| [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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| [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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| [5344e4] | 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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| [c379f9] | 53 | #include "LinkedCell/unittests/defs.hpp"
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| [ce81e76] | 54 | #include "World.hpp"
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 | 55 | #include "WorldTime.hpp"
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| [5344e4] | 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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| [ce81e76] | 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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| [5344e4] | 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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| [fbbcde] | 142 |       ComparisonList.insert(*iter);
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| [5344e4] | 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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| [c8f6b6] | 152 |     while (*iter1 != *iter2) {
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 | 153 |       CPPUNIT_ASSERT( iter2 != NeighborList.end() );
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| [5344e4] | 154 |       ++iter2;
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| [c8f6b6] | 155 |     }
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| [5344e4] | 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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| [c8f6b6] | 169 |   const double distance = 3.;
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| [5344e4] | 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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| [fbbcde] | 179 |       ComparisonList.insert(*iter);
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| [5344e4] | 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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| [9ed706] | 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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