1 | /*
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2 | * Project: MoleCuilder
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3 | * Description: creates and alters molecular systems
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4 | * Copyright (C) 2010-2012 University of Bonn. All rights reserved.
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5 | * Please see the LICENSE file or "Copyright notice" in builder.cpp for details.
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6 | */
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7 |
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8 | /*
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9 | * ShapeOps.cpp
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10 | *
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11 | * Created on: Jun 18, 2010
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12 | * Author: crueger
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13 | */
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14 |
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15 | // include config.h
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16 | #ifdef HAVE_CONFIG_H
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17 | #include <config.h>
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18 | #endif
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19 |
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20 | #include "CodePatterns/MemDebug.hpp"
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21 |
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22 | #include <algorithm>
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23 | #include <boost/bind.hpp>
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24 |
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25 | #include "Shapes/ShapeExceptions.hpp"
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26 | #include "Shapes/ShapeOps.hpp"
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27 | #include "Shapes/ShapeOps_impl.hpp"
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28 |
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29 | #include "LinearAlgebra/Vector.hpp"
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30 | #include "CodePatterns/Assert.hpp"
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31 |
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32 | /*************** Base case ***********************/
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33 |
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34 | ShapeOpsBase_impl::ShapeOpsBase_impl(const Shape::impl_ptr &_arg) :
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35 | arg(_arg){}
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36 |
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37 | ShapeOpsBase_impl::~ShapeOpsBase_impl(){}
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38 |
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39 | bool ShapeOpsBase_impl::isInside(const Vector &point) const{
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40 | return arg->isInside(translateIn(point));
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41 | }
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42 |
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43 | bool ShapeOpsBase_impl::isOnSurface(const Vector &point) const{
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44 | return arg->isOnSurface(translateIn(point));
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45 | }
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46 |
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47 | Vector ShapeOpsBase_impl::getNormal(const Vector &point) const throw (NotOnSurfaceException){
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48 | Vector helper = translateIn(point);
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49 | if(!arg->isOnSurface(helper)){
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50 | throw NotOnSurfaceException() << ShapeVector(&helper);
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51 | }
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52 | Vector res = translateOutNormal(arg->getNormal(helper));
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53 | res.Normalize();
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54 | return res;
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55 | }
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56 |
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57 | Vector ShapeOpsBase_impl::getCenter() const
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58 | {
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59 | return arg->getCenter();
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60 | }
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61 |
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62 | double ShapeOpsBase_impl::getRadius() const
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63 | {
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64 | return translateOutPos(Vector(arg->getRadius(), 0., 0.)).Norm();
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65 | }
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66 |
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67 |
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68 | LineSegmentSet ShapeOpsBase_impl::getLineIntersections(const Line &line) const{
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69 | Line newLine(translateIn(line.getOrigin()),translateIn(line.getDirection()));
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70 | LineSegmentSet res(line);
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71 | LineSegmentSet helper = getArg()->getLineIntersections(newLine);
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72 | for(LineSegmentSet::iterator iter = helper.begin();iter!=helper.end();++iter){
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73 | LinePoint lpBegin = iter->getBegin();
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74 | LinePoint lpEnd = iter->getBegin();
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75 | // translate both linepoints
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76 | lpBegin = lpBegin.isNegInfinity()?
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77 | line.negEndpoint():
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78 | line.getLinePoint(translateOutPos(lpBegin.getPoint()));
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79 | lpEnd = lpEnd.isPosInfinity()?
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80 | line.posEndpoint():
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81 | line.getLinePoint(translateOutPos(lpEnd.getPoint()));
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82 | res.insert(LineSegment(lpBegin,lpEnd));
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83 | }
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84 | return res;
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85 | }
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86 |
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87 | enum ShapeType ShapeOpsBase_impl::getType() const {
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88 | return getArg()->getType();
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89 | }
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90 |
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91 | std::vector<Vector> ShapeOpsBase_impl::getHomogeneousPointsOnSurface(const size_t N) const {
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92 | std::vector<Vector> PointsOnSurface = getArg()->getHomogeneousPointsOnSurface(N);
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93 | std::transform(PointsOnSurface.begin(), PointsOnSurface.end(), PointsOnSurface.begin(),
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94 | boost::bind(&ShapeOpsBase_impl::translateOutPos, this, _1) );
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95 | return PointsOnSurface;
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96 | }
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97 |
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98 | std::vector<Vector> ShapeOpsBase_impl::getHomogeneousPointsInVolume(const size_t N) const {
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99 | std::vector<Vector> PointsOnSurface = getArg()->getHomogeneousPointsInVolume(N);
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100 | std::transform(PointsOnSurface.begin(), PointsOnSurface.end(), PointsOnSurface.begin(),
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101 | boost::bind(&ShapeOpsBase_impl::translateOutPos, this, _1) );
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102 | return PointsOnSurface;
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103 | }
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104 |
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105 | Shape::impl_ptr ShapeOpsBase_impl::getArg() const{
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106 | return arg;
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107 | }
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108 |
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109 | /********************* Resize ********************/
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110 |
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111 | Resize_impl::Resize_impl(const Shape::impl_ptr &_arg,double _size) :
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112 | ShapeOpsBase_impl(_arg), size(_size)
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113 | {
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114 | ASSERT(size>0,"Cannot resize a Shape to size zero or below");
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115 | }
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116 |
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117 | Resize_impl::~Resize_impl(){}
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118 |
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119 | double Resize_impl::getVolume() const
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120 | {
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121 | return getArg()->getVolume() * size * size * size;
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122 | }
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123 |
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124 | double Resize_impl::getSurfaceArea() const
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125 | {
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126 | return getArg()->getSurfaceArea() * size * size;
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127 | }
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128 |
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129 |
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130 | bool Resize_impl::isInside(const Vector& point) const{
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131 | return getArg()->isInside((1./size) * point);
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132 | }
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133 |
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134 | Vector Resize_impl::translateIn(const Vector& point) const{
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135 | return (1./size) * point;
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136 | }
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137 |
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138 | Vector Resize_impl::translateOutPos(const Vector& point) const{
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139 | return size * point;
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140 | }
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141 |
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142 | Vector Resize_impl::translateOutNormal(const Vector& point) const{
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143 | return point;
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144 | }
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145 |
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146 | std::string Resize_impl::toString() const{
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147 | std::stringstream sstr;
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148 | sstr << "resize(" << getArg()->toString() << "," << size << ")";
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149 | return sstr.str();
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150 | }
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151 |
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152 | Shape resize(const Shape &arg,double size){
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153 | Shape::impl_ptr impl = Shape::impl_ptr(new Resize_impl(getShapeImpl(arg),size));
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154 | return Shape(impl);
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155 | }
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156 |
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157 | /*************************** translate *******************/
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158 |
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159 | Translate_impl::Translate_impl(const Shape::impl_ptr &_arg, const Vector &_offset) :
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160 | ShapeOpsBase_impl(_arg),offset(_offset)
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161 | {}
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162 |
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163 | Translate_impl::~Translate_impl(){}
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164 |
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165 | bool Translate_impl::isInside(const Vector& point) const{
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166 | return getArg()->isInside(point-offset);
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167 | }
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168 |
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169 | Vector Translate_impl::getCenter() const
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170 | {
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171 | return getArg()->getCenter()+offset;
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172 | }
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173 |
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174 | double Translate_impl::getRadius() const
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175 | {
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176 | return getArg()->getRadius();
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177 | }
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178 |
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179 | double Translate_impl::getVolume() const
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180 | {
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181 | return getArg()->getVolume();
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182 | }
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183 |
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184 | double Translate_impl::getSurfaceArea() const
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185 | {
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186 | return getArg()->getSurfaceArea();
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187 | }
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188 |
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189 | Vector Translate_impl::translateIn(const Vector& point) const{
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190 | return point-offset;
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191 | }
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192 |
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193 | Vector Translate_impl::translateOutPos(const Vector& point) const{
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194 | return point+offset;
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195 | }
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196 |
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197 | Vector Translate_impl::translateOutNormal(const Vector& point) const{
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198 | return point;
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199 | }
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200 |
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201 | std::string Translate_impl::toString() const{
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202 | std::stringstream sstr;
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203 | sstr << "translate(" << getArg()->toString() << "," << offset << ")";
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204 | return sstr.str();
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205 | }
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206 |
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207 | Shape translate(const Shape &arg, const Vector &offset){
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208 | Shape::impl_ptr impl = Shape::impl_ptr(new Translate_impl(getShapeImpl(arg),offset));
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209 | return Shape(impl);
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210 | }
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211 |
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212 | /*********************** stretch ******************/
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213 |
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214 | Stretch_impl::Stretch_impl(const Shape::impl_ptr &_arg, const Vector &_factors) :
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215 | ShapeOpsBase_impl(_arg),factors(_factors)
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216 | {
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217 | for(int i = NDIM;i--;){
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218 | ASSERT(factors[i]>0.,"cannot stretch a shape by a negative amount");
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219 | reciFactors[i] = 1./factors[i];
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220 | }
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221 | }
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222 |
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223 | Stretch_impl::~Stretch_impl(){}
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224 |
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225 | double Stretch_impl::getVolume() const
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226 | {
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227 | // TODO
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228 | return -1.;
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229 | }
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230 |
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231 | double Stretch_impl::getSurfaceArea() const
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232 | {
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233 | // TODO
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234 | return -1.;
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235 | }
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236 |
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237 | bool Stretch_impl::isInside(const Vector& point) const{
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238 | Vector helper=point;
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239 | helper.ScaleAll(reciFactors);
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240 | return getArg()->isInside(helper);
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241 | }
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242 |
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243 | Vector Stretch_impl::translateIn(const Vector& point) const{
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244 | Vector helper=point;
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245 | helper.ScaleAll(reciFactors);
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246 | return helper;
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247 | }
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248 |
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249 | Vector Stretch_impl::translateOutPos(const Vector& point) const{
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250 | Vector helper=point;
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251 | helper.ScaleAll(factors);
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252 | return helper;
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253 | }
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254 |
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255 | Vector Stretch_impl::translateOutNormal(const Vector& point) const{
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256 | Vector helper=point;
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257 | // the normalFactors are derived from appearances of the factors
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258 | // with in the vectorproduct
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259 | Vector normalFactors;
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260 | normalFactors[0]=factors[1]*factors[2];
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261 | normalFactors[1]=factors[0]*factors[2];
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262 | normalFactors[2]=factors[0]*factors[1];
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263 | helper.ScaleAll(normalFactors);
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264 | return helper;
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265 | }
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266 |
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267 | std::string Stretch_impl::toString() const{
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268 | std::stringstream sstr;
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269 | sstr << "stretch(" << getArg()->toString() << "," << factors << ")";
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270 | return sstr.str();
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271 | }
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272 |
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273 | Shape stretch(const Shape &arg, const Vector &factors){
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274 | Shape::impl_ptr impl = Shape::impl_ptr(new Stretch_impl(getShapeImpl(arg),factors));
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275 | return Shape(impl);
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276 | }
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277 |
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278 | /************************* transform *****************/
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279 |
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280 | Transform_impl::Transform_impl(const Shape::impl_ptr &_arg, const RealSpaceMatrix &_transformation) :
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281 | ShapeOpsBase_impl(_arg),transformation(_transformation)
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282 | {
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283 | transformationInv = transformation.invert();
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284 | }
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285 |
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286 | Transform_impl::~Transform_impl(){}
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287 |
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288 | double Transform_impl::getVolume() const
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289 | {
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290 | return getArg()->getVolume();
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291 | }
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292 |
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293 | double Transform_impl::getSurfaceArea() const
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294 | {
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295 | return getArg()->getSurfaceArea();
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296 | }
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297 |
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298 | bool Transform_impl::isInside(const Vector& point) const{
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299 | return getArg()->isInside(transformationInv * point);
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300 | }
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301 |
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302 | Vector Transform_impl::translateIn(const Vector& point) const{
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303 | return transformationInv * point;
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304 | }
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305 |
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306 | Vector Transform_impl::translateOutPos(const Vector& point) const{
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307 | return transformation * point;
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308 | }
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309 |
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310 | Vector Transform_impl::translateOutNormal(const Vector& point) const
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311 | {
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312 | RealSpaceMatrix mat = transformation.invert().transpose();
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313 | return mat * point;
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314 | }
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315 |
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316 | std::string Transform_impl::toString() const{
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317 | std::stringstream sstr;
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318 | sstr << "transform(" << getArg()->toString() << "," << transformation << ")";
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319 | return sstr.str();
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320 | }
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321 |
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322 | Shape transform(const Shape &arg, const RealSpaceMatrix &transformation){
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323 | Shape::impl_ptr impl = Shape::impl_ptr(new Transform_impl(getShapeImpl(arg),transformation));
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324 | return Shape(impl);
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325 | }
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