1 | /*
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2 | * Project: MoleCuilder
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3 | * Description: creates and alters molecular systems
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4 | * Copyright (C) 2010-2012 University of Bonn. All rights reserved.
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5 | *
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6 | *
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7 | * This file is part of MoleCuilder.
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8 | *
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9 | * MoleCuilder is free software: you can redistribute it and/or modify
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10 | * it under the terms of the GNU General Public License as published by
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11 | * the Free Software Foundation, either version 2 of the License, or
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12 | * (at your option) any later version.
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13 | *
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14 | * MoleCuilder is distributed in the hope that it will be useful,
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15 | * but WITHOUT ANY WARRANTY; without even the implied warranty of
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16 | * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the
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17 | * GNU General Public License for more details.
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18 | *
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19 | * You should have received a copy of the GNU General Public License
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20 | * along with MoleCuilder. If not, see <http://www.gnu.org/licenses/>.
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21 | */
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22 |
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23 | /*
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24 | * Shape.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 "CodePatterns/MemDebug.hpp"
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36 |
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37 | #include "CodePatterns/Assert.hpp"
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38 | #include "LinearAlgebra/Vector.hpp"
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39 |
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40 | #include "Shapes/Shape.hpp"
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41 | #include "Shapes/Shape_impl.hpp"
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42 | #include "Shapes/ShapeExceptions.hpp"
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43 | #include "Shapes/ShapeType.hpp"
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44 |
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45 | #include "Tesselation/ApproximateShapeArea.hpp"
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46 | #include "Tesselation/ApproximateShapeVolume.hpp"
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47 |
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48 | #include <algorithm>
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49 | #include <limits>
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50 | #include <string>
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51 |
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52 |
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53 | Shape::Shape(const Shape& src) :
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54 | impl(src.getImpl())
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55 | {}
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56 |
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57 | Shape::~Shape(){}
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58 |
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59 | bool Shape::isInside(const Vector &point) const{
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60 | return impl->isInside(point);
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61 | }
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62 |
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63 | bool Shape::isOnSurface(const Vector &point) const{
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64 | return impl->isOnSurface(point);
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65 | }
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66 |
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67 | Vector Shape::getNormal(const Vector &point) const throw (NotOnSurfaceException){
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68 | return impl->getNormal(point);
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69 | }
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70 |
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71 | Vector Shape::getCenter() const{
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72 | return impl->getCenter();
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73 | }
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74 |
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75 | double Shape::getRadius() const{
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76 | return impl->getRadius();
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77 | }
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78 |
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79 | /** Returns the volume of the Shape.
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80 | *
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81 | * If the underlying implementation does not have a working implementation,
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82 | * i.e. returns -1., then we use an approximate method to calculate the
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83 | * volume via a mesh of grid points and checking for isInside (basically
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84 | * a Monte-Carlo integration of the volume).
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85 | *
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86 | * \return volume of the shape
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87 | */
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88 | double Shape::getVolume() const
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89 | {
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90 | const double volume = impl->getVolume();
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91 | if (volume != -1.) {
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92 | return volume;
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93 | } else {
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94 | ApproximateShapeVolume Approximator(*this);
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95 | return Approximator();
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96 | }
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97 | }
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98 |
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99 | /** Returns the surface area of the Shape.
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100 | *
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101 | * If the underlying implementation does not have a working implementation,
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102 | * i.e. returns -1., then we use the working filling of the shapes surface
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103 | * with points and subsequent tesselation and obtaining the approximate
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104 | * surface area therefrom.
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105 | *
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106 | * @return surface area of the Shape
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107 | */
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108 | double Shape::getSurfaceArea() const
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109 | {
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110 | const double surfacearea = impl->getSurfaceArea();
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111 | if (surfacearea != -1.) {
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112 | return surfacearea;
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113 | } else {
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114 | ApproximateShapeArea Approximator(*this);
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115 | return Approximator();
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116 | }
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117 | }
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118 |
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119 | LineSegmentSet Shape::getLineIntersections(const Line &line) const{
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120 | return impl->getLineIntersections(line);
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121 | }
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122 |
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123 | std::vector<Vector> Shape::getHomogeneousPointsOnSurface(const size_t N) const {
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124 | return impl->getHomogeneousPointsOnSurface(N);
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125 | }
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126 |
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127 | std::vector<Vector> Shape::getHomogeneousPointsInVolume(const size_t N) const {
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128 | return impl->getHomogeneousPointsInVolume(N);
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129 | }
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130 |
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131 | Shape::Shape(Shape::impl_ptr _impl) :
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132 | impl(_impl)
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133 | {}
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134 |
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135 | Shape &Shape::operator=(const Shape& rhs){
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136 | if(&rhs!=this){
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137 | impl=rhs.getImpl();
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138 | }
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139 | return *this;
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140 | }
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141 |
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142 | bool Shape::operator==(const Shape &rhs) const{
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143 | return (this->getType() == rhs.getType());
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144 | }
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145 |
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146 | std::string Shape::toString() const{
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147 | return impl->toString();
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148 | }
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149 |
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150 | enum ShapeType Shape::getType() const{
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151 | return impl->getType();
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152 | }
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153 |
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154 | Shape::impl_ptr Shape::getImpl() const{
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155 | return impl;
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156 | }
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157 |
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158 | // allows arbitrary friendship, but only if implementation is known
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159 | Shape::impl_ptr getShapeImpl(const Shape &shape){
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160 | return shape.getImpl();
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161 | }
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162 |
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163 | /***************************** Some simple Shapes ***************************/
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164 |
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165 | Shape Everywhere(){
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166 | static Shape::impl_ptr impl = Shape::impl_ptr(new Everywhere_impl());
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167 | return Shape(impl);
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168 | }
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169 |
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170 | Shape Nowhere(){
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171 | static Shape::impl_ptr impl = Shape::impl_ptr(new Nowhere_impl());
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172 | return Shape(impl);
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173 | }
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174 |
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175 | /****************************** Operators ***********************************/
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176 |
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177 | // AND
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178 |
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179 | AndShape_impl::AndShape_impl(const Shape::impl_ptr &_lhs, const Shape::impl_ptr &_rhs) :
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180 | lhs(_lhs),rhs(_rhs)
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181 | {}
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182 |
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183 | AndShape_impl::~AndShape_impl(){}
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184 |
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185 | bool AndShape_impl::isInside(const Vector &point) const{
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186 | return lhs->isInside(point) && rhs->isInside(point);
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187 | }
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188 |
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189 | bool AndShape_impl::isOnSurface(const Vector &point) const{
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190 | // check the number of surfaces that this point is on
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191 | int surfaces =0;
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192 | surfaces += lhs->isOnSurface(point);
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193 | surfaces += rhs->isOnSurface(point);
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194 |
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195 | switch(surfaces){
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196 | case 0:
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197 | return false;
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198 | // no break necessary
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199 | case 1:
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200 | // if it is inside for the object where it does not lie on
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201 | // the surface the whole point lies inside
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202 | return (lhs->isOnSurface(point) && rhs->isInside(point)) ||
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203 | (rhs->isOnSurface(point) && lhs->isInside(point));
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204 | // no break necessary
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205 | case 2:
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206 | {
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207 | // it lies on both Shapes... could be an edge or an inner point
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208 | // test the direction of the normals
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209 | Vector direction=lhs->getNormal(point)+rhs->getNormal(point);
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210 | // if the directions are opposite we lie on the inside
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211 | return !direction.IsZero();
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212 | }
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213 | // no break necessary
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214 | default:
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215 | // if this happens there is something wrong
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216 | ASSERT(0,"Default case should have never been used");
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217 | }
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218 | return false; // never reached
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219 | }
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220 |
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221 | Vector AndShape_impl::getNormal(const Vector &point) const throw (NotOnSurfaceException){
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222 | Vector res;
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223 | if(!isOnSurface(point)){
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224 | throw NotOnSurfaceException() << ShapeVector(&point);
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225 | }
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226 | res += lhs->isOnSurface(point)?lhs->getNormal(point):zeroVec;
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227 | res += rhs->isOnSurface(point)?rhs->getNormal(point):zeroVec;
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228 | res.Normalize();
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229 | return res;
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230 | }
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231 |
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232 | Vector AndShape_impl::getCenter() const
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233 | {
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234 | // calculate closest position on sphere surface to other center ..
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235 | const Vector rhsDistance = rhs->getCenter() + rhs->getRadius()*((lhs->getCenter() - rhs->getCenter()).getNormalized());
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236 | const Vector lhsDistance = lhs->getCenter() + lhs->getRadius()*((rhs->getCenter() - lhs->getCenter()).getNormalized());
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237 | // .. and then it's right in between those two
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238 | return 0.5*(rhsDistance + lhsDistance);
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239 | }
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240 |
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241 | double AndShape_impl::getRadius() const
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242 | {
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243 | const double distance = (lhs->getCenter() - rhs->getCenter()).Norm();
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244 | const double minradii = std::min(lhs->getRadius(), rhs->getRadius());
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245 | // if no intersection
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246 | if (distance > (lhs->getRadius() + rhs->getRadius()))
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247 | return 0.;
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248 | else // if intersection it can only be the smaller one
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249 | return minradii;
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250 | }
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251 |
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252 | double AndShape_impl::getVolume() const
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253 | {
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254 | // TODO
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255 | return -1.;
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256 | }
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257 |
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258 | double AndShape_impl::getSurfaceArea() const
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259 | {
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260 | // TODO
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261 | return -1.;
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262 | }
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263 |
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264 | LineSegmentSet AndShape_impl::getLineIntersections(const Line &line) const{
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265 | return intersect(lhs->getLineIntersections(line),rhs->getLineIntersections(line));
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266 | }
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267 |
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268 | std::string AndShape_impl::toString() const{
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269 | return std::string("(") + lhs->toString() + std::string("&&") + rhs->toString() + std::string(")");
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270 | }
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271 |
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272 | enum ShapeType AndShape_impl::getType() const{
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273 | return CombinedType;
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274 | }
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275 |
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276 | std::vector<Vector> AndShape_impl::getHomogeneousPointsOnSurface(const size_t N) const {
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277 | std::vector<Vector> PointsOnSurface_lhs = lhs->getHomogeneousPointsOnSurface(N);
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278 | std::vector<Vector> PointsOnSurface_rhs = rhs->getHomogeneousPointsOnSurface(N);
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279 | std::vector<Vector> PointsOnSurface;
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280 |
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281 | for (std::vector<Vector>::const_iterator iter = PointsOnSurface_lhs.begin(); iter != PointsOnSurface_lhs.end(); ++iter) {
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282 | if (rhs->isInside(*iter))
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283 | PointsOnSurface.push_back(*iter);
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284 | }
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285 | for (std::vector<Vector>::const_iterator iter = PointsOnSurface_rhs.begin(); iter != PointsOnSurface_rhs.end(); ++iter) {
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286 | if (lhs->isInside(*iter))
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287 | PointsOnSurface.push_back(*iter);
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288 | }
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289 |
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290 | return PointsOnSurface;
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291 | }
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292 |
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293 | std::vector<Vector> AndShape_impl::getHomogeneousPointsInVolume(const size_t N) const {
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294 | ASSERT(0,
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295 | "AndShape_impl::getHomogeneousPointsInVolume() - not implemented.");
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296 | return std::vector<Vector>();
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297 | }
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298 |
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299 |
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300 | Shape operator&&(const Shape &lhs,const Shape &rhs){
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301 | Shape::impl_ptr newImpl = Shape::impl_ptr(new AndShape_impl(getShapeImpl(lhs),getShapeImpl(rhs)));
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302 | return Shape(newImpl);
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303 | }
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304 |
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305 | // OR
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306 |
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307 | OrShape_impl::OrShape_impl(const Shape::impl_ptr &_lhs, const Shape::impl_ptr &_rhs) :
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308 | lhs(_lhs),rhs(_rhs)
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309 | {}
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310 |
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311 | OrShape_impl::~OrShape_impl(){}
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312 |
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313 | bool OrShape_impl::isInside(const Vector &point) const{
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314 | return rhs->isInside(point) || lhs->isInside(point);
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315 | }
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316 |
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317 | bool OrShape_impl::isOnSurface(const Vector &point) const{
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318 | // check the number of surfaces that this point is on
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319 | int surfaces =0;
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320 | surfaces += lhs->isOnSurface(point);
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321 | surfaces += rhs->isOnSurface(point);
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322 |
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323 | switch(surfaces){
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324 | case 0:
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325 | return false;
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326 | // no break necessary
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327 | case 1:
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328 | // if it is inside for the object where it does not lie on
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329 | // the surface the whole point lies inside
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330 | return (lhs->isOnSurface(point) && !rhs->isInside(point)) ||
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331 | (rhs->isOnSurface(point) && !lhs->isInside(point));
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332 | // no break necessary
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333 | case 2:
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334 | {
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335 | // it lies on both Shapes... could be an edge or an inner point
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336 | // test the direction of the normals
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337 | Vector direction=lhs->getNormal(point)+rhs->getNormal(point);
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338 | // if the directions are opposite we lie on the inside
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339 | return !direction.IsZero();
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340 | }
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341 | // no break necessary
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342 | default:
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343 | // if this happens there is something wrong
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344 | ASSERT(0,"Default case should have never been used");
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345 | }
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346 | return false; // never reached
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347 | }
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348 |
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349 | Vector OrShape_impl::getNormal(const Vector &point) const throw (NotOnSurfaceException){
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350 | Vector res;
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351 | if(!isOnSurface(point)){
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352 | throw NotOnSurfaceException() << ShapeVector(&point);
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353 | }
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354 | res += lhs->isOnSurface(point)?lhs->getNormal(point):zeroVec;
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355 | res += rhs->isOnSurface(point)?rhs->getNormal(point):zeroVec;
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356 | res.Normalize();
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357 | return res;
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358 | }
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359 |
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360 | Vector OrShape_impl::getCenter() const
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361 | {
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362 | // calculate furthest position on sphere surface to other center ..
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363 | const Vector rhsDistance = rhs->getCenter() + rhs->getRadius()*((rhs->getCenter() - lhs->getCenter()).getNormalized());
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364 | const Vector lhsDistance = lhs->getCenter() + lhs->getRadius()*((lhs->getCenter() - rhs->getCenter()).getNormalized());
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365 | // .. and then it's right in between those two
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366 | return .5*(rhsDistance + lhsDistance);
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367 | }
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368 |
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369 | double OrShape_impl::getRadius() const
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370 | {
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371 | const Vector rhsDistance = rhs->getCenter() + rhs->getRadius()*((rhs->getCenter() - lhs->getCenter()).getNormalized());
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372 | const Vector lhsDistance = lhs->getCenter() + lhs->getRadius()*((lhs->getCenter() - rhs->getCenter()).getNormalized());
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373 | return .5*(rhsDistance - lhsDistance).Norm();
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374 | }
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375 |
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376 | double OrShape_impl::getVolume() const
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377 | {
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378 | // TODO
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379 | return -1.;
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380 | }
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381 |
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382 | double OrShape_impl::getSurfaceArea() const
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383 | {
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384 | // TODO
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385 | return -1.;
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386 | }
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387 |
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388 | LineSegmentSet OrShape_impl::getLineIntersections(const Line &line) const{
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389 | return merge(lhs->getLineIntersections(line),rhs->getLineIntersections(line));
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390 | }
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391 |
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392 | std::string OrShape_impl::toString() const{
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393 | return std::string("(") + lhs->toString() + std::string("||") + rhs->toString() + std::string(")");
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394 | }
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395 |
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396 | enum ShapeType OrShape_impl::getType() const{
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397 | return CombinedType;
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398 | }
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399 |
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400 | std::vector<Vector> OrShape_impl::getHomogeneousPointsOnSurface(const size_t N) const {
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401 | std::vector<Vector> PointsOnSurface_lhs = lhs->getHomogeneousPointsOnSurface(N);
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402 | std::vector<Vector> PointsOnSurface_rhs = rhs->getHomogeneousPointsOnSurface(N);
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403 | std::vector<Vector> PointsOnSurface;
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404 |
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405 | for (std::vector<Vector>::const_iterator iter = PointsOnSurface_lhs.begin(); iter != PointsOnSurface_lhs.end(); ++iter) {
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406 | if (!rhs->isInside(*iter))
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407 | PointsOnSurface.push_back(*iter);
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408 | }
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409 | for (std::vector<Vector>::const_iterator iter = PointsOnSurface_rhs.begin(); iter != PointsOnSurface_rhs.end(); ++iter) {
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410 | if (!lhs->isInside(*iter))
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411 | PointsOnSurface.push_back(*iter);
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412 | }
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413 |
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414 | return PointsOnSurface;
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415 | }
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416 |
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417 | std::vector<Vector> OrShape_impl::getHomogeneousPointsInVolume(const size_t N) const {
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418 | ASSERT(0,
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419 | "OrShape_impl::getHomogeneousPointsInVolume() - not implemented.");
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420 | return std::vector<Vector>();
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421 | }
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422 |
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423 | Shape operator||(const Shape &lhs,const Shape &rhs){
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424 | Shape::impl_ptr newImpl = Shape::impl_ptr(new OrShape_impl(getShapeImpl(lhs),getShapeImpl(rhs)));
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425 | return Shape(newImpl);
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426 | }
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427 |
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428 | // NOT
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429 |
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430 | NotShape_impl::NotShape_impl(const Shape::impl_ptr &_arg) :
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431 | arg(_arg)
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432 | {}
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433 |
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434 | NotShape_impl::~NotShape_impl(){}
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435 |
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436 | bool NotShape_impl::isInside(const Vector &point) const{
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437 | return !arg->isInside(point);
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438 | }
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439 |
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440 | bool NotShape_impl::isOnSurface(const Vector &point) const{
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441 | return arg->isOnSurface(point);
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442 | }
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443 |
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444 | Vector NotShape_impl::getNormal(const Vector &point) const throw(NotOnSurfaceException){
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445 | return -1.*arg->getNormal(point);
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446 | }
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447 |
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448 | Vector NotShape_impl::getCenter() const
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449 | {
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450 | return arg->getCenter();
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451 | }
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452 |
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453 | double NotShape_impl::getRadius() const
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454 | {
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455 | return std::numeric_limits<double>::infinity();
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456 | }
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457 |
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458 | double NotShape_impl::getVolume() const
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459 | {
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460 | // TODO
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461 | return -1.; //-arg->getVolume();
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462 | }
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463 |
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464 | double NotShape_impl::getSurfaceArea() const
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465 | {
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466 | // TODO
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467 | return -1.; // -arg->getSurfaceArea();
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468 | }
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469 |
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470 | LineSegmentSet NotShape_impl::getLineIntersections(const Line &line) const{
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471 | return invert(arg->getLineIntersections(line));
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472 | }
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473 |
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474 | std::string NotShape_impl::toString() const{
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475 | return std::string("!") + arg->toString();
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476 | }
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477 |
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478 | enum ShapeType NotShape_impl::getType() const{
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479 | return CombinedType;
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480 | }
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481 |
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482 | std::vector<Vector> NotShape_impl::getHomogeneousPointsOnSurface(const size_t N) const {
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483 | // surfaces are the same, only normal direction is different
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484 | return arg->getHomogeneousPointsOnSurface(N);
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485 | }
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486 |
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487 | std::vector<Vector> NotShape_impl::getHomogeneousPointsInVolume(const size_t N) const {
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488 | ASSERT(0,
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489 | "NotShape_impl::getHomogeneousPointsInVolume() - not implemented.");
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490 | return std::vector<Vector>();
|
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491 | }
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492 |
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493 | Shape operator!(const Shape &arg){
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494 | Shape::impl_ptr newImpl = Shape::impl_ptr(new NotShape_impl(getShapeImpl(arg)));
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495 | return Shape(newImpl);
|
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496 | }
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497 |
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498 | /**************** global operations *********************************/
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499 | std::ostream &operator<<(std::ostream &ost,const Shape &shape){
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500 | ost << shape.toString();
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501 | return ost;
|
---|
502 | }
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