[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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[bbbad5] | 20 | #include "Helpers/MemDebug.hpp"
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| 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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[394529] | 26 | #include "Helpers/Assert.hpp"
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| 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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