[bcf653] | 1 | /*
|
---|
| 2 | * Project: MoleCuilder
|
---|
| 3 | * Description: creates and alters molecular systems
|
---|
| 4 | * Copyright (C) 2010 University of Bonn. All rights reserved.
|
---|
| 5 | * Please see the LICENSE file or "Copyright notice" in builder.cpp for details.
|
---|
| 6 | */
|
---|
| 7 |
|
---|
[e09b70] | 8 | /*
|
---|
| 9 | * ShapeOps.cpp
|
---|
| 10 | *
|
---|
| 11 | * Created on: Jun 18, 2010
|
---|
| 12 | * Author: crueger
|
---|
| 13 | */
|
---|
| 14 |
|
---|
[bf3817] | 15 | // include config.h
|
---|
| 16 | #ifdef HAVE_CONFIG_H
|
---|
| 17 | #include <config.h>
|
---|
| 18 | #endif
|
---|
| 19 |
|
---|
[ad011c] | 20 | #include "CodePatterns/MemDebug.hpp"
|
---|
[bbbad5] | 21 |
|
---|
[b94634] | 22 | #include "Shapes/ShapeExceptions.hpp"
|
---|
[e09b70] | 23 | #include "Shapes/ShapeOps.hpp"
|
---|
| 24 | #include "Shapes/ShapeOps_impl.hpp"
|
---|
| 25 |
|
---|
[6c438f] | 26 | #include "LinearAlgebra/Vector.hpp"
|
---|
[ad011c] | 27 | #include "CodePatterns/Assert.hpp"
|
---|
[394529] | 28 |
|
---|
[5de9da] | 29 | /*************** Base case ***********************/
|
---|
| 30 |
|
---|
| 31 | ShapeOpsBase_impl::ShapeOpsBase_impl(const Shape::impl_ptr &_arg) :
|
---|
| 32 | arg(_arg){}
|
---|
| 33 |
|
---|
| 34 | ShapeOpsBase_impl::~ShapeOpsBase_impl(){}
|
---|
| 35 |
|
---|
| 36 | bool ShapeOpsBase_impl::isInside(const Vector &point){
|
---|
| 37 | return arg->isInside(translateIn(point));
|
---|
| 38 | }
|
---|
| 39 |
|
---|
| 40 | bool ShapeOpsBase_impl::isOnSurface(const Vector &point){
|
---|
| 41 | return arg->isOnSurface(translateIn(point));
|
---|
| 42 | }
|
---|
| 43 |
|
---|
| 44 | Vector ShapeOpsBase_impl::getNormal(const Vector &point) throw (NotOnSurfaceException){
|
---|
| 45 | Vector helper = translateIn(point);
|
---|
| 46 | if(!arg->isOnSurface(helper)){
|
---|
[b94634] | 47 | throw NotOnSurfaceException() << ShapeVector(&helper);
|
---|
[5de9da] | 48 | }
|
---|
[f12805] | 49 | Vector res = translateOutNormal(arg->getNormal(helper));
|
---|
| 50 | res.Normalize();
|
---|
| 51 | return res;
|
---|
[5de9da] | 52 | }
|
---|
| 53 |
|
---|
[c6f395] | 54 | LineSegmentSet ShapeOpsBase_impl::getLineIntersections(const Line &line){
|
---|
| 55 | Line newLine(translateIn(line.getOrigin()),translateIn(line.getDirection()));
|
---|
| 56 | LineSegmentSet res(line);
|
---|
| 57 | LineSegmentSet helper = getArg()->getLineIntersections(newLine);
|
---|
| 58 | for(LineSegmentSet::iterator iter = helper.begin();iter!=helper.end();++iter){
|
---|
| 59 | LinePoint lpBegin = iter->getBegin();
|
---|
| 60 | LinePoint lpEnd = iter->getBegin();
|
---|
| 61 | // translate both linepoints
|
---|
| 62 | lpBegin = lpBegin.isNegInfinity()?
|
---|
| 63 | line.negEndpoint():
|
---|
| 64 | line.getLinePoint(translateOutPos(lpBegin.getPoint()));
|
---|
| 65 | lpEnd = lpEnd.isPosInfinity()?
|
---|
| 66 | line.posEndpoint():
|
---|
| 67 | line.getLinePoint(translateOutPos(lpEnd.getPoint()));
|
---|
| 68 | res.insert(LineSegment(lpBegin,lpEnd));
|
---|
| 69 | }
|
---|
| 70 | return res;
|
---|
| 71 | }
|
---|
| 72 |
|
---|
[6c438f] | 73 | std::vector<Vector> ShapeOpsBase_impl::getHomogeneousPointsOnSurface(const size_t N) const {
|
---|
| 74 | return getArg()->getHomogeneousPointsOnSurface(N);;
|
---|
| 75 | }
|
---|
| 76 |
|
---|
| 77 | Shape::impl_ptr ShapeOpsBase_impl::getArg() const{
|
---|
[cfda65] | 78 | return arg;
|
---|
| 79 | }
|
---|
| 80 |
|
---|
[5e588b5] | 81 | /********************* Resize ********************/
|
---|
| 82 |
|
---|
[e09b70] | 83 | Resize_impl::Resize_impl(const Shape::impl_ptr &_arg,double _size) :
|
---|
[5de9da] | 84 | ShapeOpsBase_impl(_arg), size(_size)
|
---|
[394529] | 85 | {
|
---|
| 86 | ASSERT(size>0,"Cannot resize a Shape to size zero or below");
|
---|
| 87 | }
|
---|
[e09b70] | 88 |
|
---|
| 89 | Resize_impl::~Resize_impl(){}
|
---|
| 90 |
|
---|
| 91 | bool Resize_impl::isInside(const Vector& point){
|
---|
[6c438f] | 92 | return getArg()->isInside((1/size) * point);
|
---|
| 93 | }
|
---|
| 94 |
|
---|
[5de9da] | 95 | Vector Resize_impl::translateIn(const Vector& point){
|
---|
| 96 | return (1/size) * point;
|
---|
| 97 | }
|
---|
| 98 |
|
---|
| 99 | Vector Resize_impl::translateOutPos(const Vector& point){
|
---|
| 100 | return size * point;
|
---|
| 101 | }
|
---|
| 102 |
|
---|
| 103 | Vector Resize_impl::translateOutNormal(const Vector& point){
|
---|
| 104 | return point;
|
---|
[e09b70] | 105 | }
|
---|
| 106 |
|
---|
[cfda65] | 107 | string Resize_impl::toString(){
|
---|
| 108 | stringstream sstr;
|
---|
| 109 | sstr << "resize(" << getArg()->toString() << "," << size << ")";
|
---|
| 110 | return sstr.str();
|
---|
| 111 | }
|
---|
| 112 |
|
---|
[9c1c89] | 113 | std::vector<Vector> Resize_impl::getHomogeneousPointsOnSurface(const size_t N) const {
|
---|
[6c438f] | 114 | std::vector<Vector> PointsOnSurface = getArg()->getHomogeneousPointsOnSurface(N);
|
---|
[c5186e] | 115 | for(std::vector<Vector>::iterator iter = PointsOnSurface.begin(); iter != PointsOnSurface.end(); ++iter) {
|
---|
| 116 | *iter *= size;
|
---|
| 117 | }
|
---|
| 118 | return PointsOnSurface;
|
---|
| 119 | }
|
---|
| 120 |
|
---|
| 121 |
|
---|
[e09b70] | 122 | Shape resize(const Shape &arg,double size){
|
---|
| 123 | Shape::impl_ptr impl = Shape::impl_ptr(new Resize_impl(getShapeImpl(arg),size));
|
---|
| 124 | return Shape(impl);
|
---|
| 125 | }
|
---|
| 126 |
|
---|
[5e588b5] | 127 | /*************************** translate *******************/
|
---|
| 128 |
|
---|
[e09b70] | 129 | Translate_impl::Translate_impl(const Shape::impl_ptr &_arg, const Vector &_offset) :
|
---|
[5de9da] | 130 | ShapeOpsBase_impl(_arg),offset(_offset)
|
---|
[e09b70] | 131 | {}
|
---|
| 132 |
|
---|
| 133 | Translate_impl::~Translate_impl(){}
|
---|
| 134 |
|
---|
| 135 | bool Translate_impl::isInside(const Vector& point){
|
---|
[6c438f] | 136 | return getArg()->isInside(point-offset);
|
---|
| 137 | }
|
---|
| 138 |
|
---|
[5de9da] | 139 | Vector Translate_impl::translateIn(const Vector& point){
|
---|
| 140 | return point-offset;
|
---|
| 141 | }
|
---|
| 142 |
|
---|
| 143 | Vector Translate_impl::translateOutPos(const Vector& point){
|
---|
| 144 | return point+offset;
|
---|
| 145 | }
|
---|
| 146 |
|
---|
| 147 | Vector Translate_impl::translateOutNormal(const Vector& point){
|
---|
| 148 | return point;
|
---|
[e09b70] | 149 | }
|
---|
| 150 |
|
---|
[cfda65] | 151 | string Translate_impl::toString(){
|
---|
| 152 | stringstream sstr;
|
---|
| 153 | sstr << "translate(" << getArg()->toString() << "," << offset << ")";
|
---|
[79dd0e] | 154 | return sstr.str();
|
---|
[cfda65] | 155 | }
|
---|
| 156 |
|
---|
[9c1c89] | 157 | std::vector<Vector> Translate_impl::getHomogeneousPointsOnSurface(const size_t N) const {
|
---|
[6c438f] | 158 | std::vector<Vector> PointsOnSurface = getArg()->getHomogeneousPointsOnSurface(N);
|
---|
[c5186e] | 159 | for(std::vector<Vector>::iterator iter = PointsOnSurface.begin(); iter != PointsOnSurface.end(); ++iter) {
|
---|
| 160 | *iter += offset;
|
---|
| 161 | }
|
---|
| 162 | return PointsOnSurface;
|
---|
| 163 | }
|
---|
| 164 |
|
---|
[e09b70] | 165 | Shape translate(const Shape &arg, const Vector &offset){
|
---|
| 166 | Shape::impl_ptr impl = Shape::impl_ptr(new Translate_impl(getShapeImpl(arg),offset));
|
---|
| 167 | return Shape(impl);
|
---|
| 168 | }
|
---|
[5e588b5] | 169 |
|
---|
| 170 | /*********************** stretch ******************/
|
---|
| 171 |
|
---|
| 172 | Stretch_impl::Stretch_impl(const Shape::impl_ptr &_arg, const Vector &_factors) :
|
---|
[5de9da] | 173 | ShapeOpsBase_impl(_arg),factors(_factors)
|
---|
[5e588b5] | 174 | {
|
---|
| 175 | ASSERT(factors[0]>0,"cannot stretch a shape by a negative amount");
|
---|
| 176 | ASSERT(factors[1]>0,"cannot stretch a shape by a negative amount");
|
---|
| 177 | ASSERT(factors[2]>0,"cannot stretch a shape by a negative amount");
|
---|
| 178 | for(int i = NDIM;i--;){
|
---|
| 179 | reciFactors[i] = 1/factors[i];
|
---|
| 180 | }
|
---|
| 181 | }
|
---|
| 182 |
|
---|
| 183 | Stretch_impl::~Stretch_impl(){}
|
---|
| 184 |
|
---|
| 185 | bool Stretch_impl::isInside(const Vector& point){
|
---|
| 186 | Vector helper=point;
|
---|
| 187 | helper.ScaleAll(reciFactors);
|
---|
[6c438f] | 188 | return getArg()->isInside(helper);
|
---|
| 189 | }
|
---|
| 190 |
|
---|
[5de9da] | 191 | Vector Stretch_impl::translateIn(const Vector& point){
|
---|
[5e588b5] | 192 | Vector helper=point;
|
---|
| 193 | helper.ScaleAll(reciFactors);
|
---|
[5de9da] | 194 | return helper;
|
---|
| 195 | }
|
---|
| 196 |
|
---|
| 197 | Vector Stretch_impl::translateOutPos(const Vector& point){
|
---|
| 198 | Vector helper=point;
|
---|
| 199 | helper.ScaleAll(factors);
|
---|
| 200 | return helper;
|
---|
| 201 | }
|
---|
| 202 |
|
---|
| 203 | Vector Stretch_impl::translateOutNormal(const Vector& point){
|
---|
| 204 | Vector helper=point;
|
---|
| 205 | // the normalFactors are derived from appearances of the factors
|
---|
| 206 | // with in the vectorproduct
|
---|
| 207 | Vector normalFactors;
|
---|
| 208 | normalFactors[0]=factors[1]*factors[2];
|
---|
| 209 | normalFactors[1]=factors[0]*factors[2];
|
---|
| 210 | normalFactors[2]=factors[0]*factors[1];
|
---|
| 211 | helper.ScaleAll(normalFactors);
|
---|
| 212 | return helper;
|
---|
[5e588b5] | 213 | }
|
---|
| 214 |
|
---|
[cfda65] | 215 | string Stretch_impl::toString(){
|
---|
| 216 | stringstream sstr;
|
---|
| 217 | sstr << "stretch(" << getArg()->toString() << "," << factors << ")";
|
---|
| 218 | return sstr.str();
|
---|
| 219 | }
|
---|
| 220 |
|
---|
[9c1c89] | 221 | std::vector<Vector> Stretch_impl::getHomogeneousPointsOnSurface(const size_t N) const {
|
---|
[6c438f] | 222 | std::vector<Vector> PointsOnSurface = getArg()->getHomogeneousPointsOnSurface(N);
|
---|
[c5186e] | 223 | for(std::vector<Vector>::iterator iter = PointsOnSurface.begin(); iter != PointsOnSurface.end(); ++iter) {
|
---|
| 224 | (*iter).ScaleAll(reciFactors);
|
---|
| 225 | }
|
---|
| 226 | return PointsOnSurface;
|
---|
| 227 | }
|
---|
| 228 |
|
---|
[5e588b5] | 229 | Shape stretch(const Shape &arg, const Vector &factors){
|
---|
| 230 | Shape::impl_ptr impl = Shape::impl_ptr(new Stretch_impl(getShapeImpl(arg),factors));
|
---|
| 231 | return Shape(impl);
|
---|
| 232 | }
|
---|
| 233 |
|
---|
| 234 | /************************* transform *****************/
|
---|
| 235 |
|
---|
[cca9ef] | 236 | Transform_impl::Transform_impl(const Shape::impl_ptr &_arg, const RealSpaceMatrix &_transformation) :
|
---|
[5de9da] | 237 | ShapeOpsBase_impl(_arg),transformation(_transformation)
|
---|
[5e588b5] | 238 | {
|
---|
| 239 | transformationInv = transformation.invert();
|
---|
| 240 | }
|
---|
| 241 |
|
---|
| 242 | Transform_impl::~Transform_impl(){}
|
---|
| 243 |
|
---|
| 244 | bool Transform_impl::isInside(const Vector& point){
|
---|
[6c438f] | 245 | return getArg()->isInside(transformationInv * point);
|
---|
| 246 | }
|
---|
| 247 |
|
---|
[5de9da] | 248 | Vector Transform_impl::translateIn(const Vector& point){
|
---|
| 249 | return transformationInv * point;
|
---|
| 250 | }
|
---|
| 251 |
|
---|
| 252 | Vector Transform_impl::translateOutPos(const Vector& point){
|
---|
| 253 | return transformation * point;
|
---|
| 254 | }
|
---|
| 255 |
|
---|
| 256 | Vector Transform_impl::translateOutNormal(const Vector& point){
|
---|
[cca9ef] | 257 | RealSpaceMatrix mat = transformation.invert().transpose();
|
---|
[5de9da] | 258 | return mat * point;
|
---|
[5e588b5] | 259 | }
|
---|
| 260 |
|
---|
[cfda65] | 261 | string Transform_impl::toString(){
|
---|
| 262 | stringstream sstr;
|
---|
| 263 | sstr << "transform(" << getArg()->toString() << "," << transformation << ")";
|
---|
| 264 | return sstr.str();
|
---|
| 265 | }
|
---|
| 266 |
|
---|
[9c1c89] | 267 | std::vector<Vector> Transform_impl::getHomogeneousPointsOnSurface(const size_t N) const {
|
---|
[6c438f] | 268 | std::vector<Vector> PointsOnSurface = getArg()->getHomogeneousPointsOnSurface(N);
|
---|
[c5186e] | 269 | for(std::vector<Vector>::iterator iter = PointsOnSurface.begin(); iter != PointsOnSurface.end(); ++iter) {
|
---|
| 270 | *iter = transformation * (*iter);
|
---|
| 271 | }
|
---|
| 272 | return PointsOnSurface;
|
---|
| 273 | }
|
---|
| 274 |
|
---|
[cca9ef] | 275 | Shape transform(const Shape &arg, const RealSpaceMatrix &transformation){
|
---|
[5e588b5] | 276 | Shape::impl_ptr impl = Shape::impl_ptr(new Transform_impl(getShapeImpl(arg),transformation));
|
---|
| 277 | return Shape(impl);
|
---|
| 278 | }
|
---|