerbosity(3);
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| 75 | 
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| 76 |   // create diag(20.) matrix
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| 77 |   RealSpaceMatrix BoxM;
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| 78 |   BoxM.setIdentity();
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| 79 |   BoxM *= 20.;
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| 80 | 
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| 81 |   // create Box with this matrix
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| 82 |   domain = new Box(BoxM);
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| 83 | 
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| 84 |   // create LinkedCell structure with this Box
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| 85 |   LCImpl = new LinkedCell::LinkedCell_Model(EDGELENGTH, *domain);
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| 86 | 
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| 87 |   // create a list of nodes and add to LCImpl
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| 88 |   std::vector< Vector > VectorList;
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| 89 |   for (size_t i=0;i<((size_t)floor(NUMBERCELLS));++i)
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| 90 |     VectorList.push_back(Vector((double)i*EDGELENGTH,(double)i*EDGELENGTH,(double)i*EDGELENGTH));
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| 91 |   for (size_t i=0;i<VectorList.size();++i) {
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| 92 |     TesselPoint * Walker = new TesselPoint();
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| 93 |     Walker->setName(std::string("Walker")+toString(i));
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| 94 |     Walker->setPosition(VectorList[i]);
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| 95 |     NodeList.insert(Walker);
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| 96 |     LCImpl->addNode(Walker);
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| 97 |   }
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| 98 | 
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| 99 |   // create LinkedCell_View from that
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| 100 |   LC = new LinkedCell::LinkedCell_View(*LCImpl);
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| 101 | }
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| 102 | 
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| 103 | 
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| 104 | void LinkedCell_ViewTest::tearDown()
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| 105 | {
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| 106 |   delete LC;
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| 107 |   delete LCImpl;
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| 108 |   delete domain;
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| 109 | 
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| 110 |   // remove all nodes again
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| 111 |   for (PointSet::iterator iter = NodeList.begin();
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| 112 |       !NodeList.empty();
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| 113 |       iter = NodeList.begin()) {
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| 114 |     delete *iter;
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| 115 |     NodeList.erase(iter);
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| 116 |   }
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| 117 | 
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| 118 |   // delete in correct order
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| 119 |   World::purgeInstance();
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| 120 |   WorldTime::purgeInstance();
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| 121 | }
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| 122 | 
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| 123 | 
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| 124 | /** UnitTest for getAllNeighbors()
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| 125 |  */
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| 126 | void LinkedCell_ViewTest::getAllNeighborsTest()
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| 127 | {
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| 128 |   // define some center vector
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| 129 |   Vector center(DOMAINLENGTH/2.,DOMAINLENGTH/2.,DOMAINLENGTH/2.);
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| 130 | 
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| 131 |   // get LinkedList from LC
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| 132 |   const double distance = 2.;
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| 133 |   LinkedCell::LinkedList NeighborList = LC->getAllNeighbors(distance, center);
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| 134 | //  for (LinkedCell::LinkedList::const_iterator iter = NeighborList.begin();
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| 135 | //      iter != NeighborList.end(); ++iter)
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| 136 | //    std::cout << **iter << " is in returned neighbor list." << std::endl;
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| 137 | 
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| 138 |   // gather points from NodeList
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| 139 |   LinkedCell::LinkedList ComparisonList;
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| 140 |   for (PointSet::const_iterator iter = NodeList.begin(); iter != NodeList.end(); ++iter)
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| 141 |     if (center.DistanceSquared((*iter)->getPosition()) <= distance*distance) {
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| 142 |       ComparisonList.insert(*iter);
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| 143 |       //std::cout << **iter << " is inside of " << center << " plus " << distance << "." << std::endl;
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| 144 |     }
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| 145 |   // check that we get at least as many as needed
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| 146 |   CPPUNIT_ASSERT(ComparisonList.size() <= NeighborList.size());
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| 147 | 
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| 148 |   // check element-wise and skip unrequired ones
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| 149 |   LinkedCell::LinkedList::iterator iter1 = ComparisonList.begin();
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| 150 |   LinkedCell::LinkedList::iterator iter2 = NeighborList.begin();
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| 151 |   for(;(iter1 != ComparisonList.end()) && (iter2 != NeighborList.end()); ++iter1, ++iter2) {
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| 152 |     while (*iter1 != *iter2) {
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| 153 |       CPPUNIT_ASSERT( iter2 != NeighborList.end() );
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| 154 |       ++iter2;
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| 155 |     }
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| 156 |     //std::cout << **iter1 << " == " << **iter2 << std::endl;
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| 157 |     CPPUNIT_ASSERT( iter2 != NeighborList.end() );
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| 158 |   }
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| 159 | }
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| 160 | 
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| 161 | /** UnitTest for getPointsInsideSphere()
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| 162 |  */
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| 163 | void LinkedCell_ViewTest::getPointsInsideSphereTest()
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| 164 | {
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| 165 |   // define some center vector
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| 166 |   Vector center(DOMAINLENGTH/2.,DOMAINLENGTH/2.,DOMAINLENGTH/2.);
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| 167 | 
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| 168 |   // get LinkedList from LC
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| 169 |   const double distance = 3.;
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| 170 |   LinkedCell::LinkedList NeighborList = LC->getPointsInsideSphere(distance, center);
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| 171 | //  for (LinkedCell::LinkedList::const_iterator iter = NeighborList.begin();
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| 172 | //      iter != NeighborList.end(); ++iter)
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| 173 | //    std::cout << **iter << " is in returned restricted neighbor list." << std::endl;
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| 174 | 
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| 175 |   // gather points from NodeList
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| 176 |   LinkedCell::LinkedList ComparisonList;
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| 177 |   for (PointSet::const_iterator iter = NodeList.begin(); iter != NodeList.end(); ++iter)
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| 178 |     if (center.DistanceSquared((*iter)->getPosition()) <= distance*distance) {
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| 179 |       ComparisonList.insert(*iter);
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| 180 |       //std::cout << **iter << " is inside of " << center << " plus " << distance << "." << std::endl;
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| 181 |     }
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| 182 |   // check that we get at least as many as needed
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| 183 |   CPPUNIT_ASSERT(ComparisonList.size() == NeighborList.size());
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| 184 | 
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| 185 |   // check element-wise and skip unrequired ones
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| 186 |   LinkedCell::LinkedList::iterator iter1 = ComparisonList.begin();
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| 187 |   LinkedCell::LinkedList::iterator iter2 = NeighborList.begin();
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| 188 |   for(;(iter1 != ComparisonList.end()) && (iter2 != NeighborList.end()); ++iter1, ++iter2) {
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| 189 |     //std::cout << **iter1 << " == " << **iter2 << std::endl;
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| 190 |     CPPUNIT_ASSERT( *iter1 == *iter2 );
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| 191 |   }
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| 192 | }
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| 193 | 
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| 194 | 
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| 195 | LinkedCell::LinkedCell_View returnView(LinkedCell::LinkedCell_View &view)
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| 196 | {
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| 197 |   return view;
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| 198 | }
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| 199 | 
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| 200 | LinkedCell::LinkedCell_View returnCopiedView(LinkedCell::LinkedCell_View &view)
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| 201 | {
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| 202 |   LinkedCell::LinkedCell_View retview(view);
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| 203 |   return retview;
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| 204 | }
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| 205 | 
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| 206 | /** UnitTest on whether counting in RAIIMap works
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| 207 |  */
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| 208 | void LinkedCell_ViewTest::RAIIMapTest()
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| 209 | {
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| 210 |   CPPUNIT_ASSERT_EQUAL( (size_t)1, LinkedCell::LinkedCell_View::RAIIMap.size() );
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| 211 | 
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| 212 |   // check that we are present
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| 213 |   LinkedCell::LinkedCell_View::ModelInstanceMap::iterator iter =
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| 214 |       LinkedCell::LinkedCell_View::RAIIMap.find(LC);
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| 215 |   CPPUNIT_ASSERT( iter != LinkedCell::LinkedCell_View::RAIIMap.end() );
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| 216 |   CPPUNIT_ASSERT( *iter == LC );
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| 217 | 
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| 218 |   // check that we are the only value present
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| 219 |   ++iter;
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| 220 |   CPPUNIT_ASSERT( iter == LinkedCell::LinkedCell_View::RAIIMap.end() );
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| 221 | 
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| 222 |   // add another view and check that there is not assertion
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| 223 |   LinkedCell::LinkedCell_View *view = NULL;
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| 224 |   CPPUNIT_ASSERT_NO_THROW( view = new LinkedCell::LinkedCell_View(*LCImpl) );
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| 225 |   CPPUNIT_ASSERT_EQUAL( (size_t)2, LinkedCell::LinkedCell_View::RAIIMap.size() );
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| 226 |   delete view;
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| 227 |   CPPUNIT_ASSERT_EQUAL( (size_t)1, LinkedCell::LinkedCell_View::RAIIMap.size() );
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| 228 | 
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| 229 |   // copy current view
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| 230 |   {
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| 231 |     LinkedCell::LinkedCell_View view(*LC);
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| 232 |     CPPUNIT_ASSERT_EQUAL( (size_t)2, LinkedCell::LinkedCell_View::RAIIMap.size() );
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| 233 |     LinkedCell::LinkedCell_View view2 = *LC;
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| 234 |     CPPUNIT_ASSERT_EQUAL( (size_t)3, LinkedCell::LinkedCell_View::RAIIMap.size() );
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| 235 |   }
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| 236 |   CPPUNIT_ASSERT_EQUAL( (size_t)1, LinkedCell::LinkedCell_View::RAIIMap.size() );
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| 237 | 
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| 238 |   // with function returning view
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| 239 |   {
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| 240 |     LinkedCell::LinkedCell_View view = returnView(*LC);
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| 241 |     CPPUNIT_ASSERT_EQUAL( (size_t)2, LinkedCell::LinkedCell_View::RAIIMap.size() );
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| 242 |   }
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| 243 |   CPPUNIT_ASSERT_EQUAL( (size_t)1, LinkedCell::LinkedCell_View::RAIIMap.size() );
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| 244 | 
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| 245 |   // with function returning copied view
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| 246 |   {
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| 247 |     LinkedCell::LinkedCell_View view = returnCopiedView(*LC);
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| 248 |     CPPUNIT_ASSERT_EQUAL( (size_t)2, LinkedCell::LinkedCell_View::RAIIMap.size() );
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| 249 |   }
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| 250 |   CPPUNIT_ASSERT_EQUAL( (size_t)1, LinkedCell::LinkedCell_View::RAIIMap.size() );
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| 251 | }
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| 252 | 
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