| [bcf653] | 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 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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| [e09b70] | 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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| [bf3817] | 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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| [ad011c] | 20 | #include "CodePatterns/MemDebug.hpp" | 
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| [bbbad5] | 21 |  | 
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| [e09b70] | 22 | #include "Shapes/ShapeOps.hpp" | 
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|  | 23 | #include "Shapes/ShapeOps_impl.hpp" | 
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|  | 24 |  | 
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| [6c438f] | 25 | #include "LinearAlgebra/Vector.hpp" | 
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| [ad011c] | 26 | #include "CodePatterns/Assert.hpp" | 
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| [394529] | 27 |  | 
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| [5de9da] | 28 | /*************** Base case ***********************/ | 
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|  | 29 |  | 
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|  | 30 | ShapeOpsBase_impl::ShapeOpsBase_impl(const Shape::impl_ptr &_arg) : | 
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|  | 31 | arg(_arg){} | 
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|  | 32 |  | 
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|  | 33 | ShapeOpsBase_impl::~ShapeOpsBase_impl(){} | 
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|  | 34 |  | 
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|  | 35 | bool ShapeOpsBase_impl::isInside(const Vector &point){ | 
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|  | 36 | return arg->isInside(translateIn(point)); | 
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|  | 37 | } | 
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|  | 38 |  | 
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|  | 39 | bool ShapeOpsBase_impl::isOnSurface(const Vector &point){ | 
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|  | 40 | return arg->isOnSurface(translateIn(point)); | 
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|  | 41 | } | 
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|  | 42 |  | 
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|  | 43 | Vector ShapeOpsBase_impl::getNormal(const Vector &point) throw (NotOnSurfaceException){ | 
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|  | 44 | Vector helper = translateIn(point); | 
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|  | 45 | if(!arg->isOnSurface(helper)){ | 
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|  | 46 | throw NotOnSurfaceException(__FILE__,__LINE__); | 
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|  | 47 | } | 
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| [f12805] | 48 | Vector res = translateOutNormal(arg->getNormal(helper)); | 
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|  | 49 | res.Normalize(); | 
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|  | 50 | return res; | 
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| [5de9da] | 51 | } | 
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|  | 52 |  | 
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| [c6f395] | 53 | LineSegmentSet ShapeOpsBase_impl::getLineIntersections(const Line &line){ | 
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|  | 54 | Line newLine(translateIn(line.getOrigin()),translateIn(line.getDirection())); | 
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|  | 55 | LineSegmentSet res(line); | 
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|  | 56 | LineSegmentSet helper = getArg()->getLineIntersections(newLine); | 
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|  | 57 | for(LineSegmentSet::iterator iter = helper.begin();iter!=helper.end();++iter){ | 
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|  | 58 | LinePoint lpBegin = iter->getBegin(); | 
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|  | 59 | LinePoint lpEnd = iter->getBegin(); | 
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|  | 60 | // translate both linepoints | 
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|  | 61 | lpBegin = lpBegin.isNegInfinity()? | 
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|  | 62 | line.negEndpoint(): | 
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|  | 63 | line.getLinePoint(translateOutPos(lpBegin.getPoint())); | 
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|  | 64 | lpEnd = lpEnd.isPosInfinity()? | 
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|  | 65 | line.posEndpoint(): | 
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|  | 66 | line.getLinePoint(translateOutPos(lpEnd.getPoint())); | 
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|  | 67 | res.insert(LineSegment(lpBegin,lpEnd)); | 
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|  | 68 | } | 
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|  | 69 | return res; | 
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|  | 70 | } | 
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|  | 71 |  | 
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| [6c438f] | 72 | std::vector<Vector> ShapeOpsBase_impl::getHomogeneousPointsOnSurface(const size_t N) const { | 
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|  | 73 | return getArg()->getHomogeneousPointsOnSurface(N);; | 
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|  | 74 | } | 
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|  | 75 |  | 
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|  | 76 | Shape::impl_ptr ShapeOpsBase_impl::getArg() const{ | 
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| [cfda65] | 77 | return arg; | 
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|  | 78 | } | 
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|  | 79 |  | 
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| [5e588b5] | 80 | /********************* Resize ********************/ | 
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|  | 81 |  | 
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| [e09b70] | 82 | Resize_impl::Resize_impl(const Shape::impl_ptr &_arg,double _size) : | 
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| [5de9da] | 83 | ShapeOpsBase_impl(_arg), size(_size) | 
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| [394529] | 84 | { | 
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|  | 85 | ASSERT(size>0,"Cannot resize a Shape to size zero or below"); | 
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|  | 86 | } | 
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| [e09b70] | 87 |  | 
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|  | 88 | Resize_impl::~Resize_impl(){} | 
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|  | 89 |  | 
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|  | 90 | bool Resize_impl::isInside(const Vector& point){ | 
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| [6c438f] | 91 | return getArg()->isInside((1/size) * point); | 
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|  | 92 | } | 
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|  | 93 |  | 
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| [5de9da] | 94 | Vector Resize_impl::translateIn(const Vector& point){ | 
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|  | 95 | return (1/size) * point; | 
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|  | 96 | } | 
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|  | 97 |  | 
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|  | 98 | Vector Resize_impl::translateOutPos(const Vector& point){ | 
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|  | 99 | return size * point; | 
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|  | 100 | } | 
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|  | 101 |  | 
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|  | 102 | Vector Resize_impl::translateOutNormal(const Vector& point){ | 
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|  | 103 | return point; | 
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| [e09b70] | 104 | } | 
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|  | 105 |  | 
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| [cfda65] | 106 | string Resize_impl::toString(){ | 
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|  | 107 | stringstream sstr; | 
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|  | 108 | sstr << "resize(" << getArg()->toString() << "," << size << ")"; | 
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|  | 109 | return sstr.str(); | 
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|  | 110 | } | 
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|  | 111 |  | 
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| [9c1c89] | 112 | std::vector<Vector> Resize_impl::getHomogeneousPointsOnSurface(const size_t N) const { | 
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| [6c438f] | 113 | std::vector<Vector> PointsOnSurface = getArg()->getHomogeneousPointsOnSurface(N); | 
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| [c5186e] | 114 | for(std::vector<Vector>::iterator iter = PointsOnSurface.begin(); iter != PointsOnSurface.end(); ++iter) { | 
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|  | 115 | *iter *= size; | 
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|  | 116 | } | 
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|  | 117 | return PointsOnSurface; | 
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|  | 118 | } | 
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|  | 119 |  | 
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|  | 120 |  | 
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| [e09b70] | 121 | Shape resize(const Shape &arg,double size){ | 
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|  | 122 | Shape::impl_ptr impl = Shape::impl_ptr(new Resize_impl(getShapeImpl(arg),size)); | 
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|  | 123 | return Shape(impl); | 
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|  | 124 | } | 
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|  | 125 |  | 
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| [5e588b5] | 126 | /*************************** translate *******************/ | 
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|  | 127 |  | 
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| [e09b70] | 128 | Translate_impl::Translate_impl(const Shape::impl_ptr &_arg, const Vector &_offset) : | 
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| [5de9da] | 129 | ShapeOpsBase_impl(_arg),offset(_offset) | 
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| [e09b70] | 130 | {} | 
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|  | 131 |  | 
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|  | 132 | Translate_impl::~Translate_impl(){} | 
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|  | 133 |  | 
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|  | 134 | bool Translate_impl::isInside(const Vector& point){ | 
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| [6c438f] | 135 | return getArg()->isInside(point-offset); | 
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|  | 136 | } | 
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|  | 137 |  | 
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| [5de9da] | 138 | Vector Translate_impl::translateIn(const Vector& point){ | 
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|  | 139 | return point-offset; | 
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|  | 140 | } | 
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|  | 141 |  | 
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|  | 142 | Vector Translate_impl::translateOutPos(const Vector& point){ | 
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|  | 143 | return point+offset; | 
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|  | 144 | } | 
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|  | 145 |  | 
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|  | 146 | Vector Translate_impl::translateOutNormal(const Vector& point){ | 
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|  | 147 | return point; | 
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| [e09b70] | 148 | } | 
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|  | 149 |  | 
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| [cfda65] | 150 | string Translate_impl::toString(){ | 
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|  | 151 | stringstream sstr; | 
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|  | 152 | sstr << "translate(" << getArg()->toString() << "," << offset << ")"; | 
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| [79dd0e] | 153 | return sstr.str(); | 
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| [cfda65] | 154 | } | 
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|  | 155 |  | 
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| [9c1c89] | 156 | std::vector<Vector> Translate_impl::getHomogeneousPointsOnSurface(const size_t N) const { | 
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| [6c438f] | 157 | std::vector<Vector> PointsOnSurface = getArg()->getHomogeneousPointsOnSurface(N); | 
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| [c5186e] | 158 | for(std::vector<Vector>::iterator iter = PointsOnSurface.begin(); iter != PointsOnSurface.end(); ++iter) { | 
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|  | 159 | *iter += offset; | 
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|  | 160 | } | 
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|  | 161 | return PointsOnSurface; | 
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|  | 162 | } | 
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|  | 163 |  | 
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| [e09b70] | 164 | Shape translate(const Shape &arg, const Vector &offset){ | 
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|  | 165 | Shape::impl_ptr impl = Shape::impl_ptr(new Translate_impl(getShapeImpl(arg),offset)); | 
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|  | 166 | return Shape(impl); | 
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|  | 167 | } | 
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| [5e588b5] | 168 |  | 
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|  | 169 | /*********************** stretch ******************/ | 
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|  | 170 |  | 
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|  | 171 | Stretch_impl::Stretch_impl(const Shape::impl_ptr &_arg, const Vector &_factors) : | 
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| [5de9da] | 172 | ShapeOpsBase_impl(_arg),factors(_factors) | 
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| [5e588b5] | 173 | { | 
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|  | 174 | ASSERT(factors[0]>0,"cannot stretch a shape by a negative amount"); | 
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|  | 175 | ASSERT(factors[1]>0,"cannot stretch a shape by a negative amount"); | 
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|  | 176 | ASSERT(factors[2]>0,"cannot stretch a shape by a negative amount"); | 
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|  | 177 | for(int i = NDIM;i--;){ | 
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|  | 178 | reciFactors[i] = 1/factors[i]; | 
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|  | 179 | } | 
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|  | 180 | } | 
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|  | 181 |  | 
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|  | 182 | Stretch_impl::~Stretch_impl(){} | 
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|  | 183 |  | 
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|  | 184 | bool Stretch_impl::isInside(const Vector& point){ | 
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|  | 185 | Vector helper=point; | 
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|  | 186 | helper.ScaleAll(reciFactors); | 
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| [6c438f] | 187 | return getArg()->isInside(helper); | 
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|  | 188 | } | 
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|  | 189 |  | 
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| [5de9da] | 190 | Vector Stretch_impl::translateIn(const Vector& point){ | 
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| [5e588b5] | 191 | Vector helper=point; | 
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|  | 192 | helper.ScaleAll(reciFactors); | 
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| [5de9da] | 193 | return helper; | 
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|  | 194 | } | 
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|  | 195 |  | 
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|  | 196 | Vector Stretch_impl::translateOutPos(const Vector& point){ | 
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|  | 197 | Vector helper=point; | 
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|  | 198 | helper.ScaleAll(factors); | 
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|  | 199 | return helper; | 
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|  | 200 | } | 
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|  | 201 |  | 
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|  | 202 | Vector Stretch_impl::translateOutNormal(const Vector& point){ | 
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|  | 203 | Vector helper=point; | 
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|  | 204 | // the normalFactors are derived from appearances of the factors | 
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|  | 205 | // with in the vectorproduct | 
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|  | 206 | Vector normalFactors; | 
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|  | 207 | normalFactors[0]=factors[1]*factors[2]; | 
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|  | 208 | normalFactors[1]=factors[0]*factors[2]; | 
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|  | 209 | normalFactors[2]=factors[0]*factors[1]; | 
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|  | 210 | helper.ScaleAll(normalFactors); | 
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|  | 211 | return helper; | 
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| [5e588b5] | 212 | } | 
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|  | 213 |  | 
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| [cfda65] | 214 | string Stretch_impl::toString(){ | 
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|  | 215 | stringstream sstr; | 
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|  | 216 | sstr << "stretch(" << getArg()->toString() << "," << factors << ")"; | 
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|  | 217 | return sstr.str(); | 
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|  | 218 | } | 
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|  | 219 |  | 
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| [9c1c89] | 220 | std::vector<Vector> Stretch_impl::getHomogeneousPointsOnSurface(const size_t N) const { | 
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| [6c438f] | 221 | std::vector<Vector> PointsOnSurface = getArg()->getHomogeneousPointsOnSurface(N); | 
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| [c5186e] | 222 | for(std::vector<Vector>::iterator iter = PointsOnSurface.begin(); iter != PointsOnSurface.end(); ++iter) { | 
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|  | 223 | (*iter).ScaleAll(reciFactors); | 
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|  | 224 | } | 
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|  | 225 | return PointsOnSurface; | 
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|  | 226 | } | 
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|  | 227 |  | 
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| [5e588b5] | 228 | Shape stretch(const Shape &arg, const Vector &factors){ | 
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|  | 229 | Shape::impl_ptr impl = Shape::impl_ptr(new Stretch_impl(getShapeImpl(arg),factors)); | 
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|  | 230 | return Shape(impl); | 
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|  | 231 | } | 
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|  | 232 |  | 
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|  | 233 | /************************* transform *****************/ | 
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|  | 234 |  | 
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| [cca9ef] | 235 | Transform_impl::Transform_impl(const Shape::impl_ptr &_arg, const RealSpaceMatrix &_transformation) : | 
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| [5de9da] | 236 | ShapeOpsBase_impl(_arg),transformation(_transformation) | 
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| [5e588b5] | 237 | { | 
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|  | 238 | transformationInv = transformation.invert(); | 
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|  | 239 | } | 
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|  | 240 |  | 
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|  | 241 | Transform_impl::~Transform_impl(){} | 
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|  | 242 |  | 
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|  | 243 | bool Transform_impl::isInside(const Vector& point){ | 
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| [6c438f] | 244 | return getArg()->isInside(transformationInv * point); | 
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|  | 245 | } | 
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|  | 246 |  | 
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| [5de9da] | 247 | Vector Transform_impl::translateIn(const Vector& point){ | 
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|  | 248 | return transformationInv * point; | 
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|  | 249 | } | 
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|  | 250 |  | 
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|  | 251 | Vector Transform_impl::translateOutPos(const Vector& point){ | 
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|  | 252 | return transformation * point; | 
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|  | 253 | } | 
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|  | 254 |  | 
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|  | 255 | Vector Transform_impl::translateOutNormal(const Vector& point){ | 
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| [cca9ef] | 256 | RealSpaceMatrix mat = transformation.invert().transpose(); | 
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| [5de9da] | 257 | return mat * point; | 
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| [5e588b5] | 258 | } | 
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|  | 259 |  | 
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| [cfda65] | 260 | string Transform_impl::toString(){ | 
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|  | 261 | stringstream sstr; | 
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|  | 262 | sstr << "transform(" << getArg()->toString() << "," << transformation << ")"; | 
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|  | 263 | return sstr.str(); | 
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|  | 264 | } | 
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|  | 265 |  | 
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| [9c1c89] | 266 | std::vector<Vector> Transform_impl::getHomogeneousPointsOnSurface(const size_t N) const { | 
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| [6c438f] | 267 | std::vector<Vector> PointsOnSurface = getArg()->getHomogeneousPointsOnSurface(N); | 
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| [c5186e] | 268 | for(std::vector<Vector>::iterator iter = PointsOnSurface.begin(); iter != PointsOnSurface.end(); ++iter) { | 
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|  | 269 | *iter = transformation * (*iter); | 
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|  | 270 | } | 
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|  | 271 | return PointsOnSurface; | 
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|  | 272 | } | 
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|  | 273 |  | 
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| [cca9ef] | 274 | Shape transform(const Shape &arg, const RealSpaceMatrix &transformation){ | 
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| [5e588b5] | 275 | Shape::impl_ptr impl = Shape::impl_ptr(new Transform_impl(getShapeImpl(arg),transformation)); | 
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|  | 276 | return Shape(impl); | 
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|  | 277 | } | 
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