| 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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