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) 2010-2012 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 | * Tesselation_InsideOutsideUnitTest.cpp
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10 | *
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11 | * Created on: Dec 28, 2009
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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 <cstring>
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27 | #include <iostream>
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28 |
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29 | #include "Atom/TesselPoint.hpp"
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30 | #include "CodePatterns/Log.hpp"
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31 | #include "Helpers/defs.hpp"
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32 | #include "LinearAlgebra/RealSpaceMatrix.hpp"
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33 | #include "LinkedCell/PointCloudAdaptor.hpp"
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34 | #include "Tesselation/BoundaryLineSet.hpp"
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35 | #include "Tesselation/BoundaryTriangleSet.hpp"
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36 | #include "Tesselation/CandidateForTesselation.hpp"
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37 | #include "Tesselation/tesselation.hpp"
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38 |
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39 | #include "Tesselation_InsideOutsideUnitTest.hpp"
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40 |
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41 | #ifdef HAVE_TESTRUNNER
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42 | #include "UnitTestMain.hpp"
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43 | #endif /*HAVE_TESTRUNNER*/
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44 |
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45 | /********************************************** Test classes **************************************/
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46 |
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47 | // Registers the fixture into the 'registry'
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48 | CPPUNIT_TEST_SUITE_REGISTRATION( TesselationInOutsideTest );
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49 |
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50 | /** Creates TesselPoints out of given Vector's.
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51 | *
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52 | * @param Vectors given vector with Vector's as positions for TesselPoint's
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53 | */
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54 | void TesselationInOutsideTest::prepareCorners(const std::vector<Vector> &Vectors)
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55 | {
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56 | class TesselPoint *Walker;
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57 | size_t index = 0;
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58 | for (std::vector<Vector>::const_iterator iter = Vectors.begin();
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59 | iter != Vectors.end(); ++iter) {
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60 | Walker = new TesselPoint;
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61 | Walker->setPosition( *iter );
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62 | Walker->setNr(index++);
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63 | Walker->setName(toString(index)); // yes, name is one higher than index
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64 | Corners.push_back(Walker);
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65 | }
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66 | }
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67 |
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68 | /** Prepares Vector's in such a way that the mesh forms a cube.
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69 | *
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70 | * @param vectors vector of Vector's to work on
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71 | * @param factor factor to expand mesh
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72 | * @param offset offset to translate mesh
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73 | * @param return vector for concatenation
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74 | */
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75 | std::vector<Vector> TesselationInOutsideTest::translateAndexpand(
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76 | VECTORSET(std::vector) Vectors, const double factor, const Vector &offset) const
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77 | {
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78 | RealSpaceMatrix M;
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79 | M.setIdentity();
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80 | M *= factor;
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81 | Vectors.transform(M);
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82 | Vectors.translate(offset);
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83 | return Vectors;
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84 | }
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85 |
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86 | /** Prepares Vector's in such a way that the mesh forms a cube.
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87 | *
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88 | */
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89 | std::vector<Vector> TesselationInOutsideTest::setupCube() const
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90 | {
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91 | std::vector<Vector> returnVectors;
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92 | returnVectors.push_back( Vector(0., 0., 0.) );
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93 | returnVectors.push_back( Vector(0., 1., 0.) );
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94 | returnVectors.push_back( Vector(1., 0., 0.) );
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95 | returnVectors.push_back( Vector(1., 1., 0.) );
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96 | returnVectors.push_back( Vector(0., 0., 1.) );
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97 | returnVectors.push_back( Vector(0., 1., 1.) );
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98 | returnVectors.push_back( Vector(1., 0., 1.) );
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99 | returnVectors.push_back( Vector(1., 1., 1.) );
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100 | return returnVectors;
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101 | }
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102 |
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103 | /** Prepares Vector's in such a way that the mesh forms a sphere.
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104 | *
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105 | */
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106 | std::vector<Vector> TesselationInOutsideTest::setupSphere() const
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107 | {
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108 | std::vector<Vector> returnVectors;
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109 | // start with a cube
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110 | returnVectors.push_back( Vector(0., 0., 0.) );
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111 | returnVectors.push_back( Vector(0., 1., 0.) );
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112 | returnVectors.push_back( Vector(1., 0., 0.) );
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113 | returnVectors.push_back( Vector(1., 1., 0.) );
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114 | returnVectors.push_back( Vector(0., 0., 1.) );
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115 | returnVectors.push_back( Vector(0., 1., 1.) );
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116 | returnVectors.push_back( Vector(1., 0., 1.) );
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117 | returnVectors.push_back( Vector(1., 1., 1.) );
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118 | // then add a point slightly above each face
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119 | returnVectors.push_back( Vector(0.5, 0.5, -0.4142136) );
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120 | returnVectors.push_back( Vector(0.5, 0.5, 1.4142136) );
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121 | returnVectors.push_back( Vector(0.5, -0.4142136, 0.5) );
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122 | returnVectors.push_back( Vector(0.5, 1.4142136, 0.5) );
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123 | returnVectors.push_back( Vector(-0.4142136, 0.5, 0.5) );
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124 | returnVectors.push_back( Vector(1.4142136, 0.5, 0.5) );
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125 | return returnVectors;
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126 | }
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127 |
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128 | /** Prepares Vector's in such a way that the mesh forms a nonconvex form.
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129 | *
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130 | */
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131 | std::vector<Vector> TesselationInOutsideTest::setupNonConvex() const
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132 | {
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133 | std::vector<Vector> returnVectors;
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134 | // make an along the x-axis elongated cuboid
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135 | returnVectors.push_back( Vector(0., 0., 0.) );
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136 | returnVectors.push_back( Vector(0., 1., 0.) );
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137 | returnVectors.push_back( Vector(2., 0., 0.) );
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138 | returnVectors.push_back( Vector(2., 1., 0.) );
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139 | returnVectors.push_back( Vector(0., 0., 1.) );
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140 | returnVectors.push_back( Vector(0., 1., 1.) );
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141 | returnVectors.push_back( Vector(2., 0., 1.) );
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142 | returnVectors.push_back( Vector(2., 1., 1.) );
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143 | // add two lowered points in the middle of the elongation
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144 | returnVectors.push_back( Vector(1., 0.5, 0.) );
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145 | returnVectors.push_back( Vector(1., 0.5, 1.) );
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146 | returnVectors.push_back( Vector(1., 0., 0.) );
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147 | returnVectors.push_back( Vector(1., 0., 1.) );
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148 | return returnVectors;
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149 | }
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150 |
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151 | /** Creates the tesselation out of current setup in \a Corners.
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152 | *
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153 | */
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154 | void TesselationInOutsideTest::prepareTesselation(const double SPHERERADIUS)
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155 | {
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156 | // create LinkedCell
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157 | PointCloudAdaptor< TesselPointSTLList > cloud(&Corners, "TesselPointSTLList");
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158 | LinkedList = new LinkedCell_deprecated(cloud, 2.*SPHERERADIUS);
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159 |
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160 | // create tesselation
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161 | TesselStruct = new Tesselation;
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162 | (*TesselStruct)(cloud, SPHERERADIUS);
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163 | }
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164 |
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165 | /** Removes any currently present tesselation.
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166 | *
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167 | */
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168 | void TesselationInOutsideTest::removeTesselation()
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169 | {
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170 | delete LinkedList;
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171 | delete TesselStruct;
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172 | for (TesselPointSTLList::iterator Runner = Corners.begin(); Runner != Corners.end(); Runner++)
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173 | delete *Runner;
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174 |
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175 | LinkedList = NULL;
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176 | TesselStruct = NULL;
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177 | }
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178 |
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179 | void TesselationInOutsideTest::setUp()
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180 | {
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181 | setVerbosity(6);
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182 | }
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183 |
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184 | void TesselationInOutsideTest::tearDown()
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185 | {
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186 | removeTesselation();
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187 | Corners.clear();
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188 | logger::purgeInstance();
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189 | errorLogger::purgeInstance();
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190 | }
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191 |
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192 | /** UnitTest for Tesselation::IsInnerPoint() with a cube mesh
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193 | */
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194 | void TesselationInOutsideTest::IsInnerPointCubeTest()
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195 | {
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196 | {
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197 | const double SPHERERADIUS = 2.;
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198 | prepareCorners( translateAndexpand( setupCube(), 1., Vector(0.,0.,0.)) );
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199 | prepareTesselation(SPHERERADIUS);
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200 | CPPUNIT_ASSERT( TesselStruct != NULL );
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201 | PointCloudAdaptor< TesselPointSTLList > cloud(&Corners, "TesselPointSTLList");
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202 | TesselStruct->Output("cube", cloud);
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203 | double n[3];
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204 | const double boundary = 2.;
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205 | const double step = 1.;
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206 | // go through the cube and check each point
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207 | for (n[0] = -boundary; n[0] <= boundary; n[0]+=step)
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208 | for (n[1] = -boundary; n[1] <= boundary; n[1]+=step)
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209 | for (n[2] = -boundary; n[2] <= boundary; n[2]+=step) {
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210 | const Vector testPoint(n[0], n[1], n[2]);
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211 | if ( ((n[0] >= 0.) && (n[1] >= 0.) && (n[2] >= 0.)) && ((n[0] <= 1.) && (n[1] <= 1.) && (n[2] <= 1.)))
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212 | CPPUNIT_ASSERT_EQUAL( true , TesselStruct->IsInnerPoint(testPoint, LinkedList) );
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213 | else
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214 | CPPUNIT_ASSERT_EQUAL( false , TesselStruct->IsInnerPoint(testPoint, LinkedList) );
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215 | }
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216 | }
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217 | }
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218 |
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219 | /** UnitTest for Tesselation::IsInnerPoint() with a sphere mesh
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220 | */
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221 | void TesselationInOutsideTest::IsInnerPointSphereTest()
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222 | {
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223 | {
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224 | // with radius 2, we see the opposite point which causes FindStartingTriangle() to fail
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225 | const double SPHERERADIUS = 1.;
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226 | const Vector offset(0.5,0.5,0.5);
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227 | const double factor = 1.;
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228 | prepareCorners( translateAndexpand( setupSphere(), factor, offset) );
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229 | prepareTesselation(SPHERERADIUS);
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230 | CPPUNIT_ASSERT( TesselStruct != NULL );
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231 | double n[3];
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232 | const double boundary = 2.;
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233 | const double step = 1.;
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234 | const std::vector<bool> test(1, true);
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235 | const Vector SphereCenter( Vector(0.5,0.5,0.5) + offset );
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236 | const double SphereRadius = (Vector(0.,0.,0.)+offset - SphereCenter).Norm();
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237 | // go through the cube and check each point
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238 | for (n[0] = -boundary; n[0] <= boundary; n[0]+=step)
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239 | for (n[1] = -boundary; n[1] <= boundary; n[1]+=step)
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240 | for (n[2] = -boundary; n[2] <= boundary; n[2]+=step) {
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241 | const Vector testPoint(n[0], n[1], n[2]);
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242 | // radius is actually 2. but we simply avoid the corners in this test
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243 | if ( testPoint.DistanceSquared(SphereCenter) <= factor*SphereRadius ) {
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244 | LOG(1, "INFO: Testing whether " << testPoint << " is an inner point.");
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245 | CPPUNIT_ASSERT_EQUAL( true , TesselStruct->IsInnerPoint(testPoint, LinkedList) );
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246 | } else {
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247 | LOG(1, "INFO: Testing whether " << testPoint << " is not an inner point.");
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248 | CPPUNIT_ASSERT_EQUAL( false , TesselStruct->IsInnerPoint(testPoint, LinkedList) );
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249 | }
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250 | }
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251 | }
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252 | }
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253 |
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254 | /** UnitTest for Tesselation::IsInnerPoint() with a non-convex mesh
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255 | */
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256 | void TesselationInOutsideTest::IsInnerPointNonConvexTest()
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257 | {
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258 | {
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259 | const double SPHERERADIUS = 1.;
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260 | prepareCorners( translateAndexpand( setupNonConvex(), 1., Vector(0.,0.,0.)) );
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261 | prepareTesselation(SPHERERADIUS);
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262 | CPPUNIT_ASSERT( TesselStruct != NULL );
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263 | double n[3];
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264 | const double boundary = 4.;
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265 | const double step = 1.;
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266 | // go through the cube and check each point
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267 | for (n[0] = -boundary; n[0] <= boundary; n[0]+=step)
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268 | for (n[1] = -boundary; n[1] <= boundary; n[1]+=step)
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269 | for (n[2] = -boundary; n[2] <= boundary; n[2]+=step) {
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270 | const Vector testPoint(n[0], n[1], n[2]);
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271 | if ( ((n[0] >= 0.) && (n[1] >= 0.) && (n[2] >= 0.)) && ((n[0] <= 2.) && (n[1] <= .5) && (n[2] <= 1.))) {
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272 | // (y) lower half of elongated block
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273 | LOG(1, "INFO: Testing whether " << testPoint << " is an inner point.");
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274 | CPPUNIT_ASSERT_EQUAL( true , TesselStruct->IsInnerPoint(testPoint, LinkedList) );
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275 | } else if ( ((n[0] >= 0.) && (n[1] >= 0.5) && (n[2] >= 0.)) && ((n[0] <= 2.) && (n[1] <= 1.) && (n[2] <= 1.))) {
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276 | // (y) upper half of elongated block
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277 | if ( ((n[0] >= 0.) && (n[1] >= 0.5) && (n[2] >= 0.)) && ((n[0] <= 1.) && (n[1] <= 1.) && (n[2] <= 1.))) {
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278 | // (x) left side
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279 | if (n[0]+n[1] <= 1.) {
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280 | LOG(1, "INFO: Testing whether " << testPoint << " is an inner point.");
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281 | CPPUNIT_ASSERT_EQUAL( true , TesselStruct->IsInnerPoint(testPoint, LinkedList) );
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282 | } else {
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283 | LOG(1, "INFO: Testing whether " << testPoint << " is not an inner point.");
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284 | CPPUNIT_ASSERT_EQUAL( false , TesselStruct->IsInnerPoint(testPoint, LinkedList) );
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285 | }
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286 | } else {
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287 | // (x) right side)
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288 | if ((1.-n[0])+n[1] <= 1.) {
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289 | LOG(1, "INFO: Testing whether " << testPoint << " is an inner point.");
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290 | CPPUNIT_ASSERT_EQUAL( true , TesselStruct->IsInnerPoint(testPoint, LinkedList) );
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291 | } else {
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292 | LOG(1, "INFO: Testing whether " << testPoint << " is not an inner point.");
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293 | CPPUNIT_ASSERT_EQUAL( false , TesselStruct->IsInnerPoint(testPoint, LinkedList) );
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294 | }
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295 | }
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296 | } else {
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297 | LOG(1, "INFO: Testing whether " << testPoint << " is not an inner point.");
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298 | CPPUNIT_ASSERT_EQUAL( false , TesselStruct->IsInnerPoint(testPoint, LinkedList) );
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299 | }
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300 | }
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301 | }
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302 | }
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