/*
* Project: MoleCuilder
* Description: creates and alters molecular systems
* Copyright (C) 2010-2012 University of Bonn. All rights reserved.
* Copyright (C) 2013 Frederik Heber. All rights reserved.
*
*
* This file is part of MoleCuilder.
*
* MoleCuilder is free software: you can redistribute it and/or modify
* it under the terms of the GNU General Public License as published by
* the Free Software Foundation, either version 2 of the License, or
* (at your option) any later version.
*
* MoleCuilder is distributed in the hope that it will be useful,
* but WITHOUT ANY WARRANTY; without even the implied warranty of
* MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the
* GNU General Public License for more details.
*
* You should have received a copy of the GNU General Public License
* along with MoleCuilder. If not, see .
*/
/*
* ShapeOps.cpp
*
* Created on: Jun 18, 2010
* Author: crueger
*/
// include config.h
#ifdef HAVE_CONFIG_H
#include
#endif
#include "CodePatterns/MemDebug.hpp"
#include
#include
#include
#include "Shapes/ShapeExceptions.hpp"
#include "Shapes/ShapeOps.hpp"
#include "Shapes/ShapeOps_impl.hpp"
#include "LinearAlgebra/Vector.hpp"
#include "CodePatterns/Assert.hpp"
/*************** Base case ***********************/
ShapeOpsBase_impl::ShapeOpsBase_impl(const Shape::impl_ptr &_arg) :
arg(_arg){}
ShapeOpsBase_impl::~ShapeOpsBase_impl(){}
bool ShapeOpsBase_impl::isInside(const Vector &point) const{
return arg->isInside(translateIn(point));
}
bool ShapeOpsBase_impl::isOnSurface(const Vector &point) const{
return arg->isOnSurface(translateIn(point));
}
Vector ShapeOpsBase_impl::getNormal(const Vector &point) const throw (NotOnSurfaceException){
Vector helper = translateIn(point);
if(!arg->isOnSurface(helper)){
throw NotOnSurfaceException() << ShapeVector(&helper);
}
Vector res = translateOutNormal(arg->getNormal(helper));
res.Normalize();
return res;
}
Vector ShapeOpsBase_impl::getCenter() const
{
return arg->getCenter();
}
double ShapeOpsBase_impl::getRadius() const
{
return translateOutPos(Vector(arg->getRadius(), 0., 0.)).Norm();
}
LineSegmentSet ShapeOpsBase_impl::getLineIntersections(const Line &line) const{
Line newLine(translateIn(line.getOrigin()),translateIn(line.getDirection()));
LineSegmentSet res(line);
LineSegmentSet helper = getArg()->getLineIntersections(newLine);
for(LineSegmentSet::iterator iter = helper.begin();iter!=helper.end();++iter){
LinePoint lpBegin = iter->getBegin();
LinePoint lpEnd = iter->getBegin();
// translate both linepoints
lpBegin = lpBegin.isNegInfinity()?
line.negEndpoint():
line.getLinePoint(translateOutPos(lpBegin.getPoint()));
lpEnd = lpEnd.isPosInfinity()?
line.posEndpoint():
line.getLinePoint(translateOutPos(lpEnd.getPoint()));
res.insert(LineSegment(lpBegin,lpEnd));
}
return res;
}
enum ShapeType ShapeOpsBase_impl::getType() const {
return getArg()->getType();
}
std::vector ShapeOpsBase_impl::getHomogeneousPointsOnSurface(const size_t N) const {
std::vector PointsOnSurface = getArg()->getHomogeneousPointsOnSurface(N);
std::transform(PointsOnSurface.begin(), PointsOnSurface.end(), PointsOnSurface.begin(),
boost::bind(&ShapeOpsBase_impl::translateOutPos, this, _1) );
return PointsOnSurface;
}
std::vector ShapeOpsBase_impl::getHomogeneousPointsInVolume(const size_t N) const {
std::vector PointsOnSurface = getArg()->getHomogeneousPointsInVolume(N);
std::transform(PointsOnSurface.begin(), PointsOnSurface.end(), PointsOnSurface.begin(),
boost::bind(&ShapeOpsBase_impl::translateOutPos, this, _1) );
return PointsOnSurface;
}
Shape::impl_ptr ShapeOpsBase_impl::getArg() const{
return arg;
}
/********************* Resize ********************/
Resize_impl::Resize_impl(const Shape::impl_ptr &_arg,double _size) :
ShapeOpsBase_impl(_arg), size(_size)
{
ASSERT(size>0,"Cannot resize a Shape to size zero or below");
}
Resize_impl::~Resize_impl(){}
double Resize_impl::getVolume() const
{
return getArg()->getVolume() * size * size * size;
}
double Resize_impl::getSurfaceArea() const
{
return getArg()->getSurfaceArea() * size * size;
}
bool Resize_impl::isInside(const Vector& point) const{
return getArg()->isInside((1./size) * point);
}
Vector Resize_impl::translateIn(const Vector& point) const{
return (1./size) * point;
}
Vector Resize_impl::translateOutPos(const Vector& point) const{
return size * point;
}
Vector Resize_impl::translateOutNormal(const Vector& point) const{
return point;
}
std::string Resize_impl::toString() const{
std::stringstream sstr;
sstr << "resize(" << getArg()->toString() << "," << size << ")";
return sstr.str();
}
Shape resize(const Shape &arg,double size){
Shape::impl_ptr impl = Shape::impl_ptr(new Resize_impl(getShapeImpl(arg),size));
return Shape(impl);
}
/*************************** translate *******************/
Translate_impl::Translate_impl(const Shape::impl_ptr &_arg, const Vector &_offset) :
ShapeOpsBase_impl(_arg),offset(_offset)
{}
Translate_impl::~Translate_impl(){}
bool Translate_impl::isInside(const Vector& point) const{
return getArg()->isInside(point-offset);
}
Vector Translate_impl::getCenter() const
{
return getArg()->getCenter()+offset;
}
double Translate_impl::getRadius() const
{
return getArg()->getRadius();
}
double Translate_impl::getVolume() const
{
return getArg()->getVolume();
}
double Translate_impl::getSurfaceArea() const
{
return getArg()->getSurfaceArea();
}
Vector Translate_impl::translateIn(const Vector& point) const{
return point-offset;
}
Vector Translate_impl::translateOutPos(const Vector& point) const{
return point+offset;
}
Vector Translate_impl::translateOutNormal(const Vector& point) const{
return point;
}
std::string Translate_impl::toString() const{
std::stringstream sstr;
sstr << "translate(" << getArg()->toString() << "," << offset << ")";
return sstr.str();
}
Shape translate(const Shape &arg, const Vector &offset){
Shape::impl_ptr impl = Shape::impl_ptr(new Translate_impl(getShapeImpl(arg),offset));
return Shape(impl);
}
/*********************** stretch ******************/
Stretch_impl::Stretch_impl(const Shape::impl_ptr &_arg, const Vector &_factors) :
ShapeOpsBase_impl(_arg),factors(_factors)
{
for(int i = NDIM;i--;){
ASSERT(factors[i]>0.,"cannot stretch a shape by a negative amount");
reciFactors[i] = 1./factors[i];
}
}
Stretch_impl::~Stretch_impl(){}
double Stretch_impl::getVolume() const
{
// TODO
return getArg()->getVolume() * factors[0] * factors[1] * factors[2];
}
double Stretch_impl::getSurfaceArea() const
{
// TODO
return getArg()->getSurfaceArea() * pow(factors[0] * factors[1] * factors[2], 2./3.);
}
bool Stretch_impl::isInside(const Vector& point) const{
Vector helper=point;
helper.ScaleAll(reciFactors);
return getArg()->isInside(helper);
}
Vector Stretch_impl::translateIn(const Vector& point) const{
Vector helper=point;
helper.ScaleAll(reciFactors);
return helper;
}
Vector Stretch_impl::translateOutPos(const Vector& point) const{
Vector helper=point;
helper.ScaleAll(factors);
return helper;
}
Vector Stretch_impl::translateOutNormal(const Vector& point) const{
Vector helper=point;
// the normalFactors are derived from appearances of the factors
// with in the vectorproduct
Vector normalFactors;
normalFactors[0]=factors[1]*factors[2];
normalFactors[1]=factors[0]*factors[2];
normalFactors[2]=factors[0]*factors[1];
helper.ScaleAll(normalFactors);
return helper;
}
std::string Stretch_impl::toString() const{
std::stringstream sstr;
sstr << "stretch(" << getArg()->toString() << "," << factors << ")";
return sstr.str();
}
Shape stretch(const Shape &arg, const Vector &factors){
Shape::impl_ptr impl = Shape::impl_ptr(new Stretch_impl(getShapeImpl(arg),factors));
return Shape(impl);
}
/************************* transform *****************/
Transform_impl::Transform_impl(const Shape::impl_ptr &_arg, const RealSpaceMatrix &_transformation) :
ShapeOpsBase_impl(_arg),transformation(_transformation)
{
transformationInv = transformation.invert();
}
Transform_impl::~Transform_impl(){}
double Transform_impl::getVolume() const
{
return getArg()->getVolume() * transformation.determinant();
}
double Transform_impl::getSurfaceArea() const
{
return getArg()->getSurfaceArea() * pow(transformation.determinant(), 2./3.);
}
bool Transform_impl::isInside(const Vector& point) const{
return getArg()->isInside(transformationInv * point);
}
Vector Transform_impl::translateIn(const Vector& point) const{
return transformationInv * point;
}
Vector Transform_impl::translateOutPos(const Vector& point) const{
return transformation * point;
}
Vector Transform_impl::translateOutNormal(const Vector& point) const
{
RealSpaceMatrix mat = transformation.invert().transpose();
return mat * point;
}
std::string Transform_impl::toString() const{
std::stringstream sstr;
sstr << "transform(" << getArg()->toString() << "," << transformation << ")";
return sstr.str();
}
Shape transform(const Shape &arg, const RealSpaceMatrix &transformation){
Shape::impl_ptr impl = Shape::impl_ptr(new Transform_impl(getShapeImpl(arg),transformation));
return Shape(impl);
}