| [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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| [bcf653] | 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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| [997784] | 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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| [bf3817] | 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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| [ad011c] | 20 | #include "CodePatterns/MemDebug.hpp"
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| [997784] | 21 |
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| [ad011c] | 22 | #include "CodePatterns/Assert.hpp"
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| [6c438f] | 23 | #include "LinearAlgebra/Vector.hpp"
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| 24 |
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| [b94634] | 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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| [b92e4a] | 28 | #include "Shapes/ShapeType.hpp"
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| [5de9da] | 29 |
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| [6acc2f3] | 30 | #include <algorithm>
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| 31 | #include <limits>
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| [cfda65] | 32 | #include <string>
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| 33 |
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| 34 |
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| [997784] | 35 | Shape::Shape(const Shape& src) :
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| 36 | impl(src.getImpl())
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| 37 | {}
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| 38 |
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| 39 | Shape::~Shape(){}
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| 40 |
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| [205d9b] | 41 | bool Shape::isInside(const Vector &point) const{
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| [997784] | 42 | return impl->isInside(point);
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| 43 | }
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| 44 |
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| [5de9da] | 45 | bool Shape::isOnSurface(const Vector &point) const{
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| 46 | return impl->isOnSurface(point);
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| 47 | }
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| 48 |
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| 49 | Vector Shape::getNormal(const Vector &point) const throw (NotOnSurfaceException){
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| 50 | return impl->getNormal(point);
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| 51 | }
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| 52 |
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| [6acc2f3] | 53 | Vector Shape::getCenter() const{
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| 54 | return impl->getCenter();
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| 55 | }
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| 56 |
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| 57 | double Shape::getRadius() const{
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| 58 | return impl->getRadius();
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| 59 | }
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| 60 |
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| [735940] | 61 | LineSegmentSet Shape::getLineIntersections(const Line &line) const{
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| [c6f395] | 62 | return impl->getLineIntersections(line);
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| 63 | }
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| 64 |
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| [9c1c89] | 65 | std::vector<Vector> Shape::getHomogeneousPointsOnSurface(const size_t N) const {
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| [c5186e] | 66 | return impl->getHomogeneousPointsOnSurface(N);
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| 67 | }
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| 68 |
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| [5a8d61] | 69 | std::vector<Vector> Shape::getHomogeneousPointsInVolume(const size_t N) const {
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| 70 | return impl->getHomogeneousPointsInVolume(N);
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| 71 | }
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| 72 |
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| [997784] | 73 | Shape::Shape(Shape::impl_ptr _impl) :
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| 74 | impl(_impl)
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| 75 | {}
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| 76 |
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| 77 | Shape &Shape::operator=(const Shape& rhs){
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| 78 | if(&rhs!=this){
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| 79 | impl=rhs.getImpl();
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| 80 | }
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| 81 | return *this;
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| 82 | }
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| 83 |
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| [b92e4a] | 84 | bool Shape::operator==(const Shape &rhs) const{
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| 85 | return (this->getType() == rhs.getType());
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| 86 | }
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| 87 |
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| [cfda65] | 88 | std::string Shape::toString() const{
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| 89 | return impl->toString();
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| 90 | }
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| 91 |
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| [b92e4a] | 92 | enum ShapeType Shape::getType() const{
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| 93 | return impl->getType();
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| 94 | }
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| 95 |
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| [997784] | 96 | Shape::impl_ptr Shape::getImpl() const{
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| 97 | return impl;
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| 98 | }
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| 99 |
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| [e09b70] | 100 | // allows arbitrary friendship, but only if implementation is known
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| 101 | Shape::impl_ptr getShapeImpl(const Shape &shape){
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| 102 | return shape.getImpl();
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| 103 | }
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| 104 |
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| [997784] | 105 | /***************************** Some simple Shapes ***************************/
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| 106 |
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| 107 | Shape Everywhere(){
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| 108 | static Shape::impl_ptr impl = Shape::impl_ptr(new Everywhere_impl());
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| 109 | return Shape(impl);
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| 110 | }
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| 111 |
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| 112 | Shape Nowhere(){
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| 113 | static Shape::impl_ptr impl = Shape::impl_ptr(new Nowhere_impl());
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| 114 | return Shape(impl);
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| 115 | }
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| 116 |
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| 117 | /****************************** Operators ***********************************/
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| 118 |
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| 119 | // AND
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| 120 |
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| 121 | AndShape_impl::AndShape_impl(const Shape::impl_ptr &_lhs, const Shape::impl_ptr &_rhs) :
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| 122 | lhs(_lhs),rhs(_rhs)
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| 123 | {}
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| 124 |
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| 125 | AndShape_impl::~AndShape_impl(){}
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| 126 |
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| [735940] | 127 | bool AndShape_impl::isInside(const Vector &point) const{
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| [997784] | 128 | return lhs->isInside(point) && rhs->isInside(point);
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| 129 | }
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| 130 |
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| [735940] | 131 | bool AndShape_impl::isOnSurface(const Vector &point) const{
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| [5de9da] | 132 | // check the number of surfaces that this point is on
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| 133 | int surfaces =0;
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| 134 | surfaces += lhs->isOnSurface(point);
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| 135 | surfaces += rhs->isOnSurface(point);
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| 136 |
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| 137 | switch(surfaces){
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| 138 | case 0:
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| 139 | return false;
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| 140 | // no break necessary
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| 141 | case 1:
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| 142 | // if it is inside for the object where it does not lie on
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| 143 | // the surface the whole point lies inside
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| [ef84ca] | 144 | return (lhs->isOnSurface(point) && rhs->isInside(point)) ||
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| 145 | (rhs->isOnSurface(point) && lhs->isInside(point));
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| [5de9da] | 146 | // no break necessary
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| 147 | case 2:
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| 148 | {
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| 149 | // it lies on both Shapes... could be an edge or an inner point
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| 150 | // test the direction of the normals
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| 151 | Vector direction=lhs->getNormal(point)+rhs->getNormal(point);
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| 152 | // if the directions are opposite we lie on the inside
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| 153 | return !direction.IsZero();
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| 154 | }
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| 155 | // no break necessary
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| 156 | default:
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| 157 | // if this happens there is something wrong
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| 158 | ASSERT(0,"Default case should have never been used");
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| 159 | }
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| 160 | return false; // never reached
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| 161 | }
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| 162 |
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| [735940] | 163 | Vector AndShape_impl::getNormal(const Vector &point) const throw (NotOnSurfaceException){
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| [5de9da] | 164 | Vector res;
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| 165 | if(!isOnSurface(point)){
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| [b94634] | 166 | throw NotOnSurfaceException() << ShapeVector(&point);
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| [5de9da] | 167 | }
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| 168 | res += lhs->isOnSurface(point)?lhs->getNormal(point):zeroVec;
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| 169 | res += rhs->isOnSurface(point)?rhs->getNormal(point):zeroVec;
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| 170 | res.Normalize();
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| 171 | return res;
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| 172 | }
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| 173 |
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| [6acc2f3] | 174 | Vector AndShape_impl::getCenter() const
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| 175 | {
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| 176 | // calculate closest position on sphere surface to other center ..
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| 177 | const Vector rhsDistance = rhs->getCenter() + rhs->getRadius()*((lhs->getCenter() - rhs->getCenter()).getNormalized());
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| 178 | const Vector lhsDistance = lhs->getCenter() + lhs->getRadius()*((rhs->getCenter() - lhs->getCenter()).getNormalized());
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| 179 | // .. and then it's right in between those two
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| 180 | return 0.5*(rhsDistance + lhsDistance);
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| 181 | }
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| 182 |
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| 183 | double AndShape_impl::getRadius() const
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| 184 | {
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| 185 | const double distance = (lhs->getCenter() - rhs->getCenter()).Norm();
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| 186 | const double minradii = std::min(lhs->getRadius(), rhs->getRadius());
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| 187 | // if no intersection
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| 188 | if (distance > (lhs->getRadius() + rhs->getRadius()))
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| 189 | return 0.;
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| 190 | else // if intersection it can only be the smaller one
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| 191 | return minradii;
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| 192 | }
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| 193 |
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| [735940] | 194 | LineSegmentSet AndShape_impl::getLineIntersections(const Line &line) const{
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| [c6f395] | 195 | return intersect(lhs->getLineIntersections(line),rhs->getLineIntersections(line));
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| 196 | }
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| 197 |
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| [b92e4a] | 198 | std::string AndShape_impl::toString() const{
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| [955b91] | 199 | return std::string("(") + lhs->toString() + std::string("&&") + rhs->toString() + std::string(")");
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| [cfda65] | 200 | }
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| 201 |
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| [b92e4a] | 202 | enum ShapeType AndShape_impl::getType() const{
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| 203 | return CombinedType;
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| 204 | }
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| 205 |
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| [9c1c89] | 206 | std::vector<Vector> AndShape_impl::getHomogeneousPointsOnSurface(const size_t N) const {
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| [23bade] | 207 | std::vector<Vector> PointsOnSurface_lhs = lhs->getHomogeneousPointsOnSurface(N);
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| 208 | std::vector<Vector> PointsOnSurface_rhs = rhs->getHomogeneousPointsOnSurface(N);
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| [c5186e] | 209 | std::vector<Vector> PointsOnSurface;
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| [23bade] | 210 |
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| 211 | for (std::vector<Vector>::const_iterator iter = PointsOnSurface_lhs.begin(); iter != PointsOnSurface_lhs.end(); ++iter) {
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| 212 | if (rhs->isInside(*iter))
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| 213 | PointsOnSurface.push_back(*iter);
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| 214 | }
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| 215 | for (std::vector<Vector>::const_iterator iter = PointsOnSurface_rhs.begin(); iter != PointsOnSurface_rhs.end(); ++iter) {
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| 216 | if (lhs->isInside(*iter))
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| 217 | PointsOnSurface.push_back(*iter);
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| 218 | }
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| 219 |
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| [c5186e] | 220 | return PointsOnSurface;
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| 221 | }
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| 222 |
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| [5a8d61] | 223 | std::vector<Vector> AndShape_impl::getHomogeneousPointsInVolume(const size_t N) const {
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| 224 | ASSERT(0,
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| 225 | "AndShape_impl::getHomogeneousPointsInVolume() - not implemented.");
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| 226 | return std::vector<Vector>();
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| 227 | }
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| 228 |
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| [c5186e] | 229 |
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| [997784] | 230 | Shape operator&&(const Shape &lhs,const Shape &rhs){
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| [e09b70] | 231 | Shape::impl_ptr newImpl = Shape::impl_ptr(new AndShape_impl(getShapeImpl(lhs),getShapeImpl(rhs)));
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| [997784] | 232 | return Shape(newImpl);
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| 233 | }
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| 234 |
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| 235 | // OR
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| 236 |
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| 237 | OrShape_impl::OrShape_impl(const Shape::impl_ptr &_lhs, const Shape::impl_ptr &_rhs) :
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| 238 | lhs(_lhs),rhs(_rhs)
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| 239 | {}
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| 240 |
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| 241 | OrShape_impl::~OrShape_impl(){}
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| 242 |
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| [735940] | 243 | bool OrShape_impl::isInside(const Vector &point) const{
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| [997784] | 244 | return rhs->isInside(point) || lhs->isInside(point);
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| 245 | }
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| 246 |
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| [735940] | 247 | bool OrShape_impl::isOnSurface(const Vector &point) const{
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| [5de9da] | 248 | // check the number of surfaces that this point is on
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| 249 | int surfaces =0;
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| 250 | surfaces += lhs->isOnSurface(point);
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| 251 | surfaces += rhs->isOnSurface(point);
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| 252 |
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| 253 | switch(surfaces){
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| 254 | case 0:
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| 255 | return false;
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| 256 | // no break necessary
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| 257 | case 1:
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| 258 | // if it is inside for the object where it does not lie on
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| 259 | // the surface the whole point lies inside
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| [ef84ca] | 260 | return (lhs->isOnSurface(point) && !rhs->isInside(point)) ||
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| 261 | (rhs->isOnSurface(point) && !lhs->isInside(point));
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| [5de9da] | 262 | // no break necessary
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| 263 | case 2:
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| 264 | {
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| 265 | // it lies on both Shapes... could be an edge or an inner point
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| 266 | // test the direction of the normals
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| 267 | Vector direction=lhs->getNormal(point)+rhs->getNormal(point);
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| 268 | // if the directions are opposite we lie on the inside
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| 269 | return !direction.IsZero();
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| 270 | }
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| 271 | // no break necessary
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| 272 | default:
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| 273 | // if this happens there is something wrong
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| 274 | ASSERT(0,"Default case should have never been used");
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| 275 | }
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| 276 | return false; // never reached
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| 277 | }
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| 278 |
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| [735940] | 279 | Vector OrShape_impl::getNormal(const Vector &point) const throw (NotOnSurfaceException){
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| [5de9da] | 280 | Vector res;
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| 281 | if(!isOnSurface(point)){
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| [b94634] | 282 | throw NotOnSurfaceException() << ShapeVector(&point);
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| [5de9da] | 283 | }
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| 284 | res += lhs->isOnSurface(point)?lhs->getNormal(point):zeroVec;
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| 285 | res += rhs->isOnSurface(point)?rhs->getNormal(point):zeroVec;
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| 286 | res.Normalize();
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| 287 | return res;
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| 288 | }
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| 289 |
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| [6acc2f3] | 290 | Vector OrShape_impl::getCenter() const
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| 291 | {
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| 292 | // calculate furthest position on sphere surface to other center ..
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| 293 | const Vector rhsDistance = rhs->getCenter() + rhs->getRadius()*((rhs->getCenter() - lhs->getCenter()).getNormalized());
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| 294 | const Vector lhsDistance = lhs->getCenter() + lhs->getRadius()*((lhs->getCenter() - rhs->getCenter()).getNormalized());
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| 295 | // .. and then it's right in between those two
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| 296 | return .5*(rhsDistance + lhsDistance);
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| 297 | }
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| 298 |
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| 299 | double OrShape_impl::getRadius() const
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| 300 | {
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| 301 | const Vector rhsDistance = rhs->getCenter() + rhs->getRadius()*((rhs->getCenter() - lhs->getCenter()).getNormalized());
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| 302 | const Vector lhsDistance = lhs->getCenter() + lhs->getRadius()*((lhs->getCenter() - rhs->getCenter()).getNormalized());
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| 303 | return .5*(rhsDistance - lhsDistance).Norm();
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| 304 | }
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| 305 |
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| [735940] | 306 | LineSegmentSet OrShape_impl::getLineIntersections(const Line &line) const{
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| [c6f395] | 307 | return merge(lhs->getLineIntersections(line),rhs->getLineIntersections(line));
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| 308 | }
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| 309 |
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| [b92e4a] | 310 | std::string OrShape_impl::toString() const{
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| [955b91] | 311 | return std::string("(") + lhs->toString() + std::string("||") + rhs->toString() + std::string(")");
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| [cfda65] | 312 | }
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| 313 |
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| [b92e4a] | 314 | enum ShapeType OrShape_impl::getType() const{
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| 315 | return CombinedType;
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| 316 | }
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| 317 |
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| [9c1c89] | 318 | std::vector<Vector> OrShape_impl::getHomogeneousPointsOnSurface(const size_t N) const {
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| [c5186e] | 319 | std::vector<Vector> PointsOnSurface_lhs = lhs->getHomogeneousPointsOnSurface(N);
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| 320 | std::vector<Vector> PointsOnSurface_rhs = rhs->getHomogeneousPointsOnSurface(N);
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| 321 | std::vector<Vector> PointsOnSurface;
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| 322 |
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| 323 | for (std::vector<Vector>::const_iterator iter = PointsOnSurface_lhs.begin(); iter != PointsOnSurface_lhs.end(); ++iter) {
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| 324 | if (!rhs->isInside(*iter))
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| 325 | PointsOnSurface.push_back(*iter);
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| 326 | }
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| 327 | for (std::vector<Vector>::const_iterator iter = PointsOnSurface_rhs.begin(); iter != PointsOnSurface_rhs.end(); ++iter) {
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| 328 | if (!lhs->isInside(*iter))
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| 329 | PointsOnSurface.push_back(*iter);
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| 330 | }
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| 331 |
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| 332 | return PointsOnSurface;
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| 333 | }
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| 334 |
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| [5a8d61] | 335 | std::vector<Vector> OrShape_impl::getHomogeneousPointsInVolume(const size_t N) const {
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| 336 | ASSERT(0,
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| 337 | "OrShape_impl::getHomogeneousPointsInVolume() - not implemented.");
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| 338 | return std::vector<Vector>();
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| 339 | }
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| 340 |
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| [997784] | 341 | Shape operator||(const Shape &lhs,const Shape &rhs){
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| [e09b70] | 342 | Shape::impl_ptr newImpl = Shape::impl_ptr(new OrShape_impl(getShapeImpl(lhs),getShapeImpl(rhs)));
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| [997784] | 343 | return Shape(newImpl);
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| 344 | }
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| 345 |
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| 346 | // NOT
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| 347 |
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| 348 | NotShape_impl::NotShape_impl(const Shape::impl_ptr &_arg) :
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| 349 | arg(_arg)
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| 350 | {}
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| 351 |
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| 352 | NotShape_impl::~NotShape_impl(){}
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| 353 |
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| [735940] | 354 | bool NotShape_impl::isInside(const Vector &point) const{
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| [997784] | 355 | return !arg->isInside(point);
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| 356 | }
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| 357 |
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| [735940] | 358 | bool NotShape_impl::isOnSurface(const Vector &point) const{
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| [5de9da] | 359 | return arg->isOnSurface(point);
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| 360 | }
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| 361 |
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| [735940] | 362 | Vector NotShape_impl::getNormal(const Vector &point) const throw(NotOnSurfaceException){
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| [b94634] | 363 | return -1.*arg->getNormal(point);
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| [5de9da] | 364 | }
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| 365 |
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| [6acc2f3] | 366 | Vector NotShape_impl::getCenter() const
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| 367 | {
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| 368 | return arg->getCenter();
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| 369 | }
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| 370 |
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| 371 | double NotShape_impl::getRadius() const
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| 372 | {
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| 373 | return std::numeric_limits<double>::infinity();
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| 374 | }
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| 375 |
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| [735940] | 376 | LineSegmentSet NotShape_impl::getLineIntersections(const Line &line) const{
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| [c6f395] | 377 | return invert(arg->getLineIntersections(line));
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| 378 | }
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| 379 |
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| [b92e4a] | 380 | std::string NotShape_impl::toString() const{
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| [955b91] | 381 | return std::string("!") + arg->toString();
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| [cfda65] | 382 | }
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| 383 |
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| [b92e4a] | 384 | enum ShapeType NotShape_impl::getType() const{
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| 385 | return CombinedType;
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| 386 | }
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| 387 |
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| [9c1c89] | 388 | std::vector<Vector> NotShape_impl::getHomogeneousPointsOnSurface(const size_t N) const {
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| [c5186e] | 389 | // surfaces are the same, only normal direction is different
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| 390 | return arg->getHomogeneousPointsOnSurface(N);
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| 391 | }
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| 392 |
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| [5a8d61] | 393 | std::vector<Vector> NotShape_impl::getHomogeneousPointsInVolume(const size_t N) const {
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| 394 | ASSERT(0,
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| 395 | "NotShape_impl::getHomogeneousPointsInVolume() - not implemented.");
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| 396 | return std::vector<Vector>();
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| 397 | }
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| 398 |
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| [997784] | 399 | Shape operator!(const Shape &arg){
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| [e09b70] | 400 | Shape::impl_ptr newImpl = Shape::impl_ptr(new NotShape_impl(getShapeImpl(arg)));
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| [997784] | 401 | return Shape(newImpl);
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| 402 | }
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| [cfda65] | 403 |
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| 404 | /**************** global operations *********************************/
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| [955b91] | 405 | std::ostream &operator<<(std::ostream &ost,const Shape &shape){
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| [cfda65] | 406 | ost << shape.toString();
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| 407 | return ost;
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| 408 | }
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