| [bcf653] | 1 | /*
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 | 2 |  * Project: MoleCuilder
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 | 3 |  * Description: creates and alters molecular systems
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| [0aa122] | 4 |  * Copyright (C)  2010-2012 University of Bonn. All rights reserved.
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| [94d5ac6] | 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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| [bcf653] | 21 |  */
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 | 22 | 
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| [c15ca2] | 23 | /*
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| [f844ef] | 24 |  * Tesselation_InsideOutsideUnitTest.cpp
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| [c15ca2] | 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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| [bf3817] | 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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| [c15ca2] | 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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| [49e1ae] | 41 | #include <cstring>
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| [d74077] | 42 | #include <iostream>
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| [49e1ae] | 43 | 
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| [6f0841] | 44 | #include "Atom/TesselPoint.hpp"
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| [255829] | 45 | #include "CodePatterns/Log.hpp"
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| [34c43a] | 46 | #include "Helpers/defs.hpp"
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| [53bc04] | 47 | #include "LinearAlgebra/RealSpaceMatrix.hpp"
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| [53c7fc] | 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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| [6f0841] | 52 | #include "Tesselation/tesselation.hpp"
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| [c15ca2] | 53 | 
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| [f844ef] | 54 | #include "Tesselation_InsideOutsideUnitTest.hpp"
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 | 55 | 
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| [9b6b2f] | 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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| [c15ca2] | 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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| [53bc04] | 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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| [c15ca2] | 70 | {
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 | 71 |   class TesselPoint *Walker;
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| [53bc04] | 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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| [c15ca2] | 165 | 
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| [53bc04] | 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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| [cc21cd] | 171 |   // create LinkedCell
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| [caa06ef] | 172 |   PointCloudAdaptor< TesselPointSTLList > cloud(&Corners, "TesselPointSTLList");
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| [6bd7e0] | 173 |   LinkedList = new LinkedCell_deprecated(cloud, 2.*SPHERERADIUS);
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| [c15ca2] | 174 | 
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 | 175 |   // create tesselation
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 | 176 |   TesselStruct = new Tesselation;
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| [cc21cd] | 177 |   (*TesselStruct)(cloud, SPHERERADIUS);
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| [53bc04] | 178 | }
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| [c15ca2] | 179 | 
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| [53bc04] | 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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| [c15ca2] | 184 | {
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| [53bc04] | 185 |   delete LinkedList;
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| [cc21cd] | 186 |   delete TesselStruct;
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| [34c43a] | 187 |   for (TesselPointSTLList::iterator Runner = Corners.begin(); Runner != Corners.end(); Runner++)
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| [cc21cd] | 188 |     delete *Runner;
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| [53bc04] | 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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| [c15ca2] | 202 |   Corners.clear();
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 | 203 |   logger::purgeInstance();
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 | 204 |   errorLogger::purgeInstance();
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| [53bc04] | 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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| [22425a] | 217 |     //TesselStruct->Output("cube", cloud);
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| [53bc04] | 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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| [c15ca2] | 268 | 
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| [53bc04] | 269 | /** UnitTest for Tesselation::IsInnerPoint() with a non-convex mesh
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| [c15ca2] | 270 |  */
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| [53bc04] | 271 | void TesselationInOutsideTest::IsInnerPointNonConvexTest()
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| [c15ca2] | 272 | {
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| [53bc04] | 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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