| [5344e4] | 1 | /* | 
|---|
|  | 2 | * Project: MoleCuilder | 
|---|
|  | 3 | * Description: creates and alters molecular systems | 
|---|
| [0aa122] | 4 | * Copyright (C)  2012 University of Bonn. All rights reserved. | 
|---|
| [94d5ac6] | 5 | * | 
|---|
|  | 6 | * | 
|---|
|  | 7 | *   This file is part of MoleCuilder. | 
|---|
|  | 8 | * | 
|---|
|  | 9 | *    MoleCuilder is free software: you can redistribute it and/or modify | 
|---|
|  | 10 | *    it under the terms of the GNU General Public License as published by | 
|---|
|  | 11 | *    the Free Software Foundation, either version 2 of the License, or | 
|---|
|  | 12 | *    (at your option) any later version. | 
|---|
|  | 13 | * | 
|---|
|  | 14 | *    MoleCuilder is distributed in the hope that it will be useful, | 
|---|
|  | 15 | *    but WITHOUT ANY WARRANTY; without even the implied warranty of | 
|---|
|  | 16 | *    MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE.  See the | 
|---|
|  | 17 | *    GNU General Public License for more details. | 
|---|
|  | 18 | * | 
|---|
|  | 19 | *    You should have received a copy of the GNU General Public License | 
|---|
|  | 20 | *    along with MoleCuilder.  If not, see <http://www.gnu.org/licenses/>. | 
|---|
| [5344e4] | 21 | */ | 
|---|
|  | 22 |  | 
|---|
|  | 23 | /* | 
|---|
|  | 24 | * LinkedCell_ViewUnitTest.cpp | 
|---|
|  | 25 | * | 
|---|
|  | 26 | *  Created on: Nov 18, 2011 | 
|---|
|  | 27 | *      Author: heber | 
|---|
|  | 28 | */ | 
|---|
|  | 29 |  | 
|---|
|  | 30 | // include config.h | 
|---|
|  | 31 | #ifdef HAVE_CONFIG_H | 
|---|
|  | 32 | #include <config.h> | 
|---|
|  | 33 | #endif | 
|---|
|  | 34 |  | 
|---|
|  | 35 | using namespace std; | 
|---|
|  | 36 |  | 
|---|
|  | 37 | #include <cppunit/CompilerOutputter.h> | 
|---|
|  | 38 | #include <cppunit/extensions/TestFactoryRegistry.h> | 
|---|
|  | 39 | #include <cppunit/ui/text/TestRunner.h> | 
|---|
|  | 40 |  | 
|---|
|  | 41 | #include <algorithm> | 
|---|
|  | 42 | #include <list> | 
|---|
|  | 43 |  | 
|---|
|  | 44 | #include "Box.hpp" | 
|---|
|  | 45 | #include "CodePatterns/Assert.hpp" | 
|---|
|  | 46 | #include "CodePatterns/Log.hpp" | 
|---|
|  | 47 | #include "LinearAlgebra/defs.hpp" | 
|---|
|  | 48 | #include "LinearAlgebra/RealSpaceMatrix.hpp" | 
|---|
|  | 49 | #include "LinkedCell/LinkedCell.hpp" | 
|---|
|  | 50 | #include "LinkedCell/LinkedCell_Model.hpp" | 
|---|
|  | 51 | #include "LinkedCell/LinkedCell_View.hpp" | 
|---|
|  | 52 | #include "LinkedCell/PointCloudAdaptor.hpp" | 
|---|
| [c379f9] | 53 | #include "LinkedCell/unittests/defs.hpp" | 
|---|
| [ce81e76] | 54 | #include "World.hpp" | 
|---|
|  | 55 | #include "WorldTime.hpp" | 
|---|
| [5344e4] | 56 |  | 
|---|
|  | 57 | #include "LinkedCell_ViewUnitTest.hpp" | 
|---|
|  | 58 |  | 
|---|
|  | 59 | #ifdef HAVE_TESTRUNNER | 
|---|
|  | 60 | #include "UnitTestMain.hpp" | 
|---|
|  | 61 | #endif /*HAVE_TESTRUNNER*/ | 
|---|
|  | 62 |  | 
|---|
|  | 63 | /********************************************** Test classes **************************************/ | 
|---|
|  | 64 |  | 
|---|
|  | 65 | // Registers the fixture into the 'registry' | 
|---|
|  | 66 | CPPUNIT_TEST_SUITE_REGISTRATION( LinkedCell_ViewTest ); | 
|---|
|  | 67 |  | 
|---|
|  | 68 |  | 
|---|
|  | 69 | void LinkedCell_ViewTest::setUp() | 
|---|
|  | 70 | { | 
|---|
|  | 71 | // failing asserts should be thrown | 
|---|
|  | 72 | ASSERT_DO(Assert::Throw); | 
|---|
|  | 73 |  | 
|---|
|  | 74 | //setVerbosity(3); | 
|---|
|  | 75 |  | 
|---|
|  | 76 | // create diag(20.) matrix | 
|---|
|  | 77 | RealSpaceMatrix BoxM; | 
|---|
|  | 78 | BoxM.setIdentity(); | 
|---|
|  | 79 | BoxM *= 20.; | 
|---|
|  | 80 |  | 
|---|
|  | 81 | // create Box with this matrix | 
|---|
|  | 82 | domain = new Box(BoxM); | 
|---|
|  | 83 |  | 
|---|
|  | 84 | // create LinkedCell structure with this Box | 
|---|
|  | 85 | LCImpl = new LinkedCell::LinkedCell_Model(EDGELENGTH, *domain); | 
|---|
|  | 86 |  | 
|---|
|  | 87 | // create a list of nodes and add to LCImpl | 
|---|
|  | 88 | std::vector< Vector > VectorList; | 
|---|
|  | 89 | for (size_t i=0;i<((size_t)floor(NUMBERCELLS));++i) | 
|---|
|  | 90 | VectorList.push_back(Vector((double)i*EDGELENGTH,(double)i*EDGELENGTH,(double)i*EDGELENGTH)); | 
|---|
|  | 91 | for (size_t i=0;i<VectorList.size();++i) { | 
|---|
|  | 92 | TesselPoint * Walker = new TesselPoint(); | 
|---|
|  | 93 | Walker->setName(std::string("Walker")+toString(i)); | 
|---|
|  | 94 | Walker->setPosition(VectorList[i]); | 
|---|
|  | 95 | NodeList.insert(Walker); | 
|---|
|  | 96 | LCImpl->addNode(Walker); | 
|---|
|  | 97 | } | 
|---|
|  | 98 |  | 
|---|
|  | 99 | // create LinkedCell_View from that | 
|---|
|  | 100 | LC = new LinkedCell::LinkedCell_View(*LCImpl); | 
|---|
|  | 101 | } | 
|---|
|  | 102 |  | 
|---|
|  | 103 |  | 
|---|
|  | 104 | void LinkedCell_ViewTest::tearDown() | 
|---|
|  | 105 | { | 
|---|
|  | 106 | delete LC; | 
|---|
|  | 107 | delete LCImpl; | 
|---|
|  | 108 | delete domain; | 
|---|
|  | 109 |  | 
|---|
|  | 110 | // remove all nodes again | 
|---|
|  | 111 | for (PointSet::iterator iter = NodeList.begin(); | 
|---|
|  | 112 | !NodeList.empty(); | 
|---|
|  | 113 | iter = NodeList.begin()) { | 
|---|
|  | 114 | delete *iter; | 
|---|
|  | 115 | NodeList.erase(iter); | 
|---|
|  | 116 | } | 
|---|
| [ce81e76] | 117 |  | 
|---|
|  | 118 | // delete in correct order | 
|---|
|  | 119 | World::purgeInstance(); | 
|---|
|  | 120 | WorldTime::purgeInstance(); | 
|---|
| [5344e4] | 121 | } | 
|---|
|  | 122 |  | 
|---|
|  | 123 |  | 
|---|
|  | 124 | /** UnitTest for getAllNeighbors() | 
|---|
|  | 125 | */ | 
|---|
|  | 126 | void LinkedCell_ViewTest::getAllNeighborsTest() | 
|---|
|  | 127 | { | 
|---|
|  | 128 | // define some center vector | 
|---|
|  | 129 | Vector center(DOMAINLENGTH/2.,DOMAINLENGTH/2.,DOMAINLENGTH/2.); | 
|---|
|  | 130 |  | 
|---|
|  | 131 | // get LinkedList from LC | 
|---|
|  | 132 | const double distance = 2.; | 
|---|
|  | 133 | LinkedCell::LinkedList NeighborList = LC->getAllNeighbors(distance, center); | 
|---|
|  | 134 | //  for (LinkedCell::LinkedList::const_iterator iter = NeighborList.begin(); | 
|---|
|  | 135 | //      iter != NeighborList.end(); ++iter) | 
|---|
|  | 136 | //    std::cout << **iter << " is in returned neighbor list." << std::endl; | 
|---|
|  | 137 |  | 
|---|
|  | 138 | // gather points from NodeList | 
|---|
|  | 139 | LinkedCell::LinkedList ComparisonList; | 
|---|
|  | 140 | for (PointSet::const_iterator iter = NodeList.begin(); iter != NodeList.end(); ++iter) | 
|---|
|  | 141 | if (center.DistanceSquared((*iter)->getPosition()) <= distance*distance) { | 
|---|
| [fbbcde] | 142 | ComparisonList.insert(*iter); | 
|---|
| [5344e4] | 143 | //std::cout << **iter << " is inside of " << center << " plus " << distance << "." << std::endl; | 
|---|
|  | 144 | } | 
|---|
|  | 145 | // check that we get at least as many as needed | 
|---|
|  | 146 | CPPUNIT_ASSERT(ComparisonList.size() <= NeighborList.size()); | 
|---|
|  | 147 |  | 
|---|
|  | 148 | // check element-wise and skip unrequired ones | 
|---|
|  | 149 | LinkedCell::LinkedList::iterator iter1 = ComparisonList.begin(); | 
|---|
|  | 150 | LinkedCell::LinkedList::iterator iter2 = NeighborList.begin(); | 
|---|
|  | 151 | for(;(iter1 != ComparisonList.end()) && (iter2 != NeighborList.end()); ++iter1, ++iter2) { | 
|---|
| [c8f6b6] | 152 | while (*iter1 != *iter2) { | 
|---|
|  | 153 | CPPUNIT_ASSERT( iter2 != NeighborList.end() ); | 
|---|
| [5344e4] | 154 | ++iter2; | 
|---|
| [c8f6b6] | 155 | } | 
|---|
| [5344e4] | 156 | //std::cout << **iter1 << " == " << **iter2 << std::endl; | 
|---|
|  | 157 | CPPUNIT_ASSERT( iter2 != NeighborList.end() ); | 
|---|
|  | 158 | } | 
|---|
|  | 159 | } | 
|---|
|  | 160 |  | 
|---|
|  | 161 | /** UnitTest for getPointsInsideSphere() | 
|---|
|  | 162 | */ | 
|---|
|  | 163 | void LinkedCell_ViewTest::getPointsInsideSphereTest() | 
|---|
|  | 164 | { | 
|---|
|  | 165 | // define some center vector | 
|---|
|  | 166 | Vector center(DOMAINLENGTH/2.,DOMAINLENGTH/2.,DOMAINLENGTH/2.); | 
|---|
|  | 167 |  | 
|---|
|  | 168 | // get LinkedList from LC | 
|---|
| [c8f6b6] | 169 | const double distance = 3.; | 
|---|
| [5344e4] | 170 | LinkedCell::LinkedList NeighborList = LC->getPointsInsideSphere(distance, center); | 
|---|
|  | 171 | //  for (LinkedCell::LinkedList::const_iterator iter = NeighborList.begin(); | 
|---|
|  | 172 | //      iter != NeighborList.end(); ++iter) | 
|---|
|  | 173 | //    std::cout << **iter << " is in returned restricted neighbor list." << std::endl; | 
|---|
|  | 174 |  | 
|---|
|  | 175 | // gather points from NodeList | 
|---|
|  | 176 | LinkedCell::LinkedList ComparisonList; | 
|---|
|  | 177 | for (PointSet::const_iterator iter = NodeList.begin(); iter != NodeList.end(); ++iter) | 
|---|
|  | 178 | if (center.DistanceSquared((*iter)->getPosition()) <= distance*distance) { | 
|---|
| [fbbcde] | 179 | ComparisonList.insert(*iter); | 
|---|
| [5344e4] | 180 | //std::cout << **iter << " is inside of " << center << " plus " << distance << "." << std::endl; | 
|---|
|  | 181 | } | 
|---|
|  | 182 | // check that we get at least as many as needed | 
|---|
|  | 183 | CPPUNIT_ASSERT(ComparisonList.size() == NeighborList.size()); | 
|---|
|  | 184 |  | 
|---|
|  | 185 | // check element-wise and skip unrequired ones | 
|---|
|  | 186 | LinkedCell::LinkedList::iterator iter1 = ComparisonList.begin(); | 
|---|
|  | 187 | LinkedCell::LinkedList::iterator iter2 = NeighborList.begin(); | 
|---|
|  | 188 | for(;(iter1 != ComparisonList.end()) && (iter2 != NeighborList.end()); ++iter1, ++iter2) { | 
|---|
|  | 189 | //std::cout << **iter1 << " == " << **iter2 << std::endl; | 
|---|
|  | 190 | CPPUNIT_ASSERT( *iter1 == *iter2 ); | 
|---|
|  | 191 | } | 
|---|
|  | 192 | } | 
|---|
| [9ed706] | 193 |  | 
|---|
|  | 194 |  | 
|---|
|  | 195 | LinkedCell::LinkedCell_View returnView(LinkedCell::LinkedCell_View &view) | 
|---|
|  | 196 | { | 
|---|
|  | 197 | return view; | 
|---|
|  | 198 | } | 
|---|
|  | 199 |  | 
|---|
|  | 200 | LinkedCell::LinkedCell_View returnCopiedView(LinkedCell::LinkedCell_View &view) | 
|---|
|  | 201 | { | 
|---|
|  | 202 | LinkedCell::LinkedCell_View retview(view); | 
|---|
|  | 203 | return retview; | 
|---|
|  | 204 | } | 
|---|
|  | 205 |  | 
|---|
|  | 206 | /** UnitTest on whether counting in RAIIMap works | 
|---|
|  | 207 | */ | 
|---|
|  | 208 | void LinkedCell_ViewTest::RAIIMapTest() | 
|---|
|  | 209 | { | 
|---|
|  | 210 | CPPUNIT_ASSERT_EQUAL( (size_t)1, LinkedCell::LinkedCell_View::RAIIMap.size() ); | 
|---|
|  | 211 |  | 
|---|
|  | 212 | // check that we are present | 
|---|
|  | 213 | LinkedCell::LinkedCell_View::ModelInstanceMap::iterator iter = | 
|---|
|  | 214 | LinkedCell::LinkedCell_View::RAIIMap.find(LC); | 
|---|
|  | 215 | CPPUNIT_ASSERT( iter != LinkedCell::LinkedCell_View::RAIIMap.end() ); | 
|---|
|  | 216 | CPPUNIT_ASSERT( *iter == LC ); | 
|---|
|  | 217 |  | 
|---|
|  | 218 | // check that we are the only value present | 
|---|
|  | 219 | ++iter; | 
|---|
|  | 220 | CPPUNIT_ASSERT( iter == LinkedCell::LinkedCell_View::RAIIMap.end() ); | 
|---|
|  | 221 |  | 
|---|
|  | 222 | // add another view and check that there is not assertion | 
|---|
|  | 223 | LinkedCell::LinkedCell_View *view = NULL; | 
|---|
|  | 224 | CPPUNIT_ASSERT_NO_THROW( view = new LinkedCell::LinkedCell_View(*LCImpl) ); | 
|---|
|  | 225 | CPPUNIT_ASSERT_EQUAL( (size_t)2, LinkedCell::LinkedCell_View::RAIIMap.size() ); | 
|---|
|  | 226 | delete view; | 
|---|
|  | 227 | CPPUNIT_ASSERT_EQUAL( (size_t)1, LinkedCell::LinkedCell_View::RAIIMap.size() ); | 
|---|
|  | 228 |  | 
|---|
|  | 229 | // copy current view | 
|---|
|  | 230 | { | 
|---|
|  | 231 | LinkedCell::LinkedCell_View view(*LC); | 
|---|
|  | 232 | CPPUNIT_ASSERT_EQUAL( (size_t)2, LinkedCell::LinkedCell_View::RAIIMap.size() ); | 
|---|
|  | 233 | LinkedCell::LinkedCell_View view2 = *LC; | 
|---|
|  | 234 | CPPUNIT_ASSERT_EQUAL( (size_t)3, LinkedCell::LinkedCell_View::RAIIMap.size() ); | 
|---|
|  | 235 | } | 
|---|
|  | 236 | CPPUNIT_ASSERT_EQUAL( (size_t)1, LinkedCell::LinkedCell_View::RAIIMap.size() ); | 
|---|
|  | 237 |  | 
|---|
|  | 238 | // with function returning view | 
|---|
|  | 239 | { | 
|---|
|  | 240 | LinkedCell::LinkedCell_View view = returnView(*LC); | 
|---|
|  | 241 | CPPUNIT_ASSERT_EQUAL( (size_t)2, LinkedCell::LinkedCell_View::RAIIMap.size() ); | 
|---|
|  | 242 | } | 
|---|
|  | 243 | CPPUNIT_ASSERT_EQUAL( (size_t)1, LinkedCell::LinkedCell_View::RAIIMap.size() ); | 
|---|
|  | 244 |  | 
|---|
|  | 245 | // with function returning copied view | 
|---|
|  | 246 | { | 
|---|
|  | 247 | LinkedCell::LinkedCell_View view = returnCopiedView(*LC); | 
|---|
|  | 248 | CPPUNIT_ASSERT_EQUAL( (size_t)2, LinkedCell::LinkedCell_View::RAIIMap.size() ); | 
|---|
|  | 249 | } | 
|---|
|  | 250 | CPPUNIT_ASSERT_EQUAL( (size_t)1, LinkedCell::LinkedCell_View::RAIIMap.size() ); | 
|---|
|  | 251 | } | 
|---|
|  | 252 |  | 
|---|