/*
* Project: MoleCuilder
* Description: creates and alters molecular systems
* Copyright (C) 2012 University of Bonn. All rights reserved.
* Please see the COPYING file or "Copyright notice" in builder.cpp for details.
*
*
* 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 .
*/
/*
* FragmentEdge.cpp
*
* Created on: Sep 24, 2012
* Author: heber
*/
// include config.h
#ifdef HAVE_CONFIG_H
#include
#endif
// include headers that implement a archive in simple text format
// otherwise BOOST_CLASS_EXPORT_IMPLEMENT has no effect
#include
#include
#include "CodePatterns/MemDebug.hpp"
#include "FragmentEdge.hpp"
#include
#include "CodePatterns/Assert.hpp"
FragmentEdge::FragmentEdge() :
AtomicNumberPair(std::make_pair(0,0))
{}
FragmentEdge::FragmentEdge(const AtomicNumberPair_t &_pair) :
AtomicNumberPair(_pair)
{
ASSERT( AtomicNumberPair.first < AtomicNumberPair.second,
"FragmentEdge::FragmentEdge() - when giving as pair, first must be less than second.");
}
FragmentEdge::FragmentEdge(const size_t _left, const size_t _right) :
AtomicNumberPair( _left < _right ? std::make_pair(_left,_right) : std::make_pair(_right,_left))
{}
/** Assignment operator for class FragmentEdge.
*
* We need this assignment to overcome the constness of the member. For STL
* containers default cstors and usable assignment ops are required. This
* const_cast is only way to allow for const member variables.
*
* @param edge other instance to use in assignment
* @return this instance for concatenation
*/
FragmentEdge& FragmentEdge::operator=(const FragmentEdge &edge)
{
// check self-assignment
if (this != &edge) {
const_cast(this->AtomicNumberPair) = edge.AtomicNumberPair;
}
return *this;
}
bool FragmentEdge::operator<(const FragmentEdge &edge) const
{
if (AtomicNumberPair.first < edge.AtomicNumberPair.first) {
return true;
} else if (AtomicNumberPair.first > edge.AtomicNumberPair.first) {
return false;
} else {
if (AtomicNumberPair.second < edge.AtomicNumberPair.second)
return true;
else
return false;
}
}
bool FragmentEdge::operator>(const FragmentEdge &edge) const
{
if (AtomicNumberPair.first > edge.AtomicNumberPair.first) {
return true;
} else if (AtomicNumberPair.first < edge.AtomicNumberPair.first) {
return false;
} else {
if (AtomicNumberPair.second > edge.AtomicNumberPair.second)
return true;
else
return false;
}
}
bool FragmentEdge::operator==(const FragmentEdge &edge) const
{
if (AtomicNumberPair.first != edge.AtomicNumberPair.first) {
return false;
} else {
return (AtomicNumberPair.second == edge.AtomicNumberPair.second);
}
}
std::ostream& operator<<(std::ostream &out, const FragmentEdge &edge)
{
out << edge.AtomicNumberPair.first << "<->" << edge.AtomicNumberPair.second;
return out;
}
//
//// we need to explicitly instantiate the serialization functions
//BOOST_CLASS_EXPORT_IMPLEMENT(FragmentEdge)