| 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 |  * Shape.cpp
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| 10 |  *
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| 11 |  *  Created on: Jun 18, 2010
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| 12 |  *      Author: crueger
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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 | #include "CodePatterns/MemDebug.hpp"
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| 21 | 
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| 22 | #include "CodePatterns/Assert.hpp"
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| 23 | #include "LinearAlgebra/Vector.hpp"
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| 24 | 
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| 25 | #include "Shapes/Shape.hpp"
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| 26 | #include "Shapes/Shape_impl.hpp"
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| 27 | #include "Shapes/ShapeExceptions.hpp"
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| 28 | #include "Shapes/ShapeType.hpp"
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| 29 | 
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| 30 | #include "Tesselation/ApproximateShapeArea.hpp"
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| 31 | #include "Tesselation/ApproximateShapeVolume.hpp"
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| 32 | 
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| 33 | #include <algorithm>
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| 34 | #include <limits>
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| 35 | #include <string>
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| 36 | 
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| 37 | 
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| 38 | Shape::Shape(const Shape& src) :
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| 39 |   impl(src.getImpl())
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| 40 | {}
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| 41 | 
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| 42 | Shape::~Shape(){}
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| 43 | 
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| 44 | bool Shape::isInside(const Vector &point) const{
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| 45 |   return impl->isInside(point);
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| 46 | }
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| 47 | 
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| 48 | bool Shape::isOnSurface(const Vector &point) const{
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| 49 |   return impl->isOnSurface(point);
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| 50 | }
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| 51 | 
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| 52 | Vector Shape::getNormal(const Vector &point) const throw (NotOnSurfaceException){
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| 53 |   return impl->getNormal(point);
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| 54 | }
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| 55 | 
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| 56 | Vector Shape::getCenter() const{
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| 57 |   return impl->getCenter();
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| 58 | }
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| 59 | 
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| 60 | double Shape::getRadius() const{
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| 61 |   return impl->getRadius();
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| 62 | }
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| 63 | 
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| 64 | /** Returns the volume of the Shape.
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| 65 |  *
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| 66 |  * If the underlying implementation does not have a working implementation,
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| 67 |  * i.e. returns -1., then we use an approximate method to calculate the
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| 68 |  * volume via a mesh of grid points and checking for isInside (basically
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| 69 |  * a Monte-Carlo integration of the volume).
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| 70 |  *
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| 71 |  * \return volume of the shape
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| 72 |  */
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| 73 | double Shape::getVolume() const
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| 74 | {
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| 75 |         const double volume = impl->getVolume();
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| 76 |         if (volume  != -1.) {
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| 77 |                 return volume;
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| 78 |         } else {
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| 79 |                 ApproximateShapeVolume Approximator(*this);
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| 80 |                 return Approximator();
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| 81 |         }
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| 82 | }
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| 83 | 
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| 84 | /** Returns the surface area of the Shape.
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| 85 |  *
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| 86 |  * If the underlying implementation does not have a working implementation,
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| 87 |  * i.e. returns -1., then we use the working filling of the shapes surface
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| 88 |  * with points and subsequent tesselation and obtaining the approximate
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| 89 |  * surface area therefrom.
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| 90 |  *
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| 91 |  * @return surface area of the Shape
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| 92 |  */
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| 93 | double Shape::getSurfaceArea() const
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| 94 | {
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| 95 |         const double surfacearea = impl->getSurfaceArea();
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| 96 |         if (surfacearea != -1.) {
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| 97 |                 return surfacearea;
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| 98 |         } else {
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| 99 |                 ApproximateShapeArea Approximator(*this);
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| 100 |                 return Approximator();
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| 101 |         }
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| 102 | }
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| 103 | 
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| 104 | LineSegmentSet Shape::getLineIntersections(const Line &line) const{
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| 105 |   return impl->getLineIntersections(line);
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| 106 | }
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| 107 | 
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| 108 | std::vector<Vector> Shape::getHomogeneousPointsOnSurface(const size_t N) const {
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| 109 |   return impl->getHomogeneousPointsOnSurface(N);
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| 110 | }
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| 111 | 
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| 112 | std::vector<Vector> Shape::getHomogeneousPointsInVolume(const size_t N) const {
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| 113 |         return impl->getHomogeneousPointsInVolume(N);
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| 114 | }
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| 115 | 
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| 116 | Shape::Shape(Shape::impl_ptr _impl) :
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| 117 |     impl(_impl)
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| 118 | {}
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| 119 | 
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| 120 | Shape &Shape::operator=(const Shape& rhs){
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| 121 |   if(&rhs!=this){
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| 122 |     impl=rhs.getImpl();
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| 123 |   }
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| 124 |   return *this;
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| 125 | }
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| 126 | 
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| 127 | bool Shape::operator==(const Shape &rhs) const{
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| 128 |         return (this->getType() == rhs.getType());
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| 129 | }
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| 130 | 
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| 131 | std::string Shape::toString() const{
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| 132 |   return impl->toString();
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| 133 | }
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| 134 | 
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| 135 | enum ShapeType Shape::getType() const{
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| 136 |         return impl->getType();
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| 137 | }
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| 138 | 
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| 139 | Shape::impl_ptr Shape::getImpl() const{
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| 140 |   return impl;
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| 141 | }
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| 142 | 
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| 143 | // allows arbitrary friendship, but only if implementation is known
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| 144 | Shape::impl_ptr getShapeImpl(const Shape &shape){
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| 145 |   return shape.getImpl();
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| 146 | }
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| 147 | 
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| 148 | /***************************** Some simple Shapes ***************************/
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| 149 | 
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| 150 | Shape Everywhere(){
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| 151 |   static Shape::impl_ptr impl = Shape::impl_ptr(new Everywhere_impl());
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| 152 |   return Shape(impl);
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| 153 | }
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| 154 | 
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| 155 | Shape Nowhere(){
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| 156 |   static Shape::impl_ptr impl = Shape::impl_ptr(new Nowhere_impl());
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| 157 |   return Shape(impl);
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| 158 | }
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| 159 | 
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| 160 | /****************************** Operators ***********************************/
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| 161 | 
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| 162 | // AND
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| 163 | 
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| 164 | AndShape_impl::AndShape_impl(const Shape::impl_ptr &_lhs, const Shape::impl_ptr &_rhs) :
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| 165 |   lhs(_lhs),rhs(_rhs)
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| 166 | {}
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| 167 | 
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| 168 | AndShape_impl::~AndShape_impl(){}
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| 169 | 
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| 170 | bool AndShape_impl::isInside(const Vector &point) const{
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| 171 |   return lhs->isInside(point) && rhs->isInside(point);
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| 172 | }
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| 173 | 
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| 174 | bool AndShape_impl::isOnSurface(const Vector &point) const{
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| 175 |   // check the number of surfaces that this point is on
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| 176 |   int surfaces =0;
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| 177 |   surfaces += lhs->isOnSurface(point);
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| 178 |   surfaces += rhs->isOnSurface(point);
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| 179 | 
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| 180 |   switch(surfaces){
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| 181 |     case 0:
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| 182 |       return false;
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| 183 |       // no break necessary
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| 184 |     case 1:
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| 185 |       // if it is inside for the object where it does not lie on
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| 186 |       // the surface the whole point lies inside
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| 187 |       return (lhs->isOnSurface(point) && rhs->isInside(point)) ||
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| 188 |              (rhs->isOnSurface(point) && lhs->isInside(point));
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| 189 |       // no break necessary
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| 190 |     case 2:
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| 191 |       {
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| 192 |         // it lies on both Shapes... could be an edge or an inner point
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| 193 |         // test the direction of the normals
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| 194 |         Vector direction=lhs->getNormal(point)+rhs->getNormal(point);
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| 195 |         // if the directions are opposite we lie on the inside
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| 196 |         return !direction.IsZero();
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| 197 |       }
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| 198 |       // no break necessary
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| 199 |     default:
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| 200 |       // if this happens there is something wrong
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| 201 |       ASSERT(0,"Default case should have never been used");
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| 202 |   }
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| 203 |   return false; // never reached
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| 204 | }
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| 205 | 
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| 206 | Vector AndShape_impl::getNormal(const Vector &point) const throw (NotOnSurfaceException){
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| 207 |   Vector res;
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| 208 |   if(!isOnSurface(point)){
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| 209 |     throw NotOnSurfaceException() << ShapeVector(&point);
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| 210 |   }
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| 211 |   res += lhs->isOnSurface(point)?lhs->getNormal(point):zeroVec;
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| 212 |   res += rhs->isOnSurface(point)?rhs->getNormal(point):zeroVec;
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| 213 |   res.Normalize();
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| 214 |   return res;
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| 215 | }
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| 216 | 
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| 217 | Vector AndShape_impl::getCenter() const
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| 218 | {
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| 219 |   // calculate closest position on sphere surface to other center ..
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| 220 |   const Vector rhsDistance = rhs->getCenter() + rhs->getRadius()*((lhs->getCenter() - rhs->getCenter()).getNormalized());
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| 221 |   const Vector lhsDistance = lhs->getCenter() + lhs->getRadius()*((rhs->getCenter() - lhs->getCenter()).getNormalized());
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| 222 |   // .. and then it's right in between those two
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| 223 |   return 0.5*(rhsDistance + lhsDistance);
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| 224 | }
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| 225 | 
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| 226 | double AndShape_impl::getRadius() const
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| 227 | {
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| 228 |   const double distance = (lhs->getCenter() - rhs->getCenter()).Norm();
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| 229 |   const double minradii = std::min(lhs->getRadius(), rhs->getRadius());
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| 230 |   // if no intersection
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| 231 |   if (distance > (lhs->getRadius() + rhs->getRadius()))
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| 232 |     return 0.;
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| 233 |   else // if intersection it can only be the smaller one
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| 234 |     return minradii;
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| 235 | }
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| 236 | 
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| 237 | double AndShape_impl::getVolume() const
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| 238 | {
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| 239 |         // TODO
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| 240 |         return -1.;
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| 241 | }
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| 242 | 
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| 243 | double AndShape_impl::getSurfaceArea() const
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| 244 | {
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| 245 |         // TODO
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| 246 |         return -1.;
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| 247 | }
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| 248 | 
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| 249 | LineSegmentSet AndShape_impl::getLineIntersections(const Line &line) const{
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| 250 |   return intersect(lhs->getLineIntersections(line),rhs->getLineIntersections(line));
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| 251 | }
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| 252 | 
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| 253 | std::string AndShape_impl::toString() const{
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| 254 |   return std::string("(") + lhs->toString() + std::string("&&") + rhs->toString() + std::string(")");
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| 255 | }
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| 256 | 
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| 257 | enum ShapeType AndShape_impl::getType() const{
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| 258 |         return CombinedType;
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| 259 | }
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| 260 | 
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| 261 | std::vector<Vector> AndShape_impl::getHomogeneousPointsOnSurface(const size_t N) const {
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| 262 |   std::vector<Vector> PointsOnSurface_lhs = lhs->getHomogeneousPointsOnSurface(N);
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| 263 |   std::vector<Vector> PointsOnSurface_rhs = rhs->getHomogeneousPointsOnSurface(N);
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| 264 |   std::vector<Vector> PointsOnSurface;
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| 265 | 
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| 266 |   for (std::vector<Vector>::const_iterator iter = PointsOnSurface_lhs.begin(); iter != PointsOnSurface_lhs.end(); ++iter) {
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| 267 |     if (rhs->isInside(*iter))
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| 268 |       PointsOnSurface.push_back(*iter);
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| 269 |   }
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| 270 |   for (std::vector<Vector>::const_iterator iter = PointsOnSurface_rhs.begin(); iter != PointsOnSurface_rhs.end(); ++iter) {
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| 271 |     if (lhs->isInside(*iter))
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| 272 |       PointsOnSurface.push_back(*iter);
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| 273 |   }
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| 274 | 
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| 275 |   return PointsOnSurface;
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| 276 | }
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| 277 | 
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| 278 | std::vector<Vector> AndShape_impl::getHomogeneousPointsInVolume(const size_t N) const {
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| 279 |         ASSERT(0,
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| 280 |                         "AndShape_impl::getHomogeneousPointsInVolume() - not implemented.");
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| 281 |         return std::vector<Vector>();
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| 282 | }
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| 283 | 
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| 284 | 
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| 285 | Shape operator&&(const Shape &lhs,const Shape &rhs){
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| 286 |   Shape::impl_ptr newImpl = Shape::impl_ptr(new AndShape_impl(getShapeImpl(lhs),getShapeImpl(rhs)));
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| 287 |   return Shape(newImpl);
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| 288 | }
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| 289 | 
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| 290 | // OR
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| 291 | 
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| 292 | OrShape_impl::OrShape_impl(const Shape::impl_ptr &_lhs, const Shape::impl_ptr &_rhs) :
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| 293 |   lhs(_lhs),rhs(_rhs)
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| 294 | {}
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| 295 | 
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| 296 | OrShape_impl::~OrShape_impl(){}
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| 297 | 
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| 298 | bool OrShape_impl::isInside(const Vector &point) const{
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| 299 |   return rhs->isInside(point) || lhs->isInside(point);
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| 300 | }
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| 301 | 
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| 302 | bool OrShape_impl::isOnSurface(const Vector &point) const{
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| 303 |   // check the number of surfaces that this point is on
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| 304 |   int surfaces =0;
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| 305 |   surfaces += lhs->isOnSurface(point);
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| 306 |   surfaces += rhs->isOnSurface(point);
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| 307 | 
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| 308 |   switch(surfaces){
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| 309 |     case 0:
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| 310 |       return false;
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| 311 |       // no break necessary
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| 312 |     case 1:
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| 313 |       // if it is inside for the object where it does not lie on
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| 314 |       // the surface the whole point lies inside
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| 315 |       return (lhs->isOnSurface(point) && !rhs->isInside(point)) ||
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| 316 |              (rhs->isOnSurface(point) && !lhs->isInside(point));
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| 317 |       // no break necessary
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| 318 |     case 2:
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| 319 |       {
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| 320 |         // it lies on both Shapes... could be an edge or an inner point
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| 321 |         // test the direction of the normals
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| 322 |         Vector direction=lhs->getNormal(point)+rhs->getNormal(point);
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| 323 |         // if the directions are opposite we lie on the inside
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| 324 |         return !direction.IsZero();
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| 325 |       }
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| 326 |       // no break necessary
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| 327 |     default:
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| 328 |       // if this happens there is something wrong
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| 329 |       ASSERT(0,"Default case should have never been used");
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| 330 |   }
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| 331 |   return false; // never reached
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| 332 | }
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| 333 | 
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| 334 | Vector OrShape_impl::getNormal(const Vector &point) const throw (NotOnSurfaceException){
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| 335 |   Vector res;
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| 336 |   if(!isOnSurface(point)){
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| 337 |     throw NotOnSurfaceException() << ShapeVector(&point);
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| 338 |   }
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| 339 |   res += lhs->isOnSurface(point)?lhs->getNormal(point):zeroVec;
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| 340 |   res += rhs->isOnSurface(point)?rhs->getNormal(point):zeroVec;
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| 341 |   res.Normalize();
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| 342 |   return res;
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| 343 | }
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| 344 | 
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| 345 | Vector OrShape_impl::getCenter() const
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| 346 | {
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| 347 |   // calculate furthest position on sphere surface to other center ..
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| 348 |   const Vector rhsDistance = rhs->getCenter() + rhs->getRadius()*((rhs->getCenter() - lhs->getCenter()).getNormalized());
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| 349 |   const Vector lhsDistance = lhs->getCenter() + lhs->getRadius()*((lhs->getCenter() - rhs->getCenter()).getNormalized());
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| 350 |   // .. and then it's right in between those two
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| 351 |   return .5*(rhsDistance + lhsDistance);
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| 352 | }
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| 353 | 
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| 354 | double OrShape_impl::getRadius() const
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| 355 | {
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| 356 |   const Vector rhsDistance = rhs->getCenter() + rhs->getRadius()*((rhs->getCenter() - lhs->getCenter()).getNormalized());
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| 357 |   const Vector lhsDistance = lhs->getCenter() + lhs->getRadius()*((lhs->getCenter() - rhs->getCenter()).getNormalized());
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| 358 |   return .5*(rhsDistance - lhsDistance).Norm();
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| 359 | }
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| 360 | 
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| 361 | double OrShape_impl::getVolume() const
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| 362 | {
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| 363 |         // TODO
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| 364 |         return -1.;
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| 365 | }
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| 366 | 
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| 367 | double OrShape_impl::getSurfaceArea() const
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| 368 | {
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| 369 |         // TODO
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| 370 |         return -1.;
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| 371 | }
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| 372 | 
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| 373 | LineSegmentSet OrShape_impl::getLineIntersections(const Line &line) const{
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| 374 |   return merge(lhs->getLineIntersections(line),rhs->getLineIntersections(line));
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| 375 | }
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| 376 | 
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| 377 | std::string OrShape_impl::toString() const{
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| 378 |   return std::string("(") + lhs->toString() + std::string("||") + rhs->toString() + std::string(")");
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| 379 | }
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| 380 | 
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| 381 | enum ShapeType OrShape_impl::getType() const{
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| 382 |         return CombinedType;
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| 383 | }
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| 384 | 
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| 385 | std::vector<Vector> OrShape_impl::getHomogeneousPointsOnSurface(const size_t N) const {
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| 386 |   std::vector<Vector> PointsOnSurface_lhs = lhs->getHomogeneousPointsOnSurface(N);
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| 387 |   std::vector<Vector> PointsOnSurface_rhs = rhs->getHomogeneousPointsOnSurface(N);
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| 388 |   std::vector<Vector> PointsOnSurface;
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| 389 | 
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| 390 |   for (std::vector<Vector>::const_iterator iter = PointsOnSurface_lhs.begin(); iter != PointsOnSurface_lhs.end(); ++iter) {
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| 391 |     if (!rhs->isInside(*iter))
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| 392 |       PointsOnSurface.push_back(*iter);
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| 393 |   }
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| 394 |   for (std::vector<Vector>::const_iterator iter = PointsOnSurface_rhs.begin(); iter != PointsOnSurface_rhs.end(); ++iter) {
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| 395 |     if (!lhs->isInside(*iter))
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| 396 |       PointsOnSurface.push_back(*iter);
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| 397 |   }
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| 398 | 
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| 399 |   return PointsOnSurface;
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| 400 | }
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| 401 | 
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| 402 | std::vector<Vector> OrShape_impl::getHomogeneousPointsInVolume(const size_t N) const {
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| 403 |         ASSERT(0,
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| 404 |                         "OrShape_impl::getHomogeneousPointsInVolume() - not implemented.");
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| 405 |         return std::vector<Vector>();
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| 406 | }
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| 407 | 
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| 408 | Shape operator||(const Shape &lhs,const Shape &rhs){
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| 409 |   Shape::impl_ptr newImpl = Shape::impl_ptr(new OrShape_impl(getShapeImpl(lhs),getShapeImpl(rhs)));
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| 410 |   return Shape(newImpl);
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| 411 | }
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| 412 | 
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| 413 | // NOT
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| 414 | 
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| 415 | NotShape_impl::NotShape_impl(const Shape::impl_ptr &_arg) :
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| 416 |   arg(_arg)
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| 417 | {}
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| 418 | 
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| 419 | NotShape_impl::~NotShape_impl(){}
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| 420 | 
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| 421 | bool NotShape_impl::isInside(const Vector &point) const{
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| 422 |   return !arg->isInside(point);
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| 423 | }
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| 424 | 
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| 425 | bool NotShape_impl::isOnSurface(const Vector &point) const{
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| 426 |   return arg->isOnSurface(point);
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| 427 | }
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| 428 | 
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| 429 | Vector NotShape_impl::getNormal(const Vector &point) const throw(NotOnSurfaceException){
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| 430 |   return -1.*arg->getNormal(point);
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| 431 | }
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| 432 | 
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| 433 | Vector NotShape_impl::getCenter() const
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| 434 | {
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| 435 |   return arg->getCenter();
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| 436 | }
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| 437 | 
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| 438 | double NotShape_impl::getRadius() const
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| 439 | {
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| 440 |   return std::numeric_limits<double>::infinity();
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| 441 | }
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| 442 | 
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| 443 | double NotShape_impl::getVolume() const
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| 444 | {
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| 445 |         // TODO
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| 446 |         return -1.; //-arg->getVolume();
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| 447 | }
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| 448 | 
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| 449 | double NotShape_impl::getSurfaceArea() const
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| 450 | {
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| 451 |         // TODO
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| 452 |         return -1.; // -arg->getSurfaceArea();
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| 453 | }
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| 454 | 
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| 455 | LineSegmentSet NotShape_impl::getLineIntersections(const Line &line) const{
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| 456 |   return invert(arg->getLineIntersections(line));
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| 457 | }
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| 458 | 
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| 459 | std::string NotShape_impl::toString() const{
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| 460 |   return std::string("!") + arg->toString();
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| 461 | }
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| 462 | 
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| 463 | enum ShapeType NotShape_impl::getType() const{
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| 464 |         return CombinedType;
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| 465 | }
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| 466 | 
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| 467 | std::vector<Vector> NotShape_impl::getHomogeneousPointsOnSurface(const size_t N) const {
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| 468 |   // surfaces are the same, only normal direction is different
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| 469 |   return arg->getHomogeneousPointsOnSurface(N);
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| 470 | }
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| 471 | 
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| 472 | std::vector<Vector> NotShape_impl::getHomogeneousPointsInVolume(const size_t N) const {
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| 473 |         ASSERT(0,
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| 474 |                         "NotShape_impl::getHomogeneousPointsInVolume() - not implemented.");
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| 475 |         return std::vector<Vector>();
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| 476 | }
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| 477 | 
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| 478 | Shape operator!(const Shape &arg){
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| 479 |   Shape::impl_ptr newImpl = Shape::impl_ptr(new NotShape_impl(getShapeImpl(arg)));
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| 480 |   return Shape(newImpl);
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| 481 | }
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| 482 | 
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| 483 | /**************** global operations *********************************/
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| 484 | std::ostream &operator<<(std::ostream &ost,const Shape &shape){
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| 485 |   ost << shape.toString();
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| 486 |   return ost;
 | 
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| 487 | }
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