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 <boost/bind.hpp>
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49 | #include <algorithm>
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50 | #include <limits>
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51 | #include <string>
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52 |
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53 |
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54 | Shape::Shape(const Shape& src) :
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55 | impl(src.getImpl()), name(src.getName())
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56 | {}
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57 |
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58 | Shape::~Shape(){}
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59 |
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60 | bool Shape::isInside(const Vector &point) const{
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61 | return impl->isInside(point);
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62 | }
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63 |
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64 | bool Shape::isOnSurface(const Vector &point) const{
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65 | return impl->isOnSurface(point);
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66 | }
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67 |
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68 | Vector Shape::getNormal(const Vector &point) const throw (NotOnSurfaceException){
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69 | return impl->getNormal(point);
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70 | }
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71 |
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72 | Vector Shape::getCenter() const{
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73 | return impl->getCenter();
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74 | }
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75 |
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76 | double Shape::getRadius() const{
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77 | return impl->getRadius();
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78 | }
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79 |
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80 | void Shape::setName(const std::string &_name){
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81 | name = _name;
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82 | }
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83 |
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84 | std::string Shape::getName() const{
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85 | return name;
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86 | }
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87 |
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88 | /** Returns the volume of the Shape.
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89 | *
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90 | * If the underlying implementation does not have a working implementation,
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91 | * i.e. returns -1., then we use an approximate method to calculate the
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92 | * volume via a mesh of grid points and checking for isInside (basically
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93 | * a Monte-Carlo integration of the volume).
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94 | *
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95 | * \return volume of the shape
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96 | */
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97 | double Shape::getVolume() const
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98 | {
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99 | const double volume = impl->getVolume();
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100 | if (volume != -1.) {
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101 | return volume;
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102 | } else {
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103 | ApproximateShapeVolume Approximator(*this);
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104 | return Approximator();
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105 | }
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106 | }
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107 |
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108 | /** Returns the surface area of the Shape.
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109 | *
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110 | * If the underlying implementation does not have a working implementation,
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111 | * i.e. returns -1., then we use the working filling of the shapes surface
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112 | * with points and subsequent tesselation and obtaining the approximate
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113 | * surface area therefrom.
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114 | *
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115 | * @return surface area of the Shape
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116 | */
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117 | double Shape::getSurfaceArea() const
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118 | {
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119 | const double surfacearea = impl->getSurfaceArea();
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120 | if (surfacearea != -1.) {
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121 | return surfacearea;
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122 | } else {
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123 | ApproximateShapeArea Approximator(*this);
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124 | return Approximator();
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125 | }
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126 | }
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127 |
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128 | LineSegmentSet Shape::getLineIntersections(const Line &line) const{
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129 | return impl->getLineIntersections(line);
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130 | }
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131 |
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132 | std::vector<Vector> Shape::getHomogeneousPointsOnSurface(const size_t N) const {
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133 | return impl->getHomogeneousPointsOnSurface(N);
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134 | }
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135 |
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136 | std::vector<Vector> Shape::getHomogeneousPointsInVolume(const size_t N) const {
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137 | return impl->getHomogeneousPointsInVolume(N);
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138 | }
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139 |
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140 | Shape::Shape(Shape::impl_ptr _impl) :
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141 | impl(_impl)
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142 | {}
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143 |
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144 | Shape &Shape::operator=(const Shape& rhs){
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145 | if(&rhs!=this){
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146 | impl=rhs.getImpl();
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147 | }
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148 | return *this;
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149 | }
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150 |
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151 | bool Shape::operator==(const Shape &rhs) const{
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152 | return (this->getType() == rhs.getType());
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153 | }
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154 |
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155 | std::string Shape::toString() const {
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156 | return impl->toString();
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157 | }
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158 |
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159 | enum ShapeType Shape::getType() const{
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160 | return impl->getType();
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161 | }
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162 |
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163 | Shape::impl_ptr Shape::getImpl() const{
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164 | return impl;
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165 | }
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166 |
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167 | // allows arbitrary friendship, but only if implementation is known
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168 | Shape::impl_ptr getShapeImpl(const Shape &shape){
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169 | return shape.getImpl();
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170 | }
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171 |
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172 | /***************************** Some simple Shapes ***************************/
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173 |
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174 | Shape Everywhere(){
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175 | static Shape::impl_ptr impl = Shape::impl_ptr(new Everywhere_impl());
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176 | return Shape(impl);
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177 | }
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178 |
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179 | Shape Nowhere(){
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180 | static Shape::impl_ptr impl = Shape::impl_ptr(new Nowhere_impl());
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181 | return Shape(impl);
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182 | }
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183 |
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184 | /****************************** Operators ***********************************/
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185 |
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186 | // AND
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187 |
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188 | AndShape_impl::AndShape_impl(const Shape::impl_ptr &_lhs, const Shape::impl_ptr &_rhs) :
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189 | lhs(_lhs),
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190 | rhs(_rhs),
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191 | radius(NULL, boost::bind(&AndShape_impl::calculateRadius, this), "radius"),
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192 | center(NULL, boost::bind(&AndShape_impl::calculateCenter, this), "center")
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193 | {}
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194 |
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195 | AndShape_impl::~AndShape_impl(){}
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196 |
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197 | bool AndShape_impl::isInside(const Vector &point) const{
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198 | return lhs->isInside(point) && rhs->isInside(point);
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199 | }
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200 |
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201 | bool AndShape_impl::isOnSurface(const Vector &point) const{
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202 | // check the number of surfaces that this point is on
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203 | int surfaces =0;
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204 | surfaces += lhs->isOnSurface(point);
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205 | surfaces += rhs->isOnSurface(point);
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206 |
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207 | switch(surfaces){
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208 | case 0:
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209 | return false;
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210 | // no break necessary
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211 | case 1:
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212 | // if it is inside for the object where it does not lie on
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213 | // the surface the whole point lies inside
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214 | return (lhs->isOnSurface(point) && rhs->isInside(point)) ||
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215 | (rhs->isOnSurface(point) && lhs->isInside(point));
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216 | // no break necessary
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217 | case 2:
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218 | {
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219 | // it lies on both Shapes... could be an edge or an inner point
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220 | // test the direction of the normals
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221 | Vector direction=lhs->getNormal(point)+rhs->getNormal(point);
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222 | // if the directions are opposite we lie on the inside
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223 | return !direction.IsZero();
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224 | }
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225 | // no break necessary
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226 | default:
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227 | // if this happens there is something wrong
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228 | ASSERT(0,"Default case should have never been used");
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229 | }
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230 | return false; // never reached
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231 | }
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232 |
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233 | Vector AndShape_impl::getNormal(const Vector &point) const throw (NotOnSurfaceException){
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234 | Vector res;
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235 | if(!isOnSurface(point)){
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236 | throw NotOnSurfaceException() << ShapeVector(&point);
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237 | }
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238 | res += lhs->isOnSurface(point)?lhs->getNormal(point):zeroVec;
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239 | res += rhs->isOnSurface(point)?rhs->getNormal(point):zeroVec;
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240 | res.Normalize();
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241 | return res;
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242 | }
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243 |
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244 | Vector AndShape_impl::calculateCenter() const
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245 | {
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246 | // calculate closest position on sphere surface to other center ..
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247 | const Vector rhsDistance = rhs->getCenter() + rhs->getRadius()*((lhs->getCenter() - rhs->getCenter()).getNormalized());
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248 | const Vector lhsDistance = lhs->getCenter() + lhs->getRadius()*((rhs->getCenter() - lhs->getCenter()).getNormalized());
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249 | // .. and then it's right in between those two
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250 | return 0.5*(rhsDistance + lhsDistance);
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251 | }
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252 |
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253 | double AndShape_impl::calculateRadius() const
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254 | {
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255 | const double distance = (lhs->getCenter() - rhs->getCenter()).Norm();
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256 | const double minradii = std::min(lhs->getRadius(), rhs->getRadius());
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257 | // if no intersection
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258 | if (distance > (lhs->getRadius() + rhs->getRadius()))
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259 | return 0.;
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260 | else // if intersection it can only be the smaller one
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261 | return minradii;
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262 | }
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263 |
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264 | double AndShape_impl::getVolume() const
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265 | {
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266 | // TODO
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267 | return -1.;
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268 | }
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269 |
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270 | double AndShape_impl::getSurfaceArea() const
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271 | {
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272 | // TODO
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273 | return -1.;
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274 | }
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275 |
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276 | LineSegmentSet AndShape_impl::getLineIntersections(const Line &line) const{
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277 | return intersect(lhs->getLineIntersections(line),rhs->getLineIntersections(line));
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278 | }
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279 |
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280 | std::string AndShape_impl::toString() const{
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281 | return std::string("(") + lhs->toString() + std::string("&&") + rhs->toString() + std::string(")");
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282 | }
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283 |
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284 | enum ShapeType AndShape_impl::getType() const{
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285 | return CombinedType;
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286 | }
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287 |
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288 | std::vector<Vector> AndShape_impl::getHomogeneousPointsOnSurface(const size_t N) const {
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289 | std::vector<Vector> PointsOnSurface_lhs = lhs->getHomogeneousPointsOnSurface(N);
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290 | std::vector<Vector> PointsOnSurface_rhs = rhs->getHomogeneousPointsOnSurface(N);
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291 | std::vector<Vector> PointsOnSurface;
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292 |
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293 | for (std::vector<Vector>::const_iterator iter = PointsOnSurface_lhs.begin(); iter != PointsOnSurface_lhs.end(); ++iter) {
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294 | if (rhs->isInside(*iter))
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295 | PointsOnSurface.push_back(*iter);
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296 | }
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297 | for (std::vector<Vector>::const_iterator iter = PointsOnSurface_rhs.begin(); iter != PointsOnSurface_rhs.end(); ++iter) {
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298 | if (lhs->isInside(*iter))
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299 | PointsOnSurface.push_back(*iter);
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300 | }
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301 |
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302 | return PointsOnSurface;
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303 | }
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304 |
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305 | std::vector<Vector> AndShape_impl::getHomogeneousPointsInVolume(const size_t N) const {
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306 | ASSERT(0,
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307 | "AndShape_impl::getHomogeneousPointsInVolume() - not implemented.");
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308 | return std::vector<Vector>();
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309 | }
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310 |
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311 |
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312 | Shape operator&&(const Shape &lhs,const Shape &rhs){
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313 | Shape::impl_ptr newImpl = Shape::impl_ptr(new AndShape_impl(getShapeImpl(lhs),getShapeImpl(rhs)));
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314 | return Shape(newImpl);
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315 | }
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316 |
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317 | // OR
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318 |
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319 | OrShape_impl::OrShape_impl(const Shape::impl_ptr &_lhs, const Shape::impl_ptr &_rhs) :
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320 | lhs(_lhs),
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321 | rhs(_rhs),
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322 | radius(NULL, boost::bind(&OrShape_impl::calculateRadius, this), "radius"),
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323 | center(NULL, boost::bind(&OrShape_impl::calculateCenter, this), "center")
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324 | {}
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325 |
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326 | OrShape_impl::~OrShape_impl(){}
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327 |
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328 | bool OrShape_impl::isInside(const Vector &point) const{
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329 | return rhs->isInside(point) || lhs->isInside(point);
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330 | }
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331 |
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332 | bool OrShape_impl::isOnSurface(const Vector &point) const{
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333 | // check the number of surfaces that this point is on
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334 | int surfaces =0;
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335 | surfaces += lhs->isOnSurface(point);
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336 | surfaces += rhs->isOnSurface(point);
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337 |
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338 | switch(surfaces){
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339 | case 0:
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340 | return false;
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341 | // no break necessary
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342 | case 1:
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343 | // if it is inside for the object where it does not lie on
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344 | // the surface the whole point lies inside
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345 | return (lhs->isOnSurface(point) && !rhs->isInside(point)) ||
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346 | (rhs->isOnSurface(point) && !lhs->isInside(point));
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347 | // no break necessary
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348 | case 2:
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349 | {
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350 | // it lies on both Shapes... could be an edge or an inner point
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351 | // test the direction of the normals
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352 | Vector direction=lhs->getNormal(point)+rhs->getNormal(point);
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353 | // if the directions are opposite we lie on the inside
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354 | return !direction.IsZero();
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355 | }
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356 | // no break necessary
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357 | default:
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358 | // if this happens there is something wrong
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359 | ASSERT(0,"Default case should have never been used");
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360 | }
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361 | return false; // never reached
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362 | }
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363 |
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364 | Vector OrShape_impl::getNormal(const Vector &point) const throw (NotOnSurfaceException){
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365 | Vector res;
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366 | if(!isOnSurface(point)){
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367 | throw NotOnSurfaceException() << ShapeVector(&point);
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368 | }
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369 | res += lhs->isOnSurface(point)?lhs->getNormal(point):zeroVec;
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370 | res += rhs->isOnSurface(point)?rhs->getNormal(point):zeroVec;
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371 | res.Normalize();
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372 | return res;
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373 | }
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374 |
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375 | Vector OrShape_impl::calculateCenter() const
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376 | {
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377 | // calculate furthest position on sphere surface to other center ..
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378 | const Vector rhsDistance = rhs->getCenter() + rhs->getRadius()*((rhs->getCenter() - lhs->getCenter()).getNormalized());
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379 | const Vector lhsDistance = lhs->getCenter() + lhs->getRadius()*((lhs->getCenter() - rhs->getCenter()).getNormalized());
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380 | // .. and then it's right in between those two
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381 | return .5*(rhsDistance + lhsDistance);
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382 | }
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383 |
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384 | double OrShape_impl::calculateRadius() const
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385 | {
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386 | const Vector rhsDistance = rhs->getCenter() + rhs->getRadius()*((rhs->getCenter() - lhs->getCenter()).getNormalized());
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387 | const Vector lhsDistance = lhs->getCenter() + lhs->getRadius()*((lhs->getCenter() - rhs->getCenter()).getNormalized());
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388 | return .5*(rhsDistance - lhsDistance).Norm();
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389 | }
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390 |
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391 | double OrShape_impl::getVolume() const
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392 | {
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393 | // TODO
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394 | return -1.;
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395 | }
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396 |
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397 | double OrShape_impl::getSurfaceArea() const
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398 | {
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399 | // TODO
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400 | return -1.;
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401 | }
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402 |
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403 | LineSegmentSet OrShape_impl::getLineIntersections(const Line &line) const{
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404 | return merge(lhs->getLineIntersections(line),rhs->getLineIntersections(line));
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405 | }
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406 |
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407 | std::string OrShape_impl::toString() const{
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408 | return std::string("(") + lhs->toString() + std::string("||") + rhs->toString() + std::string(")");
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409 | }
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410 |
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411 | enum ShapeType OrShape_impl::getType() const{
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412 | return CombinedType;
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413 | }
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414 |
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415 | std::vector<Vector> OrShape_impl::getHomogeneousPointsOnSurface(const size_t N) const {
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416 | std::vector<Vector> PointsOnSurface_lhs = lhs->getHomogeneousPointsOnSurface(N);
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417 | std::vector<Vector> PointsOnSurface_rhs = rhs->getHomogeneousPointsOnSurface(N);
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418 | std::vector<Vector> PointsOnSurface;
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419 |
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420 | for (std::vector<Vector>::const_iterator iter = PointsOnSurface_lhs.begin(); iter != PointsOnSurface_lhs.end(); ++iter) {
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421 | if (!rhs->isInside(*iter))
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422 | PointsOnSurface.push_back(*iter);
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423 | }
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424 | for (std::vector<Vector>::const_iterator iter = PointsOnSurface_rhs.begin(); iter != PointsOnSurface_rhs.end(); ++iter) {
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425 | if (!lhs->isInside(*iter))
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426 | PointsOnSurface.push_back(*iter);
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427 | }
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428 |
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429 | return PointsOnSurface;
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430 | }
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431 |
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432 | std::vector<Vector> OrShape_impl::getHomogeneousPointsInVolume(const size_t N) const {
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433 | ASSERT(0,
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434 | "OrShape_impl::getHomogeneousPointsInVolume() - not implemented.");
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435 | return std::vector<Vector>();
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436 | }
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437 |
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438 | Shape operator||(const Shape &lhs,const Shape &rhs){
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439 | Shape::impl_ptr newImpl = Shape::impl_ptr(new OrShape_impl(getShapeImpl(lhs),getShapeImpl(rhs)));
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440 | return Shape(newImpl);
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441 | }
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442 |
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443 | // NOT
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444 |
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445 | NotShape_impl::NotShape_impl(const Shape::impl_ptr &_arg) :
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446 | arg(_arg)
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447 | {}
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448 |
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449 | NotShape_impl::~NotShape_impl(){}
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450 |
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451 | bool NotShape_impl::isInside(const Vector &point) const{
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452 | return !arg->isInside(point);
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453 | }
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454 |
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455 | bool NotShape_impl::isOnSurface(const Vector &point) const{
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456 | return arg->isOnSurface(point);
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457 | }
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458 |
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459 | Vector NotShape_impl::getNormal(const Vector &point) const throw(NotOnSurfaceException){
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460 | return -1.*arg->getNormal(point);
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461 | }
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462 |
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463 | Vector NotShape_impl::getCenter() const
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464 | {
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465 | return arg->getCenter();
|
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466 | }
|
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467 |
|
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468 | double NotShape_impl::getRadius() const
|
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469 | {
|
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470 | return std::numeric_limits<double>::infinity();
|
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471 | }
|
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472 |
|
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473 | double NotShape_impl::getVolume() const
|
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474 | {
|
---|
475 | // TODO
|
---|
476 | return -1.; //-arg->getVolume();
|
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477 | }
|
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478 |
|
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479 | double NotShape_impl::getSurfaceArea() const
|
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480 | {
|
---|
481 | // TODO
|
---|
482 | return -1.; // -arg->getSurfaceArea();
|
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483 | }
|
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484 |
|
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485 | LineSegmentSet NotShape_impl::getLineIntersections(const Line &line) const{
|
---|
486 | return invert(arg->getLineIntersections(line));
|
---|
487 | }
|
---|
488 |
|
---|
489 | std::string NotShape_impl::toString() const{
|
---|
490 | return std::string("!") + arg->toString();
|
---|
491 | }
|
---|
492 |
|
---|
493 | enum ShapeType NotShape_impl::getType() const{
|
---|
494 | return CombinedType;
|
---|
495 | }
|
---|
496 |
|
---|
497 | std::vector<Vector> NotShape_impl::getHomogeneousPointsOnSurface(const size_t N) const {
|
---|
498 | // surfaces are the same, only normal direction is different
|
---|
499 | return arg->getHomogeneousPointsOnSurface(N);
|
---|
500 | }
|
---|
501 |
|
---|
502 | std::vector<Vector> NotShape_impl::getHomogeneousPointsInVolume(const size_t N) const {
|
---|
503 | ASSERT(0,
|
---|
504 | "NotShape_impl::getHomogeneousPointsInVolume() - not implemented.");
|
---|
505 | return std::vector<Vector>();
|
---|
506 | }
|
---|
507 |
|
---|
508 | Shape operator!(const Shape &arg){
|
---|
509 | Shape::impl_ptr newImpl = Shape::impl_ptr(new NotShape_impl(getShapeImpl(arg)));
|
---|
510 | return Shape(newImpl);
|
---|
511 | }
|
---|
512 |
|
---|
513 | /**************** global operations *********************************/
|
---|
514 | std::ostream &operator<<(std::ostream &ost,const Shape &shape){
|
---|
515 | ost << shape.toString();
|
---|
516 | return ost;
|
---|
517 | }
|
---|