| 1 | /* | 
|---|
| 2 | * Project: MoleCuilder | 
|---|
| 3 | * Description: creates and alters molecular systems | 
|---|
| 4 | * Copyright (C)  2011 University of Bonn. All rights reserved. | 
|---|
| 5 | * Please see the LICENSE file or "Copyright notice" in builder.cpp for details. | 
|---|
| 6 | */ | 
|---|
| 7 |  | 
|---|
| 8 | /* | 
|---|
| 9 | * LinkedCell_ViewUnitTest.cpp | 
|---|
| 10 | * | 
|---|
| 11 | *  Created on: Nov 18, 2011 | 
|---|
| 12 | *      Author: heber | 
|---|
| 13 | */ | 
|---|
| 14 |  | 
|---|
| 15 | // include config.h | 
|---|
| 16 | #ifdef HAVE_CONFIG_H | 
|---|
| 17 | #include <config.h> | 
|---|
| 18 | #endif | 
|---|
| 19 |  | 
|---|
| 20 | using namespace std; | 
|---|
| 21 |  | 
|---|
| 22 | #include <cppunit/CompilerOutputter.h> | 
|---|
| 23 | #include <cppunit/extensions/TestFactoryRegistry.h> | 
|---|
| 24 | #include <cppunit/ui/text/TestRunner.h> | 
|---|
| 25 |  | 
|---|
| 26 | #include <algorithm> | 
|---|
| 27 | #include <list> | 
|---|
| 28 |  | 
|---|
| 29 | #include "Box.hpp" | 
|---|
| 30 | #include "CodePatterns/Assert.hpp" | 
|---|
| 31 | #include "CodePatterns/Log.hpp" | 
|---|
| 32 | #include "LinearAlgebra/defs.hpp" | 
|---|
| 33 | #include "LinearAlgebra/RealSpaceMatrix.hpp" | 
|---|
| 34 | #include "LinkedCell/LinkedCell.hpp" | 
|---|
| 35 | #include "LinkedCell/LinkedCell_Model.hpp" | 
|---|
| 36 | #include "LinkedCell/LinkedCell_View.hpp" | 
|---|
| 37 | #include "LinkedCell/PointCloudAdaptor.hpp" | 
|---|
| 38 | #include "LinkedCell/unittests/defs.hpp" | 
|---|
| 39 |  | 
|---|
| 40 | #include "LinkedCell_ViewUnitTest.hpp" | 
|---|
| 41 |  | 
|---|
| 42 | #ifdef HAVE_TESTRUNNER | 
|---|
| 43 | #include "UnitTestMain.hpp" | 
|---|
| 44 | #endif /*HAVE_TESTRUNNER*/ | 
|---|
| 45 |  | 
|---|
| 46 | /********************************************** Test classes **************************************/ | 
|---|
| 47 |  | 
|---|
| 48 | // Registers the fixture into the 'registry' | 
|---|
| 49 | CPPUNIT_TEST_SUITE_REGISTRATION( LinkedCell_ViewTest ); | 
|---|
| 50 |  | 
|---|
| 51 |  | 
|---|
| 52 | void LinkedCell_ViewTest::setUp() | 
|---|
| 53 | { | 
|---|
| 54 | // failing asserts should be thrown | 
|---|
| 55 | ASSERT_DO(Assert::Throw); | 
|---|
| 56 |  | 
|---|
| 57 | //setVerbosity(3); | 
|---|
| 58 |  | 
|---|
| 59 | // create diag(20.) matrix | 
|---|
| 60 | RealSpaceMatrix BoxM; | 
|---|
| 61 | BoxM.setIdentity(); | 
|---|
| 62 | BoxM *= 20.; | 
|---|
| 63 |  | 
|---|
| 64 | // create Box with this matrix | 
|---|
| 65 | domain = new Box(BoxM); | 
|---|
| 66 |  | 
|---|
| 67 | // create LinkedCell structure with this Box | 
|---|
| 68 | LCImpl = new LinkedCell::LinkedCell_Model(EDGELENGTH, *domain); | 
|---|
| 69 |  | 
|---|
| 70 | // create a list of nodes and add to LCImpl | 
|---|
| 71 | std::vector< Vector > VectorList; | 
|---|
| 72 | for (size_t i=0;i<((size_t)floor(NUMBERCELLS));++i) | 
|---|
| 73 | VectorList.push_back(Vector((double)i*EDGELENGTH,(double)i*EDGELENGTH,(double)i*EDGELENGTH)); | 
|---|
| 74 | for (size_t i=0;i<VectorList.size();++i) { | 
|---|
| 75 | TesselPoint * Walker = new TesselPoint(); | 
|---|
| 76 | Walker->setName(std::string("Walker")+toString(i)); | 
|---|
| 77 | Walker->setPosition(VectorList[i]); | 
|---|
| 78 | NodeList.insert(Walker); | 
|---|
| 79 | LCImpl->addNode(Walker); | 
|---|
| 80 | } | 
|---|
| 81 |  | 
|---|
| 82 | // create LinkedCell_View from that | 
|---|
| 83 | LC = new LinkedCell::LinkedCell_View(*LCImpl); | 
|---|
| 84 | } | 
|---|
| 85 |  | 
|---|
| 86 |  | 
|---|
| 87 | void LinkedCell_ViewTest::tearDown() | 
|---|
| 88 | { | 
|---|
| 89 | delete LC; | 
|---|
| 90 | delete LCImpl; | 
|---|
| 91 | delete domain; | 
|---|
| 92 |  | 
|---|
| 93 | // remove all nodes again | 
|---|
| 94 | for (PointSet::iterator iter = NodeList.begin(); | 
|---|
| 95 | !NodeList.empty(); | 
|---|
| 96 | iter = NodeList.begin()) { | 
|---|
| 97 | delete *iter; | 
|---|
| 98 | NodeList.erase(iter); | 
|---|
| 99 | } | 
|---|
| 100 | } | 
|---|
| 101 |  | 
|---|
| 102 |  | 
|---|
| 103 | /** UnitTest for getAllNeighbors() | 
|---|
| 104 | */ | 
|---|
| 105 | void LinkedCell_ViewTest::getAllNeighborsTest() | 
|---|
| 106 | { | 
|---|
| 107 | // define some center vector | 
|---|
| 108 | Vector center(DOMAINLENGTH/2.,DOMAINLENGTH/2.,DOMAINLENGTH/2.); | 
|---|
| 109 |  | 
|---|
| 110 | // get LinkedList from LC | 
|---|
| 111 | const double distance = 2.; | 
|---|
| 112 | LinkedCell::LinkedList NeighborList = LC->getAllNeighbors(distance, center); | 
|---|
| 113 | //  for (LinkedCell::LinkedList::const_iterator iter = NeighborList.begin(); | 
|---|
| 114 | //      iter != NeighborList.end(); ++iter) | 
|---|
| 115 | //    std::cout << **iter << " is in returned neighbor list." << std::endl; | 
|---|
| 116 |  | 
|---|
| 117 | // gather points from NodeList | 
|---|
| 118 | LinkedCell::LinkedList ComparisonList; | 
|---|
| 119 | for (PointSet::const_iterator iter = NodeList.begin(); iter != NodeList.end(); ++iter) | 
|---|
| 120 | if (center.DistanceSquared((*iter)->getPosition()) <= distance*distance) { | 
|---|
| 121 | ComparisonList.push_back(*iter); | 
|---|
| 122 | //std::cout << **iter << " is inside of " << center << " plus " << distance << "." << std::endl; | 
|---|
| 123 | } | 
|---|
| 124 | // check that we get at least as many as needed | 
|---|
| 125 | CPPUNIT_ASSERT(ComparisonList.size() <= NeighborList.size()); | 
|---|
| 126 |  | 
|---|
| 127 | // sort lists to ease comparison | 
|---|
| 128 | ComparisonList.sort(); | 
|---|
| 129 | NeighborList.sort(); | 
|---|
| 130 |  | 
|---|
| 131 | // check element-wise and skip unrequired ones | 
|---|
| 132 | LinkedCell::LinkedList::iterator iter1 = ComparisonList.begin(); | 
|---|
| 133 | LinkedCell::LinkedList::iterator iter2 = NeighborList.begin(); | 
|---|
| 134 | for(;(iter1 != ComparisonList.end()) && (iter2 != NeighborList.end()); ++iter1, ++iter2) { | 
|---|
| 135 | while (*iter1 != *iter2) | 
|---|
| 136 | ++iter2; | 
|---|
| 137 | //std::cout << **iter1 << " == " << **iter2 << std::endl; | 
|---|
| 138 | CPPUNIT_ASSERT( iter2 != NeighborList.end() ); | 
|---|
| 139 | } | 
|---|
| 140 | } | 
|---|
| 141 |  | 
|---|
| 142 | /** UnitTest for getPointsInsideSphere() | 
|---|
| 143 | */ | 
|---|
| 144 | void LinkedCell_ViewTest::getPointsInsideSphereTest() | 
|---|
| 145 | { | 
|---|
| 146 | // define some center vector | 
|---|
| 147 | Vector center(DOMAINLENGTH/2.,DOMAINLENGTH/2.,DOMAINLENGTH/2.); | 
|---|
| 148 |  | 
|---|
| 149 | // get LinkedList from LC | 
|---|
| 150 | const double distance = 2.; | 
|---|
| 151 | LinkedCell::LinkedList NeighborList = LC->getPointsInsideSphere(distance, center); | 
|---|
| 152 | //  for (LinkedCell::LinkedList::const_iterator iter = NeighborList.begin(); | 
|---|
| 153 | //      iter != NeighborList.end(); ++iter) | 
|---|
| 154 | //    std::cout << **iter << " is in returned restricted neighbor list." << std::endl; | 
|---|
| 155 |  | 
|---|
| 156 | // gather points from NodeList | 
|---|
| 157 | LinkedCell::LinkedList ComparisonList; | 
|---|
| 158 | for (PointSet::const_iterator iter = NodeList.begin(); iter != NodeList.end(); ++iter) | 
|---|
| 159 | if (center.DistanceSquared((*iter)->getPosition()) <= distance*distance) { | 
|---|
| 160 | ComparisonList.push_back(*iter); | 
|---|
| 161 | //std::cout << **iter << " is inside of " << center << " plus " << distance << "." << std::endl; | 
|---|
| 162 | } | 
|---|
| 163 | // check that we get at least as many as needed | 
|---|
| 164 | CPPUNIT_ASSERT(ComparisonList.size() == NeighborList.size()); | 
|---|
| 165 |  | 
|---|
| 166 | // sort lists to ease comparison | 
|---|
| 167 | ComparisonList.sort(); | 
|---|
| 168 | NeighborList.sort(); | 
|---|
| 169 |  | 
|---|
| 170 | // check element-wise and skip unrequired ones | 
|---|
| 171 | LinkedCell::LinkedList::iterator iter1 = ComparisonList.begin(); | 
|---|
| 172 | LinkedCell::LinkedList::iterator iter2 = NeighborList.begin(); | 
|---|
| 173 | for(;(iter1 != ComparisonList.end()) && (iter2 != NeighborList.end()); ++iter1, ++iter2) { | 
|---|
| 174 | //std::cout << **iter1 << " == " << **iter2 << std::endl; | 
|---|
| 175 | CPPUNIT_ASSERT( *iter1 == *iter2 ); | 
|---|
| 176 | } | 
|---|
| 177 | } | 
|---|