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 | * 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_ModelUnitTest.cpp
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10 | *
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11 | * Created on: Nov 17, 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 <list>
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27 |
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28 | #include "Box.hpp"
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29 | #include "CodePatterns/Assert.hpp"
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30 | #include "CodePatterns/Log.hpp"
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31 | #include "LinearAlgebra/RealSpaceMatrix.hpp"
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32 | #include "LinkedCell/LinkedCell.hpp"
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33 | #include "LinkedCell/LinkedCell_Model.hpp"
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34 | #include "LinkedCell/LinkedCell_Model_changeModel.hpp"
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35 | #include "LinkedCell/LinkedCell_Model_LinkedCellArrayCache.hpp"
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36 | #include "LinkedCell/LinkedCell_Model_Update.hpp"
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37 | #include "LinkedCell/PointCloudAdaptor.hpp"
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38 | #include "LinkedCell/unittests/defs.hpp"
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39 |
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40 | #include "LinkedCell_ModelUnitTest.hpp"
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41 |
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42 | #ifdef HAVE_TESTRUNNER
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43 | #include "UnitTestMain.hpp"
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44 | #endif /*HAVE_TESTRUNNER*/
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45 |
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46 | /********************************************** Test classes **************************************/
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47 |
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48 | // Registers the fixture into the 'registry'
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49 | CPPUNIT_TEST_SUITE_REGISTRATION( LinkedCell_ModelTest );
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50 |
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51 |
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52 | void LinkedCell_ModelTest::setUp()
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53 | {
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54 | // failing asserts should be thrown
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55 | ASSERT_DO(Assert::Throw);
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56 |
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57 | setVerbosity(3);
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58 |
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59 | // create diag(20.) matrix
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60 | RealSpaceMatrix BoxM;
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61 | BoxM.setIdentity();
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62 | BoxM *= DOMAINLENGTH;
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63 |
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64 | // create Box with this matrix
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65 | domain = new Box(BoxM);
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66 |
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67 | // create LinkedCell structure with this Box
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68 | LC = new LinkedCell::LinkedCell_Model(EDGELENGTH, *domain);
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69 |
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70 | // create a list of nodes and add to LCImpl
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71 | std::vector< Vector > VectorList;
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72 | for (size_t i=0;i<((size_t)floor(NUMBERCELLS));++i)
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73 | VectorList.push_back(Vector((double)i*EDGELENGTH,(double)i*EDGELENGTH,(double)i*EDGELENGTH));
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74 | for (size_t i=0;i<VectorList.size();++i) {
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75 | TesselPoint * Walker = new TesselPoint();
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76 | Walker->setName(std::string("Walker")+toString(i));
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77 | Walker->setPosition(VectorList[i]);
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78 | NodeList.insert(Walker);
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79 | }
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80 | }
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81 |
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82 |
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83 | void LinkedCell_ModelTest::tearDown()
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84 | {
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85 | delete LC;
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86 | delete domain;
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87 |
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88 | // remove all nodes again
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89 | for (PointSet::iterator iter = NodeList.begin();
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90 | !NodeList.empty();
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91 | iter = NodeList.begin()) {
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92 | delete *iter;
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93 | NodeList.erase(iter);
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94 | }
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95 | }
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96 |
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97 | /** UnitTest for correct construction
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98 | */
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99 | void LinkedCell_ModelTest::AllocationTest()
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100 | {
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101 | // check that first cell is allocated
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102 | LinkedCell::tripleIndex index;
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103 | index[0] = index[1] = index[2] = 0;
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104 | CPPUNIT_ASSERT(LC->N->getN()(index) != NULL);
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105 |
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106 | // check that very last cell is allocated
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107 | index[0] = index[1] = index[2] = (size_t)floor(NUMBERCELLS)-1;
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108 | CPPUNIT_ASSERT(LC->N->getN()(index) != NULL);
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109 |
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110 | }
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111 |
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112 | /** UnitTest for getSize()
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113 | */
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114 | void LinkedCell_ModelTest::getSizeTest()
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115 | {
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116 | // check getSize()
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117 | for(size_t i=0; i<NDIM; ++i)
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118 | CPPUNIT_ASSERT_EQUAL((LinkedCell::LinkedCellArray::index)floor(NUMBERCELLS), LC->getSize(i));
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119 | #ifndef NDEBUG
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120 | std::cout << "The following assertion is intended and is not a failure of the code." << std::endl;
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121 | CPPUNIT_ASSERT_THROW( LC->getSize(4), Assert::AssertionFailure);
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122 | #endif
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123 | }
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124 |
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125 | /** UnitTest for Reset()
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126 | */
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127 | void LinkedCell_ModelTest::ResetTest()
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128 | {
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129 | LC->Reset();
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130 |
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131 | for(size_t i=0; i<NDIM; ++i)
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132 | CPPUNIT_ASSERT_EQUAL((LinkedCell::LinkedCellArray::index)0, LC->getSize(i));
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133 | }
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134 |
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135 |
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136 | /** UnitTest for insertPointCloud()
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137 | */
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138 | void LinkedCell_ModelTest::insertPointCloudTest()
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139 | {
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140 |
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141 | // create the linked cell structure
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142 | PointCloudAdaptor< PointSet > cloud(&NodeList, std::string("NodeList"));
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143 | LC->insertPointCloud(cloud);
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144 |
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145 | // assure that we are updated before accessing internals
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146 | CPPUNIT_ASSERT_EQUAL( true, *(LC->N->UpToDate) );
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147 | // test structure
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148 | CPPUNIT_ASSERT_EQUAL(((size_t)floor(NUMBERCELLS)), LC->CellLookup.size());
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149 | LinkedCell::tripleIndex index;
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150 | for (size_t i=0;i<((size_t)floor(NUMBERCELLS));++i) {
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151 | index[0] = index[1] = index[2] = i;
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152 | // assert that in the destined cell we have one Walker
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153 | CPPUNIT_ASSERT_EQUAL((size_t)1, LC->N->getN()(index)->size());
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154 | }
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155 | index[0] = 9;
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156 | index[1] = index[2] = 0;
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157 | // assert that in the destined cell we have one Walker
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158 | CPPUNIT_ASSERT_EQUAL((size_t)0, LC->N->getN()(index)->size());
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159 |
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160 | }
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161 |
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162 | /** UnitTest for setPartition()
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163 | */
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164 | void LinkedCell_ModelTest::setPartitionTest()
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165 | {
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166 | RealSpaceMatrix Pmatrix = LC->Partition;
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167 | RealSpaceMatrix Dmatrix = LC->Dimensions;
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168 |
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169 | LC->Reset();
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170 |
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171 | LC->setPartition(2.*EDGELENGTH);
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172 |
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173 | Pmatrix *= 0.5;
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174 | Dmatrix *= 0.5;
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175 |
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176 | CPPUNIT_ASSERT_EQUAL(Pmatrix, LC->Partition);
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177 | CPPUNIT_ASSERT_EQUAL(Dmatrix, LC->Dimensions);
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178 | }
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179 |
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180 | /** UnitTest for getStep()
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181 | */
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182 | void LinkedCell_ModelTest::getStepTest()
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183 | {
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184 | // zero distance
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185 | LinkedCell::tripleIndex index = LC->getStep(0.);
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186 | for (size_t i = 0; i<NDIM; ++i)
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187 | CPPUNIT_ASSERT( (size_t)0 == index[i]);
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188 | // check all possible shells on boundary
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189 | for (double length = EDGELENGTH; length < DOMAINLENGTH; length+=EDGELENGTH) {
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190 | LinkedCell::tripleIndex index = LC->getStep(length);
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191 | for (size_t i = 0; i<NDIM; ++i) {
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192 | std::cout << (size_t)(length/EDGELENGTH) << " ==" << index[i] << std::endl;
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193 | CPPUNIT_ASSERT( (LinkedCell::LinkedCellArray::index)(length/EDGELENGTH) == index[i]);
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194 | }
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195 | }
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196 | // check all possible shells at half interval
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197 | for (double length = 0.5 * EDGELENGTH; length < DOMAINLENGTH; length+=EDGELENGTH) {
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198 | LinkedCell::tripleIndex index = LC->getStep(length);
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199 | for (size_t i = 0; i<NDIM; ++i)
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200 | CPPUNIT_ASSERT( (LinkedCell::LinkedCellArray::index)ceil(length/EDGELENGTH) == index[i]);
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201 | }
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202 | }
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203 |
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204 | /** UnitTest for getIndexToVector()
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205 | */
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206 | void LinkedCell_ModelTest::getIndexToVectorTest()
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207 | {
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208 | {
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209 | const Vector test(0.,0.,0.);
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210 | const LinkedCell::tripleIndex index = LC->getIndexToVector(test);
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211 | for (size_t i = 0; i<NDIM; ++i)
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212 | CPPUNIT_ASSERT( (size_t)0 == index[i]);
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213 | }
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214 | {
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215 | const Vector test(DOMAINLENGTH/2.,DOMAINLENGTH/2.,DOMAINLENGTH/2.);
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216 | const LinkedCell::tripleIndex index = LC->getIndexToVector(test);
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217 | for (size_t i = 0; i<NDIM; ++i)
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218 | CPPUNIT_ASSERT( (size_t)floor(DOMAINLENGTH/EDGELENGTH/2.) == index[i]);
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219 | }
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220 | {
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221 | const Vector test(DOMAINLENGTH/2.,DOMAINLENGTH/3.,DOMAINLENGTH/4.);
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222 | const LinkedCell::tripleIndex index = LC->getIndexToVector(test);
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223 | for (size_t i = 0; i<NDIM; ++i)
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224 | CPPUNIT_ASSERT( (LinkedCell::LinkedCellArray::index)floor(DOMAINLENGTH/EDGELENGTH/(double)(i+2.)) == index[i]);
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225 | }
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226 | }
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227 |
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228 | /** UnitTest for updating nodes
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229 | */
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230 | void LinkedCell_ModelTest::nodeTest()
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231 | {
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232 | // create point
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233 | TesselPoint * Walker = new TesselPoint();
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234 | Walker->setName(std::string("Walker9"));
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235 | Walker->setPosition(Vector(9.8,7.6,5.4));
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236 | PointCloudAdaptor< PointSet > cloud(&NodeList, std::string("NodeList"));
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237 | LC->insertPointCloud(cloud);
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238 |
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239 | // check addNode
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240 | {
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241 | LC->addNode(Walker);
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242 | // assure that we are updated before accessing internals
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243 | CPPUNIT_ASSERT_EQUAL( true, *(LC->N->UpToDate) );
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244 | CPPUNIT_ASSERT_EQUAL( NodeList.size()+1, LC->CellLookup.size());
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245 | LinkedCell::tripleIndex index1 = LC->getIndexToVector(Walker->getPosition());
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246 | const LinkedCell::tripleIndex &index2 = LC->CellLookup[Walker]->getIndices();
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247 | CPPUNIT_ASSERT(index1 == index2);
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248 | }
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249 |
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250 | // check moveNode
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251 | {
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252 | LinkedCell::tripleIndex index1 = LC->getIndexToVector(Walker->getPosition());
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253 | const LinkedCell::tripleIndex &index2 = LC->CellLookup[Walker]->getIndices();
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254 | Walker->setPosition(Vector(0.,0.,0.));
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255 | LinkedCell::tripleIndex newindex1 = LC->getIndexToVector(Walker->getPosition());
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256 | CPPUNIT_ASSERT( index1 != newindex1);
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257 | // we have to call moveNode ourselves, as we have just added TesselPoints, not via World
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258 | LC->moveNode(Walker);
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259 | // assure that we are updated before accessing internals
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260 | CPPUNIT_ASSERT_EQUAL( true, *(LC->N->UpToDate) );
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261 | const LinkedCell::tripleIndex &newindex2 = LC->CellLookup[Walker]->getIndices();
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262 | CPPUNIT_ASSERT( index2 != newindex2);
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263 | }
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264 |
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265 | // check deleteNode
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266 | {
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267 | LC->deleteNode(Walker);
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268 | // assure that we are updated before accessing internals
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269 | CPPUNIT_ASSERT_EQUAL( true, *(LC->N->UpToDate) );
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270 | CPPUNIT_ASSERT_EQUAL( NodeList.size(), LC->CellLookup.size());
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271 | }
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272 |
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273 | delete Walker;
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274 | }
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275 |
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276 | /** UnitTest whether lazy updates are working.
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277 | */
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278 | void LinkedCell_ModelTest::lazyUpdatesTest()
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279 | {
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280 | // create point
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281 | TesselPoint * Walker = new TesselPoint();
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282 | Walker->setName(std::string("Walker9"));
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283 | Walker->setPosition(Vector(9.8,7.6,5.4));
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284 | TesselPoint * Walker2 = new TesselPoint();
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285 | Walker2->setName(std::string("Walker10"));
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286 | Walker2->setPosition(Vector(9.8,7.6,5.4));
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287 | PointCloudAdaptor< PointSet > cloud(&NodeList, std::string("NodeList"));
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288 | LC->insertPointCloud(cloud);
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289 |
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290 | // initial read operation
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291 | {
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292 | CPPUNIT_ASSERT( !NodeList.empty() );
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293 | LinkedCell::tripleIndex index = LC->getIndexToVector((*NodeList.begin())->getPosition());
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294 | const size_t size = LC->N->getN()(index)->size(); // this will cause the update
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295 | CPPUNIT_ASSERT( size >= (size_t)1 );
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296 | }
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297 |
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298 | // do some write ops
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299 | LC->addNode(Walker);
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300 | LC->addNode(Walker2);
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301 | CPPUNIT_ASSERT( LC->Changes->queue.find(Walker) != LC->Changes->queue.end() );
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302 | LinkedCell::LinkedCell_Model::Update *update = LC->Changes->queue[Walker];
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303 | Walker->setPosition(Vector(0.,0.,0.));
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304 | LC->moveNode(Walker);
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305 |
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306 | // check that they all reside in cache and nothing is changed so far
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307 | CPPUNIT_ASSERT( LC->Changes->queue.size() > (size_t)0 );
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308 |
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309 | // check that add priority is prefered over move
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310 | CPPUNIT_ASSERT( LC->Changes->queue[Walker] == update );
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311 |
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312 | // perform read op
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313 | {
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314 | LinkedCell::tripleIndex index = LC->getIndexToVector(Walker->getPosition());
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315 | CPPUNIT_ASSERT( LC->N->getN()(index)->size() >= (size_t)1 );
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316 | }
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317 |
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318 | // check that cache is emptied
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319 | CPPUNIT_ASSERT( LC->Changes->queue.size() == (size_t)0 );
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320 |
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321 | delete Walker;
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322 | delete Walker2;
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323 | }
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