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 | return getArg()->getHomogeneousPointsOnSurface(N);
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93 | }
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94 |
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95 | std::vector<Vector> ShapeOpsBase_impl::getHomogeneousPointsInVolume(const size_t N) const {
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96 | return getArg()->getHomogeneousPointsInVolume(N);
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97 | }
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98 |
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99 | Shape::impl_ptr ShapeOpsBase_impl::getArg() const{
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100 | return arg;
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101 | }
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102 |
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103 | /********************* Resize ********************/
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104 |
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105 | Resize_impl::Resize_impl(const Shape::impl_ptr &_arg,double _size) :
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106 | ShapeOpsBase_impl(_arg), size(_size)
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107 | {
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108 | ASSERT(size>0,"Cannot resize a Shape to size zero or below");
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109 | }
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110 |
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111 | Resize_impl::~Resize_impl(){}
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112 |
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113 | bool Resize_impl::isInside(const Vector& point) const{
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114 | return getArg()->isInside((1/size) * point);
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115 | }
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116 |
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117 | Vector Resize_impl::translateIn(const Vector& point) const{
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118 | return (1/size) * point;
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119 | }
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120 |
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121 | Vector Resize_impl::translateOutPos(const Vector& point) const{
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122 | return size * point;
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123 | }
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124 |
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125 | Vector Resize_impl::translateOutNormal(const Vector& point) const{
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126 | return point;
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127 | }
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128 |
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129 | std::string Resize_impl::toString() const{
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130 | std::stringstream sstr;
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131 | sstr << "resize(" << getArg()->toString() << "," << size << ")";
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132 | return sstr.str();
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133 | }
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134 |
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135 | std::vector<Vector> Resize_impl::getHomogeneousPointsOnSurface(const size_t N) const {
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136 | std::vector<Vector> PointsOnSurface = getArg()->getHomogeneousPointsOnSurface(N);
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137 | std::for_each(PointsOnSurface.begin(), PointsOnSurface.end(),
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138 | boost::bind(&Vector::operator*, _1, size) );
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139 | return PointsOnSurface;
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140 | }
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141 |
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142 | std::vector<Vector> Resize_impl::getHomogeneousPointsInVolume(const size_t N) const {
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143 | std::vector<Vector> PointsOnSurface = getArg()->getHomogeneousPointsInVolume(N);
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144 | std::for_each(PointsOnSurface.begin(), PointsOnSurface.end(),
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145 | boost::bind(&Vector::operator*, _1, size) );
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146 | return std::vector<Vector>();
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147 | }
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148 |
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149 |
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150 | Shape resize(const Shape &arg,double size){
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151 | Shape::impl_ptr impl = Shape::impl_ptr(new Resize_impl(getShapeImpl(arg),size));
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152 | return Shape(impl);
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153 | }
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154 |
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155 | /*************************** translate *******************/
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156 |
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157 | Translate_impl::Translate_impl(const Shape::impl_ptr &_arg, const Vector &_offset) :
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158 | ShapeOpsBase_impl(_arg),offset(_offset)
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159 | {}
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160 |
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161 | Translate_impl::~Translate_impl(){}
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162 |
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163 | bool Translate_impl::isInside(const Vector& point) const{
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164 | return getArg()->isInside(point-offset);
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165 | }
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166 |
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167 | Vector Translate_impl::getCenter() const
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168 | {
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169 | return getArg()->getCenter()+offset;
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170 | }
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171 |
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172 | double Translate_impl::getRadius() const
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173 | {
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174 | return getArg()->getRadius();
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175 | }
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176 |
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177 |
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178 | Vector Translate_impl::translateIn(const Vector& point) const{
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179 | return point-offset;
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180 | }
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181 |
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182 | Vector Translate_impl::translateOutPos(const Vector& point) const{
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183 | return point+offset;
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184 | }
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185 |
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186 | Vector Translate_impl::translateOutNormal(const Vector& point) const{
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187 | return point;
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188 | }
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189 |
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190 | std::string Translate_impl::toString() const{
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191 | std::stringstream sstr;
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192 | sstr << "translate(" << getArg()->toString() << "," << offset << ")";
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193 | return sstr.str();
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194 | }
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195 |
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196 | std::vector<Vector> Translate_impl::getHomogeneousPointsOnSurface(const size_t N) const {
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197 | std::vector<Vector> PointsOnSurface = getArg()->getHomogeneousPointsOnSurface(N);
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198 | std::for_each(PointsOnSurface.begin(), PointsOnSurface.end(),
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199 | boost::bind(&Vector::operator+, _1, offset) );
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200 | return PointsOnSurface;
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201 | }
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202 |
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203 | std::vector<Vector> Translate_impl::getHomogeneousPointsInVolume(const size_t N) const {
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204 | std::vector<Vector> PointsOnSurface = getArg()->getHomogeneousPointsInVolume(N);
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205 | std::for_each(PointsOnSurface.begin(), PointsOnSurface.end(),
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206 | boost::bind(&Vector::operator+, _1, offset) );
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207 | return PointsOnSurface;
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208 | }
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209 |
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210 | Shape translate(const Shape &arg, const Vector &offset){
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211 | Shape::impl_ptr impl = Shape::impl_ptr(new Translate_impl(getShapeImpl(arg),offset));
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212 | return Shape(impl);
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213 | }
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214 |
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215 | /*********************** stretch ******************/
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216 |
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217 | Stretch_impl::Stretch_impl(const Shape::impl_ptr &_arg, const Vector &_factors) :
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218 | ShapeOpsBase_impl(_arg),factors(_factors)
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219 | {
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220 | for(int i = NDIM;i--;){
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221 | ASSERT(factors[i]>0.,"cannot stretch a shape by a negative amount");
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222 | reciFactors[i] = 1./factors[i];
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223 | }
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224 | }
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225 |
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226 | Stretch_impl::~Stretch_impl(){}
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227 |
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228 | bool Stretch_impl::isInside(const Vector& point) const{
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229 | Vector helper=point;
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230 | helper.ScaleAll(reciFactors);
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231 | return getArg()->isInside(helper);
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232 | }
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233 |
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234 | Vector Stretch_impl::translateIn(const Vector& point) const{
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235 | Vector helper=point;
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236 | helper.ScaleAll(reciFactors);
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237 | return helper;
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238 | }
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239 |
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240 | Vector Stretch_impl::translateOutPos(const Vector& point) const{
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241 | Vector helper=point;
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242 | helper.ScaleAll(factors);
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243 | return helper;
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244 | }
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245 |
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246 | Vector Stretch_impl::translateOutNormal(const Vector& point) const{
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247 | Vector helper=point;
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248 | // the normalFactors are derived from appearances of the factors
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249 | // with in the vectorproduct
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250 | Vector normalFactors;
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251 | normalFactors[0]=factors[1]*factors[2];
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252 | normalFactors[1]=factors[0]*factors[2];
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253 | normalFactors[2]=factors[0]*factors[1];
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254 | helper.ScaleAll(normalFactors);
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255 | return helper;
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256 | }
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257 |
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258 | std::string Stretch_impl::toString() const{
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259 | std::stringstream sstr;
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260 | sstr << "stretch(" << getArg()->toString() << "," << factors << ")";
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261 | return sstr.str();
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262 | }
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263 |
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264 | std::vector<Vector> Stretch_impl::getHomogeneousPointsOnSurface(const size_t N) const {
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265 | std::vector<Vector> PointsOnSurface = getArg()->getHomogeneousPointsOnSurface(N);
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266 | std::for_each(PointsOnSurface.begin(), PointsOnSurface.end(),
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267 | boost::bind( static_cast<void (Vector::*)(const Vector&)>(&Vector::ScaleAll), _1, reciFactors) );
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268 | return PointsOnSurface;
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269 | }
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270 |
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271 | std::vector<Vector> Stretch_impl::getHomogeneousPointsInVolume(const size_t N) const {
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272 | std::vector<Vector> PointsOnSurface = getArg()->getHomogeneousPointsInVolume(N);
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273 | std::for_each(PointsOnSurface.begin(), PointsOnSurface.end(),
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274 | boost::bind( static_cast<void (Vector::*)(const Vector&)>(&Vector::ScaleAll), _1, reciFactors) );
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275 | return PointsOnSurface;
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276 | }
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277 |
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278 | Shape stretch(const Shape &arg, const Vector &factors){
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279 | Shape::impl_ptr impl = Shape::impl_ptr(new Stretch_impl(getShapeImpl(arg),factors));
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280 | return Shape(impl);
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281 | }
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282 |
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283 | /************************* transform *****************/
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284 |
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285 | Transform_impl::Transform_impl(const Shape::impl_ptr &_arg, const RealSpaceMatrix &_transformation) :
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286 | ShapeOpsBase_impl(_arg),transformation(_transformation)
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287 | {
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288 | transformationInv = transformation.invert();
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289 | }
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290 |
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291 | Transform_impl::~Transform_impl(){}
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292 |
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293 | bool Transform_impl::isInside(const Vector& point) const{
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294 | return getArg()->isInside(transformationInv * point);
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295 | }
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296 |
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297 | Vector Transform_impl::translateIn(const Vector& point) const{
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298 | return transformationInv * point;
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299 | }
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300 |
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301 | Vector Transform_impl::translateOutPos(const Vector& point) const{
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302 | return transformation * point;
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303 | }
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304 |
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305 | Vector Transform_impl::translateOutNormal(const Vector& point) const
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306 | {
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307 | RealSpaceMatrix mat = transformation.invert().transpose();
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308 | return mat * point;
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309 | }
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310 |
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311 | std::string Transform_impl::toString() const{
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312 | std::stringstream sstr;
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313 | sstr << "transform(" << getArg()->toString() << "," << transformation << ")";
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314 | return sstr.str();
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315 | }
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316 |
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317 | std::vector<Vector> Transform_impl::getHomogeneousPointsOnSurface(const size_t N) const {
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318 | std::vector<Vector> PointsOnSurface = getArg()->getHomogeneousPointsOnSurface(N);
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319 | std::transform( PointsOnSurface.begin(), PointsOnSurface.end(), PointsOnSurface.begin(),
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320 | boost::bind(static_cast<Vector(*)(const RealSpaceMatrix&,const Vector&)>(operator*), transformation, _1));
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321 | return PointsOnSurface;
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322 | }
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323 |
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324 | std::vector<Vector> Transform_impl::getHomogeneousPointsInVolume(const size_t N) const {
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325 | std::vector<Vector> PointsOnSurface = getArg()->getHomogeneousPointsInVolume(N);
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326 | std::transform( PointsOnSurface.begin(), PointsOnSurface.end(), PointsOnSurface.begin(),
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327 | boost::bind(static_cast<Vector(*)(const RealSpaceMatrix&,const Vector&)>(operator*), transformation, _1));
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328 | return PointsOnSurface;
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329 | }
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330 |
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331 | Shape transform(const Shape &arg, const RealSpaceMatrix &transformation){
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332 | Shape::impl_ptr impl = Shape::impl_ptr(new Transform_impl(getShapeImpl(arg),transformation));
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333 | return Shape(impl);
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334 | }
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