| 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 | double Resize_impl::getVolume() const
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| 114 | {
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| 115 | return getArg()->getVolume() * size;
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| 116 | }
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| 117 |
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| 118 | double Resize_impl::getSurfaceArea() const
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| 119 | {
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| 120 | return getArg()->getSurfaceArea() * size;
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| 121 | }
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| 122 |
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| 123 |
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| 124 | bool Resize_impl::isInside(const Vector& point) const{
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| 125 | return getArg()->isInside((1/size) * point);
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| 126 | }
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| 127 |
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| 128 | Vector Resize_impl::translateIn(const Vector& point) const{
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| 129 | return (1/size) * point;
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| 130 | }
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| 131 |
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| 132 | Vector Resize_impl::translateOutPos(const Vector& point) const{
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| 133 | return size * point;
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| 134 | }
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| 135 |
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| 136 | Vector Resize_impl::translateOutNormal(const Vector& point) const{
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| 137 | return point;
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| 138 | }
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| 139 |
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| 140 | std::string Resize_impl::toString() const{
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| 141 | std::stringstream sstr;
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| 142 | sstr << "resize(" << getArg()->toString() << "," << size << ")";
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| 143 | return sstr.str();
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| 144 | }
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| 145 |
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| 146 | std::vector<Vector> Resize_impl::getHomogeneousPointsOnSurface(const size_t N) const {
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| 147 | std::vector<Vector> PointsOnSurface = getArg()->getHomogeneousPointsOnSurface(N);
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| 148 | std::for_each(PointsOnSurface.begin(), PointsOnSurface.end(),
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| 149 | boost::bind(&Vector::operator*, _1, size) );
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| 150 | return PointsOnSurface;
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| 151 | }
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| 152 |
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| 153 | std::vector<Vector> Resize_impl::getHomogeneousPointsInVolume(const size_t N) const {
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| 154 | std::vector<Vector> PointsOnSurface = getArg()->getHomogeneousPointsInVolume(N);
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| 155 | std::for_each(PointsOnSurface.begin(), PointsOnSurface.end(),
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| 156 | boost::bind(&Vector::operator*, _1, size) );
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| 157 | return std::vector<Vector>();
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| 158 | }
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| 159 |
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| 160 |
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| 161 | Shape resize(const Shape &arg,double size){
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| 162 | Shape::impl_ptr impl = Shape::impl_ptr(new Resize_impl(getShapeImpl(arg),size));
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| 163 | return Shape(impl);
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| 164 | }
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| 165 |
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| 166 | /*************************** translate *******************/
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| 167 |
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| 168 | Translate_impl::Translate_impl(const Shape::impl_ptr &_arg, const Vector &_offset) :
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| 169 | ShapeOpsBase_impl(_arg),offset(_offset)
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| 170 | {}
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| 171 |
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| 172 | Translate_impl::~Translate_impl(){}
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| 173 |
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| 174 | bool Translate_impl::isInside(const Vector& point) const{
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| 175 | return getArg()->isInside(point-offset);
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| 176 | }
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| 177 |
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| 178 | Vector Translate_impl::getCenter() const
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| 179 | {
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| 180 | return getArg()->getCenter()+offset;
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| 181 | }
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| 182 |
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| 183 | double Translate_impl::getRadius() const
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| 184 | {
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| 185 | return getArg()->getRadius();
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| 186 | }
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| 187 |
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| 188 | double Translate_impl::getVolume() const
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| 189 | {
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| 190 | return getArg()->getVolume();
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| 191 | }
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| 192 |
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| 193 | double Translate_impl::getSurfaceArea() const
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| 194 | {
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| 195 | return getArg()->getSurfaceArea();
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| 196 | }
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| 197 |
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| 198 | Vector Translate_impl::translateIn(const Vector& point) const{
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| 199 | return point-offset;
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| 200 | }
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| 201 |
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| 202 | Vector Translate_impl::translateOutPos(const Vector& point) const{
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| 203 | return point+offset;
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| 204 | }
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| 205 |
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| 206 | Vector Translate_impl::translateOutNormal(const Vector& point) const{
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| 207 | return point;
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| 208 | }
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| 209 |
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| 210 | std::string Translate_impl::toString() const{
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| 211 | std::stringstream sstr;
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| 212 | sstr << "translate(" << getArg()->toString() << "," << offset << ")";
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| 213 | return sstr.str();
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| 214 | }
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| 215 |
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| 216 | std::vector<Vector> Translate_impl::getHomogeneousPointsOnSurface(const size_t N) const {
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| 217 | std::vector<Vector> PointsOnSurface = getArg()->getHomogeneousPointsOnSurface(N);
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| 218 | std::for_each(PointsOnSurface.begin(), PointsOnSurface.end(),
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| 219 | boost::bind(&Vector::operator+, _1, offset) );
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| 220 | return PointsOnSurface;
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| 221 | }
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| 222 |
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| 223 | std::vector<Vector> Translate_impl::getHomogeneousPointsInVolume(const size_t N) const {
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| 224 | std::vector<Vector> PointsOnSurface = getArg()->getHomogeneousPointsInVolume(N);
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| 225 | std::for_each(PointsOnSurface.begin(), PointsOnSurface.end(),
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| 226 | boost::bind(&Vector::operator+, _1, offset) );
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| 227 | return PointsOnSurface;
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| 228 | }
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| 229 |
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| 230 | Shape translate(const Shape &arg, const Vector &offset){
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| 231 | Shape::impl_ptr impl = Shape::impl_ptr(new Translate_impl(getShapeImpl(arg),offset));
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| 232 | return Shape(impl);
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| 233 | }
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| 234 |
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| 235 | /*********************** stretch ******************/
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| 236 |
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| 237 | Stretch_impl::Stretch_impl(const Shape::impl_ptr &_arg, const Vector &_factors) :
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| 238 | ShapeOpsBase_impl(_arg),factors(_factors)
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| 239 | {
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| 240 | for(int i = NDIM;i--;){
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| 241 | ASSERT(factors[i]>0.,"cannot stretch a shape by a negative amount");
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| 242 | reciFactors[i] = 1./factors[i];
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| 243 | }
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| 244 | }
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| 245 |
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| 246 | Stretch_impl::~Stretch_impl(){}
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| 247 |
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| 248 | double Stretch_impl::getVolume() const
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| 249 | {
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| 250 | // TODO
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| 251 | return -1.;
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| 252 | }
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| 253 |
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| 254 | double Stretch_impl::getSurfaceArea() const
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| 255 | {
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| 256 | // TODO
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| 257 | return -1.;
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| 258 | }
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| 259 |
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| 260 | bool Stretch_impl::isInside(const Vector& point) const{
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| 261 | Vector helper=point;
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| 262 | helper.ScaleAll(reciFactors);
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| 263 | return getArg()->isInside(helper);
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| 264 | }
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| 265 |
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| 266 | Vector Stretch_impl::translateIn(const Vector& point) const{
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| 267 | Vector helper=point;
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| 268 | helper.ScaleAll(reciFactors);
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| 269 | return helper;
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| 270 | }
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| 271 |
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| 272 | Vector Stretch_impl::translateOutPos(const Vector& point) const{
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| 273 | Vector helper=point;
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| 274 | helper.ScaleAll(factors);
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| 275 | return helper;
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| 276 | }
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| 277 |
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| 278 | Vector Stretch_impl::translateOutNormal(const Vector& point) const{
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| 279 | Vector helper=point;
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| 280 | // the normalFactors are derived from appearances of the factors
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| 281 | // with in the vectorproduct
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| 282 | Vector normalFactors;
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| 283 | normalFactors[0]=factors[1]*factors[2];
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| 284 | normalFactors[1]=factors[0]*factors[2];
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| 285 | normalFactors[2]=factors[0]*factors[1];
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| 286 | helper.ScaleAll(normalFactors);
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| 287 | return helper;
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| 288 | }
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| 289 |
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| 290 | std::string Stretch_impl::toString() const{
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| 291 | std::stringstream sstr;
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| 292 | sstr << "stretch(" << getArg()->toString() << "," << factors << ")";
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| 293 | return sstr.str();
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| 294 | }
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| 295 |
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| 296 | std::vector<Vector> Stretch_impl::getHomogeneousPointsOnSurface(const size_t N) const {
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| 297 | std::vector<Vector> PointsOnSurface = getArg()->getHomogeneousPointsOnSurface(N);
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| 298 | std::for_each(PointsOnSurface.begin(), PointsOnSurface.end(),
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| 299 | boost::bind( static_cast<void (Vector::*)(const Vector&)>(&Vector::ScaleAll), _1, reciFactors) );
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| 300 | return PointsOnSurface;
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| 301 | }
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| 302 |
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| 303 | std::vector<Vector> Stretch_impl::getHomogeneousPointsInVolume(const size_t N) const {
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| 304 | std::vector<Vector> PointsOnSurface = getArg()->getHomogeneousPointsInVolume(N);
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| 305 | std::for_each(PointsOnSurface.begin(), PointsOnSurface.end(),
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| 306 | boost::bind( static_cast<void (Vector::*)(const Vector&)>(&Vector::ScaleAll), _1, reciFactors) );
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| 307 | return PointsOnSurface;
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| 308 | }
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| 309 |
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| 310 | Shape stretch(const Shape &arg, const Vector &factors){
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| 311 | Shape::impl_ptr impl = Shape::impl_ptr(new Stretch_impl(getShapeImpl(arg),factors));
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| 312 | return Shape(impl);
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| 313 | }
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| 314 |
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| 315 | /************************* transform *****************/
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| 316 |
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| 317 | Transform_impl::Transform_impl(const Shape::impl_ptr &_arg, const RealSpaceMatrix &_transformation) :
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| 318 | ShapeOpsBase_impl(_arg),transformation(_transformation)
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| 319 | {
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| 320 | transformationInv = transformation.invert();
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| 321 | }
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| 322 |
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| 323 | Transform_impl::~Transform_impl(){}
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| 324 |
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| 325 | double Transform_impl::getVolume() const
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| 326 | {
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| 327 | return getArg()->getVolume();
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| 328 | }
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| 329 |
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| 330 | double Transform_impl::getSurfaceArea() const
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| 331 | {
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| 332 | return getArg()->getSurfaceArea();
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| 333 | }
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| 334 |
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| 335 | bool Transform_impl::isInside(const Vector& point) const{
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| 336 | return getArg()->isInside(transformationInv * point);
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| 337 | }
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| 338 |
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| 339 | Vector Transform_impl::translateIn(const Vector& point) const{
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| 340 | return transformationInv * point;
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| 341 | }
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| 342 |
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| 343 | Vector Transform_impl::translateOutPos(const Vector& point) const{
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| 344 | return transformation * point;
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| 345 | }
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| 346 |
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| 347 | Vector Transform_impl::translateOutNormal(const Vector& point) const
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| 348 | {
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| 349 | RealSpaceMatrix mat = transformation.invert().transpose();
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| 350 | return mat * point;
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| 351 | }
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| 352 |
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| 353 | std::string Transform_impl::toString() const{
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| 354 | std::stringstream sstr;
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| 355 | sstr << "transform(" << getArg()->toString() << "," << transformation << ")";
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| 356 | return sstr.str();
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| 357 | }
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| 358 |
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| 359 | std::vector<Vector> Transform_impl::getHomogeneousPointsOnSurface(const size_t N) const {
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| 360 | std::vector<Vector> PointsOnSurface = getArg()->getHomogeneousPointsOnSurface(N);
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| 361 | std::transform( PointsOnSurface.begin(), PointsOnSurface.end(), PointsOnSurface.begin(),
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| 362 | boost::bind(static_cast<Vector(*)(const RealSpaceMatrix&,const Vector&)>(operator*), transformation, _1));
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| 363 | return PointsOnSurface;
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| 364 | }
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| 365 |
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| 366 | std::vector<Vector> Transform_impl::getHomogeneousPointsInVolume(const size_t N) const {
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| 367 | std::vector<Vector> PointsOnSurface = getArg()->getHomogeneousPointsInVolume(N);
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| 368 | std::transform( PointsOnSurface.begin(), PointsOnSurface.end(), PointsOnSurface.begin(),
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| 369 | boost::bind(static_cast<Vector(*)(const RealSpaceMatrix&,const Vector&)>(operator*), transformation, _1));
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| 370 | return PointsOnSurface;
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| 371 | }
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| 372 |
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| 373 | Shape transform(const Shape &arg, const RealSpaceMatrix &transformation){
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| 374 | Shape::impl_ptr impl = Shape::impl_ptr(new Transform_impl(getShapeImpl(arg),transformation));
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| 375 | return Shape(impl);
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| 376 | }
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