| [84721b] | 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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| [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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| [84721b] | 21 |  */
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 | 22 | 
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 | 23 | /*
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 | 24 |  * ShapeOpsUnitTest.cpp
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 | 25 |  *
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 | 26 |  *  Created on: Jun 18, 2010
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 | 27 |  *      Author: crueger
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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 | #include <cppunit/CompilerOutputter.h>
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 | 36 | #include <cppunit/extensions/TestFactoryRegistry.h>
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 | 37 | #include <cppunit/ui/text/TestRunner.h>
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 | 38 | 
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 | 39 | #include <cmath>
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| [6acc2f3] | 40 | #include <limits>
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| [84721b] | 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 | #include "CodePatterns/Assert.hpp"
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 | 47 | 
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 | 48 | #include "Helpers/defs.hpp"
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 | 49 | #include "LinearAlgebra/RealSpaceMatrix.hpp"
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 | 50 | #include "LinearAlgebra/Vector.hpp"
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 | 51 | #include "Shapes/BaseShapes.hpp"
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 | 52 | #include "Shapes/Shape.hpp"
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 | 53 | #include "Shapes/ShapeOps.hpp"
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 | 54 | 
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 | 55 | #include "ShapeOpsUnitTest.hpp"
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 | 56 | 
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 | 57 | // Registers the fixture into the 'registry'
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 | 58 | CPPUNIT_TEST_SUITE_REGISTRATION( ShapeOpsTest );
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 | 59 | 
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 | 60 | void ShapeOpsTest::setUp()
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 | 61 | {
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 | 62 |   // failing asserts should be thrown
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 | 63 |   ASSERT_DO(Assert::Throw);
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 | 64 | }
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 | 65 | 
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 | 66 | void ShapeOpsTest::tearDown()
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 | 67 | {}
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 | 68 | 
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 | 69 | void ShapeOpsTest::resizeTest()
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 | 70 | {
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 | 71 |   Shape s = resize(Sphere(), 2.);
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 | 72 | 
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 | 73 |   CPPUNIT_ASSERT( s.isInside( Vector(1.5,0.,0.) ) );
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 | 74 |   CPPUNIT_ASSERT( s.isInside( Vector(0.,1.5,0.) ) );
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 | 75 |   CPPUNIT_ASSERT( s.isInside( Vector(0.,0.,1.5) ) );
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 | 76 |   CPPUNIT_ASSERT( s.isOnSurface( Vector(2.,0.,0.) ) );
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 | 77 |   CPPUNIT_ASSERT( s.isOnSurface( Vector(0.,2.,0.) ) );
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 | 78 |   CPPUNIT_ASSERT( s.isOnSurface( Vector(0.,0.,2.) ) );
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 | 79 | }
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 | 80 | 
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 | 81 | void ShapeOpsTest::translateTest()
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 | 82 | {
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 | 83 |   Shape s = translate(Sphere(), Vector(1.,0.,0.));
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 | 84 | 
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 | 85 |   CPPUNIT_ASSERT( s.isInside( Vector(1.5,0.,0.) ) );
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 | 86 |   CPPUNIT_ASSERT( s.isInside( Vector(1.,.5,0.) ) );
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 | 87 |   CPPUNIT_ASSERT( s.isInside( Vector(1.,0.,.5) ) );
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 | 88 |   CPPUNIT_ASSERT( s.isOnSurface( Vector(2.,0.,0.) ) );
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 | 89 |   CPPUNIT_ASSERT( s.isOnSurface( Vector(1.,1.,0.) ) );
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 | 90 |   CPPUNIT_ASSERT( s.isOnSurface( Vector(1.,0.,1.) ) );
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 | 91 |   CPPUNIT_ASSERT( !s.isInside( Vector(-.5,0.,0.) ) );
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 | 92 |   CPPUNIT_ASSERT( !s.isInside( Vector(0.,-.5,0.) ) );
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 | 93 |   CPPUNIT_ASSERT( !s.isInside( Vector(0.,0.,-.5) ) );
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 | 94 | }
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 | 95 | 
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 | 96 | void ShapeOpsTest::stretchTest()
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 | 97 | {
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 | 98 | #ifndef NDEBUG
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 | 99 |   CPPUNIT_ASSERT_THROW( Shape test = stretch(Sphere(), Vector(-2.,0.,0.)), Assert::AssertionFailure );
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 | 100 | #endif
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 | 101 |   Shape s = stretch(Sphere(), Vector(2.,1.,1.));
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 | 102 | 
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 | 103 |   CPPUNIT_ASSERT( s.isInside( Vector(1.5,0.,0.) ) );
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 | 104 |   CPPUNIT_ASSERT( !s.isInside( Vector(0.,1.5,0.) ) );
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 | 105 |   CPPUNIT_ASSERT( !s.isInside( Vector(0.,0.,1.5) ) );
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 | 106 |   CPPUNIT_ASSERT( s.isOnSurface( Vector(2.,0.,0.) ) );
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 | 107 |   CPPUNIT_ASSERT( s.isOnSurface( Vector(0.,1.,0.) ) );
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 | 108 |   CPPUNIT_ASSERT( s.isOnSurface( Vector(0.,1.,0.) ) );
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 | 109 | }
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 | 110 | 
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 | 111 | void ShapeOpsTest::transformTest()
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 | 112 | {
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 | 113 |   RealSpaceMatrix M;
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 | 114 |   M.setRotation(45., 0., 0.);
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 | 115 |   Shape s = transform(Sphere(), M);
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 | 116 | 
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 | 117 |   CPPUNIT_ASSERT( s.isInside( Vector(.5,0.,0.) ) );
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 | 118 |   CPPUNIT_ASSERT( s.isInside( Vector(0.,.5,0.) ) );
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 | 119 |   CPPUNIT_ASSERT( s.isInside( Vector(0.,0.,.5) ) );
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 | 120 |   CPPUNIT_ASSERT( s.isOnSurface( Vector(1.,0.,0.) ) );
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 | 121 |   CPPUNIT_ASSERT( s.isOnSurface( Vector(0.,1.,0.) ) );
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 | 122 |   CPPUNIT_ASSERT( s.isOnSurface( Vector(0.,0.,1.) ) );
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 | 123 | }
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 | 124 | 
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| [6acc2f3] | 125 | void ShapeOpsTest::getCenterTest()
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 | 126 | {
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 | 127 |   Shape s = Sphere();
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 | 128 |   Shape t = Sphere(Vector(2.,0.,0.),1.);
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 | 129 |   Vector offset(1.,0.,0);
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 | 130 |   RealSpaceMatrix M;
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 | 131 |   M.setRotation(45.,0.,0.);
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 | 132 | 
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 | 133 |   // Sphere
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 | 134 |   {
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 | 135 |     // sphere at origin
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 | 136 |     CPPUNIT_ASSERT_EQUAL( Vector(0.,0.,0), s.getCenter() );
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 | 137 | 
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 | 138 |     // translated sphere
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 | 139 |     CPPUNIT_ASSERT_EQUAL( offset, translate(s, offset).getCenter() );
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 | 140 | 
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 | 141 |     // resized sphere
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 | 142 |     CPPUNIT_ASSERT_EQUAL( Vector(0.,0.,0), resize(s, 2.).getCenter() );
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 | 143 | 
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 | 144 |     // stretched sphere
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 | 145 |     CPPUNIT_ASSERT_EQUAL( Vector(0.,0.,0), stretch(s, Vector(2.,1.,1.)).getCenter() );
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 | 146 | 
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 | 147 |     // transformed sphere
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 | 148 |     CPPUNIT_ASSERT_EQUAL( Vector(0.,0.,0), transform(s, M).getCenter() );
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 | 149 | 
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 | 150 |     // resized and translated sphere
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 | 151 |     CPPUNIT_ASSERT_EQUAL( offset, translate(resize(s, 2.), offset).getCenter() );
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 | 152 |   }
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 | 153 | 
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 | 154 |   // AND spheres
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 | 155 |   {
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 | 156 |     // sphere at origin
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 | 157 |     CPPUNIT_ASSERT_EQUAL( Vector(1.,0.,0), (s && t).getCenter() );
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 | 158 | 
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 | 159 |     // translated sphere
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 | 160 |     CPPUNIT_ASSERT_EQUAL( Vector(2.,0.,0), translate((s && t), offset).getCenter() );
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 | 161 | 
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 | 162 |     // resized sphere
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 | 163 |     CPPUNIT_ASSERT_EQUAL( Vector(1.,0.,0), resize((s && t), 2.).getCenter() );
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 | 164 | 
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 | 165 |     // stretched sphere
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 | 166 |     CPPUNIT_ASSERT_EQUAL( Vector(1.5,0.,0), (stretch(s, Vector(2.,1.,1.)) && t).getCenter() );
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 | 167 | 
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 | 168 |     // transformed sphere
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 | 169 |     CPPUNIT_ASSERT_EQUAL( Vector(1.,0.,0), (transform(s, M) && t).getCenter() );
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 | 170 | 
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 | 171 |     // resized and translated sphere
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 | 172 |     CPPUNIT_ASSERT_EQUAL( Vector(2.,0.,0), translate(resize((s && t), 2.), offset).getCenter() );
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 | 173 |   }
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 | 174 | 
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 | 175 |   // OR spheres
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 | 176 |   {
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 | 177 |     // sphere at origin
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 | 178 |     CPPUNIT_ASSERT_EQUAL( Vector(1.,0.,0), (s || t).getCenter() );
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 | 179 | 
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 | 180 |     // translated sphere
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 | 181 |     CPPUNIT_ASSERT_EQUAL( Vector(2.,0.,0), translate((s || t), offset).getCenter() );
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 | 182 | 
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 | 183 |     // resized sphere
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 | 184 |     CPPUNIT_ASSERT_EQUAL( Vector(1.,0.,0), resize((s || t), 2.).getCenter() );
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 | 185 | 
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 | 186 |     // stretched sphere
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 | 187 |     CPPUNIT_ASSERT_EQUAL( Vector(0.5,0.,0), (stretch(s, Vector(2.,1.,1.)) || t).getCenter() );
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 | 188 | 
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 | 189 |     // transformed sphere
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 | 190 |     CPPUNIT_ASSERT_EQUAL( Vector(1.,0.,0), (transform(s, M) || t).getCenter() );
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 | 191 | 
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 | 192 |     // resized and translated sphere
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 | 193 |     CPPUNIT_ASSERT_EQUAL( Vector(2.,0.,0), translate(resize((s || t), 2.), offset).getCenter() );
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 | 194 |   }
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 | 195 | 
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 | 196 |   // NOT spheres
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 | 197 |   {
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 | 198 |     // sphere at origin
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 | 199 |     CPPUNIT_ASSERT_EQUAL( Vector(0.,0.,0), (!s).getCenter() );
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 | 200 |   }
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 | 201 | }
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 | 202 | 
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 | 203 | void ShapeOpsTest::getRadiusTest()
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 | 204 | {
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 | 205 |   Shape s = Sphere();
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 | 206 |   Shape t = Sphere(Vector(2.,0.,0.),1.);
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 | 207 |   Vector offset(1.,0.,0);
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 | 208 |   RealSpaceMatrix M;
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 | 209 |   M.setRotation(45.,0.,0.);
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 | 210 | 
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 | 211 |   // Sphere
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 | 212 |   {
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 | 213 |     // sphere at origin
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 | 214 |     CPPUNIT_ASSERT_EQUAL( 1., s.getRadius() );
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 | 215 | 
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 | 216 |     // translated sphere
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 | 217 |     CPPUNIT_ASSERT_EQUAL( 1., translate(s, offset).getRadius() );
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 | 218 | 
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 | 219 |     // resized sphere
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 | 220 |     CPPUNIT_ASSERT_EQUAL( 2., resize(s, 2.).getRadius() );
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 | 221 | 
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 | 222 |     // stretched sphere
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 | 223 |     CPPUNIT_ASSERT_EQUAL( 2., stretch(s, Vector(2.,1.,1.)).getRadius() );
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 | 224 | 
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 | 225 |     // transformed sphere
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 | 226 |     CPPUNIT_ASSERT_EQUAL( 1., transform(s, M).getRadius() );
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 | 227 | 
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 | 228 |     // resized and translated sphere
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 | 229 |     CPPUNIT_ASSERT_EQUAL( 2., translate(resize(s, 2.), offset).getRadius() );
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 | 230 |   }
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 | 231 | 
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 | 232 |   // AND spheres
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 | 233 |   {
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 | 234 |     // sphere at origin
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 | 235 |     CPPUNIT_ASSERT_EQUAL( 1., (s && t).getRadius() );
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 | 236 | 
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 | 237 |     // translated sphere
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 | 238 |     CPPUNIT_ASSERT_EQUAL( 1., translate((s && t), offset).getRadius() );
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 | 239 | 
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 | 240 |     // resized sphere
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 | 241 |     CPPUNIT_ASSERT_EQUAL( 2., resize((s && t), 2.).getRadius() );
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 | 242 | 
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 | 243 |     // stretched sphere
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 | 244 |     CPPUNIT_ASSERT_EQUAL( 1., (stretch(s, Vector(2.,1.,1.)) && t).getRadius() );
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 | 245 | 
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 | 246 |     // transformed sphere
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 | 247 |     CPPUNIT_ASSERT_EQUAL( 1., (transform(s, M) && t).getRadius() );
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 | 248 | 
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 | 249 |     // resized and translated sphere
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 | 250 |     CPPUNIT_ASSERT_EQUAL( 2., translate(resize((s && t), 2.), offset).getRadius() );
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 | 251 |   }
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 | 252 | 
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 | 253 |   // OR spheres
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 | 254 |   {
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 | 255 |     // sphere at origin
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 | 256 |     CPPUNIT_ASSERT_EQUAL( 2., (s || t).getRadius() );
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 | 257 | 
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 | 258 |     // translated sphere
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 | 259 |     CPPUNIT_ASSERT_EQUAL( 2., translate((s || t), offset).getRadius() );
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 | 260 | 
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 | 261 |     // resized sphere
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 | 262 |     CPPUNIT_ASSERT_EQUAL( 4., resize((s || t), 2.).getRadius() );
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 | 263 | 
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 | 264 |     // stretched sphere
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 | 265 |     CPPUNIT_ASSERT_EQUAL( 2.5, (stretch(s, Vector(2.,1.,1.)) || t).getRadius() );
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 | 266 | 
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 | 267 |     // transformed sphere
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 | 268 |     CPPUNIT_ASSERT_EQUAL( 2., (transform(s, M) || t).getRadius() );
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 | 269 | 
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 | 270 |     // resized and translated sphere
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 | 271 |     CPPUNIT_ASSERT_EQUAL( 4., translate(resize((s || t), 2.), offset).getRadius() );
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 | 272 |   }
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 | 273 | 
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 | 274 |   // NOT spheres
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 | 275 |   {
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 | 276 |     // sphere at origin
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 | 277 |     CPPUNIT_ASSERT_EQUAL( std::numeric_limits<double>::infinity(), (!s).getRadius() );
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 | 278 |   }
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 | 279 | }
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 | 280 | 
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| [13202c] | 281 | void ShapeOpsTest::PointsOnSurfaceTest(){
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 | 282 | 
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 | 283 |   RealSpaceMatrix M;
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 | 284 |   M.setRotation(32., 5., 5.);
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 | 285 |   Shape s = transform(Cuboid(), M);
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 | 286 |   size_t N = 200;
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 | 287 |   std::vector<Vector> PointsOnSurface = s.getHomogeneousPointsOnSurface(N);
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 | 288 |   for (std::vector<Vector>::const_iterator iter = PointsOnSurface.begin();
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 | 289 |       iter != PointsOnSurface.end();
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 | 290 |       ++iter) {
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 | 291 |     CPPUNIT_ASSERT(s.isOnSurface(*iter));
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 | 292 |   }
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 | 293 | }
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 | 294 | 
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