| 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 |  * 
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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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| 21 |  */
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| 22 | 
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| 23 | /*
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| 24 |  * Tesselation_InsideOutsideUnitTest.cpp
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| 25 |  *
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| 26 |  *  Created on: Dec 28, 2009
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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 <cstring>
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| 42 | #include <iostream>
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| 43 | 
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| 44 | #include "Atom/TesselPoint.hpp"
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| 45 | #include "CodePatterns/Log.hpp"
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| 46 | #include "Helpers/defs.hpp"
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| 47 | #include "LinearAlgebra/RealSpaceMatrix.hpp"
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| 48 | #include "LinkedCell/PointCloudAdaptor.hpp"
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| 49 | #include "Tesselation/BoundaryLineSet.hpp"
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| 50 | #include "Tesselation/BoundaryTriangleSet.hpp"
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| 51 | #include "Tesselation/CandidateForTesselation.hpp"
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| 52 | #include "Tesselation/tesselation.hpp"
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| 53 | 
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| 54 | #include "Tesselation_InsideOutsideUnitTest.hpp"
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| 55 | 
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| 56 | #ifdef HAVE_TESTRUNNER
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| 57 | #include "UnitTestMain.hpp"
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| 58 | #endif /*HAVE_TESTRUNNER*/
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| 59 | 
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| 60 | /********************************************** Test classes **************************************/
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| 61 | 
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| 62 | // Registers the fixture into the 'registry'
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| 63 | CPPUNIT_TEST_SUITE_REGISTRATION( TesselationInOutsideTest );
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| 64 | 
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| 65 | /** Creates TesselPoints out of given Vector's.
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| 66 |  *
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| 67 |  * @param Vectors given vector with Vector's as positions for TesselPoint's
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| 68 |  */
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| 69 | void TesselationInOutsideTest::prepareCorners(const std::vector<Vector> &Vectors)
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| 70 | {
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| 71 |   class TesselPoint *Walker;
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| 72 |   size_t index = 0;
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| 73 |   for (std::vector<Vector>::const_iterator iter = Vectors.begin();
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| 74 |       iter != Vectors.end(); ++iter) {
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| 75 |     Walker = new TesselPoint;
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| 76 |     Walker->setPosition( *iter );
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| 77 |     Walker->setNr(index++);
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| 78 |     Walker->setName(toString(index)); // yes, name is one higher than index
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| 79 |     Corners.push_back(Walker);
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| 80 |   }
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| 81 | }
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| 82 | 
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| 83 | /** Prepares Vector's in such a way that the mesh forms a cube.
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| 84 |  *
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| 85 |  * @param vectors vector of Vector's to work on
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| 86 |  * @param factor factor to expand mesh
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| 87 |  * @param offset offset to translate mesh
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| 88 |  * @param return vector for concatenation
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| 89 |  */
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| 90 | std::vector<Vector> TesselationInOutsideTest::translateAndexpand(
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| 91 |     VECTORSET(std::vector) Vectors, const double factor, const Vector &offset) const
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| 92 | {
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| 93 |   RealSpaceMatrix M;
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| 94 |   M.setIdentity();
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| 95 |   M *= factor;
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| 96 |   Vectors.transform(M);
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| 97 |   Vectors.translate(offset);
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| 98 |   return Vectors;
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| 99 | }
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| 100 | 
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| 101 | /** Prepares Vector's in such a way that the mesh forms a cube.
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| 102 |  *
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| 103 |  */
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| 104 | std::vector<Vector> TesselationInOutsideTest::setupCube() const
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| 105 | {
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| 106 |   std::vector<Vector> returnVectors;
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| 107 |   returnVectors.push_back( Vector(0., 0., 0.) );
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| 108 |   returnVectors.push_back( Vector(0., 1., 0.) );
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| 109 |   returnVectors.push_back( Vector(1., 0., 0.) );
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| 110 |   returnVectors.push_back( Vector(1., 1., 0.) );
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| 111 |   returnVectors.push_back( Vector(0., 0., 1.) );
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| 112 |   returnVectors.push_back( Vector(0., 1., 1.) );
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| 113 |   returnVectors.push_back( Vector(1., 0., 1.) );
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| 114 |   returnVectors.push_back( Vector(1., 1., 1.) );
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| 115 |   return returnVectors;
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| 116 | }
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| 117 | 
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| 118 | /** Prepares Vector's in such a way that the mesh forms a sphere.
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| 119 |  *
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| 120 |  */
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| 121 | std::vector<Vector> TesselationInOutsideTest::setupSphere() const
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| 122 | {
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| 123 |   std::vector<Vector> returnVectors;
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| 124 |   // start with a cube
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| 125 |   returnVectors.push_back( Vector(0., 0., 0.) );
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| 126 |   returnVectors.push_back( Vector(0., 1., 0.) );
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| 127 |   returnVectors.push_back( Vector(1., 0., 0.) );
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| 128 |   returnVectors.push_back( Vector(1., 1., 0.) );
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| 129 |   returnVectors.push_back( Vector(0., 0., 1.) );
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| 130 |   returnVectors.push_back( Vector(0., 1., 1.) );
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| 131 |   returnVectors.push_back( Vector(1., 0., 1.) );
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| 132 |   returnVectors.push_back( Vector(1., 1., 1.) );
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| 133 |   // then add a point slightly above each face
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| 134 |   returnVectors.push_back( Vector(0.5, 0.5, -0.4142136) );
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| 135 |   returnVectors.push_back( Vector(0.5, 0.5, 1.4142136) );
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| 136 |   returnVectors.push_back( Vector(0.5, -0.4142136, 0.5) );
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| 137 |   returnVectors.push_back( Vector(0.5, 1.4142136, 0.5) );
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| 138 |   returnVectors.push_back( Vector(-0.4142136, 0.5, 0.5) );
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| 139 |   returnVectors.push_back( Vector(1.4142136, 0.5, 0.5) );
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| 140 |   return returnVectors;
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| 141 | }
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| 142 | 
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| 143 | /** Prepares Vector's in such a way that the mesh forms a nonconvex form.
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| 144 |  *
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| 145 |  */
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| 146 | std::vector<Vector> TesselationInOutsideTest::setupNonConvex() const
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| 147 | {
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| 148 |   std::vector<Vector> returnVectors;
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| 149 |   // make an along the x-axis elongated cuboid
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| 150 |   returnVectors.push_back( Vector(0., 0., 0.) );
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| 151 |   returnVectors.push_back( Vector(0., 1., 0.) );
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| 152 |   returnVectors.push_back( Vector(2., 0., 0.) );
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| 153 |   returnVectors.push_back( Vector(2., 1., 0.) );
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| 154 |   returnVectors.push_back( Vector(0., 0., 1.) );
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| 155 |   returnVectors.push_back( Vector(0., 1., 1.) );
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| 156 |   returnVectors.push_back( Vector(2., 0., 1.) );
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| 157 |   returnVectors.push_back( Vector(2., 1., 1.) );
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| 158 |   // add two lowered points in the middle of the elongation
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| 159 |   returnVectors.push_back( Vector(1., 0.5, 0.) );
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| 160 |   returnVectors.push_back( Vector(1., 0.5, 1.) );
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| 161 |   returnVectors.push_back( Vector(1., 0., 0.) );
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| 162 |   returnVectors.push_back( Vector(1., 0., 1.) );
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| 163 |   return returnVectors;
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| 164 | }
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| 165 | 
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| 166 | /** Creates the tesselation out of current setup in \a Corners.
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| 167 |  *
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| 168 |  */
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| 169 | void TesselationInOutsideTest::prepareTesselation(const double SPHERERADIUS)
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| 170 | {
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| 171 |   // create LinkedCell
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| 172 |   PointCloudAdaptor< TesselPointSTLList > cloud(&Corners, "TesselPointSTLList");
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| 173 |   LinkedList = new LinkedCell_deprecated(cloud, 2.*SPHERERADIUS);
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| 174 | 
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| 175 |   // create tesselation
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| 176 |   TesselStruct = new Tesselation;
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| 177 |   (*TesselStruct)(cloud, SPHERERADIUS);
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| 178 | }
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| 179 | 
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| 180 | /** Removes any currently present tesselation.
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| 181 |  *
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| 182 |  */
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| 183 | void TesselationInOutsideTest::removeTesselation()
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| 184 | {
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| 185 |   delete LinkedList;
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| 186 |   delete TesselStruct;
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| 187 |   for (TesselPointSTLList::iterator Runner = Corners.begin(); Runner != Corners.end(); Runner++)
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| 188 |     delete *Runner;
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| 189 | 
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| 190 |   LinkedList = NULL;
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| 191 |   TesselStruct = NULL;
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| 192 | }
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| 193 | 
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| 194 | void TesselationInOutsideTest::setUp()
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| 195 | {
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| 196 |   setVerbosity(6);
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| 197 | }
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| 198 | 
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| 199 | void TesselationInOutsideTest::tearDown()
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| 200 | {
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| 201 |   removeTesselation();
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| 202 |   Corners.clear();
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| 203 |   logger::purgeInstance();
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| 204 |   errorLogger::purgeInstance();
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| 205 | }
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| 206 | 
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| 207 | /** UnitTest for Tesselation::IsInnerPoint() with a cube mesh
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| 208 |  */
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| 209 | void TesselationInOutsideTest::IsInnerPointCubeTest()
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| 210 | {
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| 211 |   {
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| 212 |     const double SPHERERADIUS = 2.;
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| 213 |     prepareCorners( translateAndexpand( setupCube(), 1., Vector(0.,0.,0.)) );
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| 214 |     prepareTesselation(SPHERERADIUS);
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| 215 |     CPPUNIT_ASSERT( TesselStruct != NULL );
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| 216 |     PointCloudAdaptor< TesselPointSTLList > cloud(&Corners, "TesselPointSTLList");
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| 217 |     //TesselStruct->Output("cube", cloud);
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| 218 |     double n[3];
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| 219 |     const double boundary = 2.;
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| 220 |     const double step = 1.;
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| 221 |     // go through the cube and check each point
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| 222 |     for (n[0] = -boundary; n[0] <= boundary; n[0]+=step)
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| 223 |       for (n[1] = -boundary; n[1] <= boundary; n[1]+=step)
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| 224 |         for (n[2] = -boundary; n[2] <= boundary; n[2]+=step) {
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| 225 |           const Vector testPoint(n[0], n[1], n[2]);
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| 226 |           if ( ((n[0] >= 0.) && (n[1] >= 0.) && (n[2] >= 0.)) && ((n[0] <= 1.) && (n[1] <= 1.) && (n[2] <= 1.)))
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| 227 |             CPPUNIT_ASSERT_EQUAL( true , TesselStruct->IsInnerPoint(testPoint, LinkedList) );
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| 228 |           else
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| 229 |             CPPUNIT_ASSERT_EQUAL( false , TesselStruct->IsInnerPoint(testPoint, LinkedList) );
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| 230 |         }
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| 231 |   }
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| 232 | }
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| 233 | 
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| 234 | /** UnitTest for Tesselation::IsInnerPoint() with a sphere mesh
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| 235 |  */
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| 236 | void TesselationInOutsideTest::IsInnerPointSphereTest()
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| 237 | {
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| 238 |   {
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| 239 |     // with radius 2, we see the opposite point which causes FindStartingTriangle() to fail
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| 240 |     const double SPHERERADIUS = 1.;
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| 241 |     const Vector offset(0.5,0.5,0.5);
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| 242 |     const double factor = 1.;
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| 243 |     prepareCorners( translateAndexpand( setupSphere(), factor, offset) );
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| 244 |     prepareTesselation(SPHERERADIUS);
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| 245 |     CPPUNIT_ASSERT( TesselStruct != NULL );
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| 246 |     double n[3];
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| 247 |     const double boundary = 2.;
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| 248 |     const double step = 1.;
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| 249 |     const std::vector<bool> test(1, true);
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| 250 |     const Vector SphereCenter( Vector(0.5,0.5,0.5) + offset );
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| 251 |     const double SphereRadius = (Vector(0.,0.,0.)+offset - SphereCenter).Norm();
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| 252 |     // go through the cube and check each point
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| 253 |     for (n[0] = -boundary; n[0] <= boundary; n[0]+=step)
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| 254 |       for (n[1] = -boundary; n[1] <= boundary; n[1]+=step)
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| 255 |         for (n[2] = -boundary; n[2] <= boundary; n[2]+=step) {
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| 256 |           const Vector testPoint(n[0], n[1], n[2]);
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| 257 |           // radius is actually 2. but we simply avoid the corners in this test
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| 258 |           if ( testPoint.DistanceSquared(SphereCenter) <= factor*SphereRadius ) {
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| 259 |             LOG(1, "INFO: Testing whether " << testPoint << " is an inner point.");
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| 260 |             CPPUNIT_ASSERT_EQUAL( true , TesselStruct->IsInnerPoint(testPoint, LinkedList) );
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| 261 |           } else {
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| 262 |             LOG(1, "INFO: Testing whether " << testPoint << " is not an inner point.");
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| 263 |             CPPUNIT_ASSERT_EQUAL( false , TesselStruct->IsInnerPoint(testPoint, LinkedList) );
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| 264 |           }
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| 265 |         }
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| 266 |   }
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| 267 | }
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| 268 | 
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| 269 | /** UnitTest for Tesselation::IsInnerPoint() with a non-convex mesh
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| 270 |  */
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| 271 | void TesselationInOutsideTest::IsInnerPointNonConvexTest()
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| 272 | {
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| 273 |   {
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| 274 |     const double SPHERERADIUS = 1.;
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| 275 |     prepareCorners( translateAndexpand( setupNonConvex(), 1., Vector(0.,0.,0.)) );
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| 276 |     prepareTesselation(SPHERERADIUS);
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| 277 |     CPPUNIT_ASSERT( TesselStruct != NULL );
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| 278 |     double n[3];
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| 279 |     const double boundary = 4.;
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| 280 |     const double step = 1.;
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| 281 |     // go through the cube and check each point
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| 282 |     for (n[0] = -boundary; n[0] <= boundary; n[0]+=step)
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| 283 |       for (n[1] = -boundary; n[1] <= boundary; n[1]+=step)
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| 284 |         for (n[2] = -boundary; n[2] <= boundary; n[2]+=step) {
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| 285 |           const Vector testPoint(n[0], n[1], n[2]);
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| 286 |           if ( ((n[0] >= 0.) && (n[1] >= 0.) && (n[2] >= 0.)) && ((n[0] <= 2.) && (n[1] <= .5) && (n[2] <= 1.))) {
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| 287 |             // (y) lower half of elongated block
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| 288 |             LOG(1, "INFO: Testing whether " << testPoint << " is an inner point.");
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| 289 |             CPPUNIT_ASSERT_EQUAL( true , TesselStruct->IsInnerPoint(testPoint, LinkedList) );
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| 290 |           } 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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| 291 |             // (y) upper half of elongated block
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| 292 |             if ( ((n[0] >= 0.) && (n[1] >= 0.5) && (n[2] >= 0.)) && ((n[0] <= 1.) && (n[1] <= 1.) && (n[2] <= 1.))) {
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| 293 |               // (x) left side
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| 294 |               if (n[0]+n[1] <= 1.) {
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| 295 |                 LOG(1, "INFO: Testing whether " << testPoint << " is an inner point.");
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| 296 |                 CPPUNIT_ASSERT_EQUAL( true , TesselStruct->IsInnerPoint(testPoint, LinkedList) );
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| 297 |               } else {
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| 298 |                 LOG(1, "INFO: Testing whether " << testPoint << " is not an inner point.");
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| 299 |                 CPPUNIT_ASSERT_EQUAL( false , TesselStruct->IsInnerPoint(testPoint, LinkedList) );
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| 300 |               }
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| 301 |             } else {
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| 302 |               // (x) right side)
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| 303 |               if ((1.-n[0])+n[1] <= 1.) {
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| 304 |                 LOG(1, "INFO: Testing whether " << testPoint << " is an inner point.");
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| 305 |                 CPPUNIT_ASSERT_EQUAL( true , TesselStruct->IsInnerPoint(testPoint, LinkedList) );
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| 306 |               } else {
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| 307 |                 LOG(1, "INFO: Testing whether " << testPoint << " is not an inner point.");
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| 308 |                 CPPUNIT_ASSERT_EQUAL( false , TesselStruct->IsInnerPoint(testPoint, LinkedList) );
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| 309 |               }
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| 310 |             }
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| 311 |           } else {
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| 312 |             LOG(1, "INFO: Testing whether " << testPoint << " is not an inner point.");
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| 313 |             CPPUNIT_ASSERT_EQUAL( false , TesselStruct->IsInnerPoint(testPoint, LinkedList) );
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| 314 |           }
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| 315 |         }
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| 316 |   }
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| 317 | }
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