source: src/Shapes/ShapeOps.cpp@ a275b3

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Last change on this file since a275b3 was c67c65, checked in by Frederik Heber <heber@…>, 13 years ago

Added preliminary getVolume() and getSurfaceArea() implementation to all Shapes.

  • only BaseShapes are truely usable, the rest is mostly marked as TODO.
  • the problem is that intersections are not so easy to handle. Probably, we have to use polygonal intersections there and approximate volume calculations.
  • the functions return -1 when not implemented yet. this is preparatory to start approximate calculations at the top node of the Shape "graph" if -1. is returned from the implementation.
  • Property mode set to 100644
File size: 10.7 KB
Line 
1/*
2 * Project: MoleCuilder
3 * Description: creates and alters molecular systems
4 * Copyright (C) 2010-2012 University of Bonn. All rights reserved.
5 * Please see the LICENSE file or "Copyright notice" in builder.cpp for details.
6 */
7
8/*
9 * ShapeOps.cpp
10 *
11 * Created on: Jun 18, 2010
12 * Author: crueger
13 */
14
15// include config.h
16#ifdef HAVE_CONFIG_H
17#include <config.h>
18#endif
19
20#include "CodePatterns/MemDebug.hpp"
21
22#include <algorithm>
23#include <boost/bind.hpp>
24
25#include "Shapes/ShapeExceptions.hpp"
26#include "Shapes/ShapeOps.hpp"
27#include "Shapes/ShapeOps_impl.hpp"
28
29#include "LinearAlgebra/Vector.hpp"
30#include "CodePatterns/Assert.hpp"
31
32/*************** Base case ***********************/
33
34ShapeOpsBase_impl::ShapeOpsBase_impl(const Shape::impl_ptr &_arg) :
35 arg(_arg){}
36
37ShapeOpsBase_impl::~ShapeOpsBase_impl(){}
38
39bool ShapeOpsBase_impl::isInside(const Vector &point) const{
40 return arg->isInside(translateIn(point));
41}
42
43bool ShapeOpsBase_impl::isOnSurface(const Vector &point) const{
44 return arg->isOnSurface(translateIn(point));
45}
46
47Vector ShapeOpsBase_impl::getNormal(const Vector &point) const throw (NotOnSurfaceException){
48 Vector helper = translateIn(point);
49 if(!arg->isOnSurface(helper)){
50 throw NotOnSurfaceException() << ShapeVector(&helper);
51 }
52 Vector res = translateOutNormal(arg->getNormal(helper));
53 res.Normalize();
54 return res;
55}
56
57Vector ShapeOpsBase_impl::getCenter() const
58{
59 return arg->getCenter();
60}
61
62double ShapeOpsBase_impl::getRadius() const
63{
64 return translateOutPos(Vector(arg->getRadius(), 0., 0.)).Norm();
65}
66
67
68LineSegmentSet ShapeOpsBase_impl::getLineIntersections(const Line &line) const{
69 Line newLine(translateIn(line.getOrigin()),translateIn(line.getDirection()));
70 LineSegmentSet res(line);
71 LineSegmentSet helper = getArg()->getLineIntersections(newLine);
72 for(LineSegmentSet::iterator iter = helper.begin();iter!=helper.end();++iter){
73 LinePoint lpBegin = iter->getBegin();
74 LinePoint lpEnd = iter->getBegin();
75 // translate both linepoints
76 lpBegin = lpBegin.isNegInfinity()?
77 line.negEndpoint():
78 line.getLinePoint(translateOutPos(lpBegin.getPoint()));
79 lpEnd = lpEnd.isPosInfinity()?
80 line.posEndpoint():
81 line.getLinePoint(translateOutPos(lpEnd.getPoint()));
82 res.insert(LineSegment(lpBegin,lpEnd));
83 }
84 return res;
85}
86
87enum ShapeType ShapeOpsBase_impl::getType() const {
88 return getArg()->getType();
89}
90
91std::vector<Vector> ShapeOpsBase_impl::getHomogeneousPointsOnSurface(const size_t N) const {
92 return getArg()->getHomogeneousPointsOnSurface(N);
93}
94
95std::vector<Vector> ShapeOpsBase_impl::getHomogeneousPointsInVolume(const size_t N) const {
96 return getArg()->getHomogeneousPointsInVolume(N);
97}
98
99Shape::impl_ptr ShapeOpsBase_impl::getArg() const{
100 return arg;
101}
102
103/********************* Resize ********************/
104
105Resize_impl::Resize_impl(const Shape::impl_ptr &_arg,double _size) :
106 ShapeOpsBase_impl(_arg), size(_size)
107{
108 ASSERT(size>0,"Cannot resize a Shape to size zero or below");
109}
110
111Resize_impl::~Resize_impl(){}
112
113double Resize_impl::getVolume() const
114{
115 return getArg()->getVolume() * size;
116}
117
118double Resize_impl::getSurfaceArea() const
119{
120 return getArg()->getSurfaceArea() * size;
121}
122
123
124bool Resize_impl::isInside(const Vector& point) const{
125 return getArg()->isInside((1/size) * point);
126}
127
128Vector Resize_impl::translateIn(const Vector& point) const{
129 return (1/size) * point;
130}
131
132Vector Resize_impl::translateOutPos(const Vector& point) const{
133 return size * point;
134}
135
136Vector Resize_impl::translateOutNormal(const Vector& point) const{
137 return point;
138}
139
140std::string Resize_impl::toString() const{
141 std::stringstream sstr;
142 sstr << "resize(" << getArg()->toString() << "," << size << ")";
143 return sstr.str();
144}
145
146std::vector<Vector> Resize_impl::getHomogeneousPointsOnSurface(const size_t N) const {
147 std::vector<Vector> PointsOnSurface = getArg()->getHomogeneousPointsOnSurface(N);
148 std::for_each(PointsOnSurface.begin(), PointsOnSurface.end(),
149 boost::bind(&Vector::operator*, _1, size) );
150 return PointsOnSurface;
151}
152
153std::vector<Vector> Resize_impl::getHomogeneousPointsInVolume(const size_t N) const {
154 std::vector<Vector> PointsOnSurface = getArg()->getHomogeneousPointsInVolume(N);
155 std::for_each(PointsOnSurface.begin(), PointsOnSurface.end(),
156 boost::bind(&Vector::operator*, _1, size) );
157 return std::vector<Vector>();
158}
159
160
161Shape resize(const Shape &arg,double size){
162 Shape::impl_ptr impl = Shape::impl_ptr(new Resize_impl(getShapeImpl(arg),size));
163 return Shape(impl);
164}
165
166/*************************** translate *******************/
167
168Translate_impl::Translate_impl(const Shape::impl_ptr &_arg, const Vector &_offset) :
169 ShapeOpsBase_impl(_arg),offset(_offset)
170{}
171
172Translate_impl::~Translate_impl(){}
173
174bool Translate_impl::isInside(const Vector& point) const{
175 return getArg()->isInside(point-offset);
176}
177
178Vector Translate_impl::getCenter() const
179{
180 return getArg()->getCenter()+offset;
181}
182
183double Translate_impl::getRadius() const
184{
185 return getArg()->getRadius();
186}
187
188double Translate_impl::getVolume() const
189{
190 return getArg()->getVolume();
191}
192
193double Translate_impl::getSurfaceArea() const
194{
195 return getArg()->getSurfaceArea();
196}
197
198Vector Translate_impl::translateIn(const Vector& point) const{
199 return point-offset;
200}
201
202Vector Translate_impl::translateOutPos(const Vector& point) const{
203 return point+offset;
204}
205
206Vector Translate_impl::translateOutNormal(const Vector& point) const{
207 return point;
208}
209
210std::string Translate_impl::toString() const{
211 std::stringstream sstr;
212 sstr << "translate(" << getArg()->toString() << "," << offset << ")";
213 return sstr.str();
214}
215
216std::vector<Vector> Translate_impl::getHomogeneousPointsOnSurface(const size_t N) const {
217 std::vector<Vector> PointsOnSurface = getArg()->getHomogeneousPointsOnSurface(N);
218 std::for_each(PointsOnSurface.begin(), PointsOnSurface.end(),
219 boost::bind(&Vector::operator+, _1, offset) );
220 return PointsOnSurface;
221}
222
223std::vector<Vector> Translate_impl::getHomogeneousPointsInVolume(const size_t N) const {
224 std::vector<Vector> PointsOnSurface = getArg()->getHomogeneousPointsInVolume(N);
225 std::for_each(PointsOnSurface.begin(), PointsOnSurface.end(),
226 boost::bind(&Vector::operator+, _1, offset) );
227 return PointsOnSurface;
228}
229
230Shape translate(const Shape &arg, const Vector &offset){
231 Shape::impl_ptr impl = Shape::impl_ptr(new Translate_impl(getShapeImpl(arg),offset));
232 return Shape(impl);
233}
234
235/*********************** stretch ******************/
236
237Stretch_impl::Stretch_impl(const Shape::impl_ptr &_arg, const Vector &_factors) :
238 ShapeOpsBase_impl(_arg),factors(_factors)
239{
240 for(int i = NDIM;i--;){
241 ASSERT(factors[i]>0.,"cannot stretch a shape by a negative amount");
242 reciFactors[i] = 1./factors[i];
243 }
244}
245
246Stretch_impl::~Stretch_impl(){}
247
248double Stretch_impl::getVolume() const
249{
250 // TODO
251 return -1.;
252}
253
254double Stretch_impl::getSurfaceArea() const
255{
256 // TODO
257 return -1.;
258}
259
260bool Stretch_impl::isInside(const Vector& point) const{
261 Vector helper=point;
262 helper.ScaleAll(reciFactors);
263 return getArg()->isInside(helper);
264}
265
266Vector Stretch_impl::translateIn(const Vector& point) const{
267 Vector helper=point;
268 helper.ScaleAll(reciFactors);
269 return helper;
270}
271
272Vector Stretch_impl::translateOutPos(const Vector& point) const{
273 Vector helper=point;
274 helper.ScaleAll(factors);
275 return helper;
276}
277
278Vector Stretch_impl::translateOutNormal(const Vector& point) const{
279 Vector helper=point;
280 // the normalFactors are derived from appearances of the factors
281 // with in the vectorproduct
282 Vector normalFactors;
283 normalFactors[0]=factors[1]*factors[2];
284 normalFactors[1]=factors[0]*factors[2];
285 normalFactors[2]=factors[0]*factors[1];
286 helper.ScaleAll(normalFactors);
287 return helper;
288}
289
290std::string Stretch_impl::toString() const{
291 std::stringstream sstr;
292 sstr << "stretch(" << getArg()->toString() << "," << factors << ")";
293 return sstr.str();
294}
295
296std::vector<Vector> Stretch_impl::getHomogeneousPointsOnSurface(const size_t N) const {
297 std::vector<Vector> PointsOnSurface = getArg()->getHomogeneousPointsOnSurface(N);
298 std::for_each(PointsOnSurface.begin(), PointsOnSurface.end(),
299 boost::bind( static_cast<void (Vector::*)(const Vector&)>(&Vector::ScaleAll), _1, reciFactors) );
300 return PointsOnSurface;
301}
302
303std::vector<Vector> Stretch_impl::getHomogeneousPointsInVolume(const size_t N) const {
304 std::vector<Vector> PointsOnSurface = getArg()->getHomogeneousPointsInVolume(N);
305 std::for_each(PointsOnSurface.begin(), PointsOnSurface.end(),
306 boost::bind( static_cast<void (Vector::*)(const Vector&)>(&Vector::ScaleAll), _1, reciFactors) );
307 return PointsOnSurface;
308}
309
310Shape stretch(const Shape &arg, const Vector &factors){
311 Shape::impl_ptr impl = Shape::impl_ptr(new Stretch_impl(getShapeImpl(arg),factors));
312 return Shape(impl);
313}
314
315/************************* transform *****************/
316
317Transform_impl::Transform_impl(const Shape::impl_ptr &_arg, const RealSpaceMatrix &_transformation) :
318 ShapeOpsBase_impl(_arg),transformation(_transformation)
319{
320 transformationInv = transformation.invert();
321}
322
323Transform_impl::~Transform_impl(){}
324
325double Transform_impl::getVolume() const
326{
327 return getArg()->getVolume();
328}
329
330double Transform_impl::getSurfaceArea() const
331{
332 return getArg()->getSurfaceArea();
333}
334
335bool Transform_impl::isInside(const Vector& point) const{
336 return getArg()->isInside(transformationInv * point);
337}
338
339Vector Transform_impl::translateIn(const Vector& point) const{
340 return transformationInv * point;
341}
342
343Vector Transform_impl::translateOutPos(const Vector& point) const{
344 return transformation * point;
345}
346
347Vector Transform_impl::translateOutNormal(const Vector& point) const
348{
349 RealSpaceMatrix mat = transformation.invert().transpose();
350 return mat * point;
351}
352
353std::string Transform_impl::toString() const{
354 std::stringstream sstr;
355 sstr << "transform(" << getArg()->toString() << "," << transformation << ")";
356 return sstr.str();
357}
358
359std::vector<Vector> Transform_impl::getHomogeneousPointsOnSurface(const size_t N) const {
360 std::vector<Vector> PointsOnSurface = getArg()->getHomogeneousPointsOnSurface(N);
361 std::transform( PointsOnSurface.begin(), PointsOnSurface.end(), PointsOnSurface.begin(),
362 boost::bind(static_cast<Vector(*)(const RealSpaceMatrix&,const Vector&)>(operator*), transformation, _1));
363 return PointsOnSurface;
364}
365
366std::vector<Vector> Transform_impl::getHomogeneousPointsInVolume(const size_t N) const {
367 std::vector<Vector> PointsOnSurface = getArg()->getHomogeneousPointsInVolume(N);
368 std::transform( PointsOnSurface.begin(), PointsOnSurface.end(), PointsOnSurface.begin(),
369 boost::bind(static_cast<Vector(*)(const RealSpaceMatrix&,const Vector&)>(operator*), transformation, _1));
370 return PointsOnSurface;
371}
372
373Shape transform(const Shape &arg, const RealSpaceMatrix &transformation){
374 Shape::impl_ptr impl = Shape::impl_ptr(new Transform_impl(getShapeImpl(arg),transformation));
375 return Shape(impl);
376}
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