/*
* Project: MoleCuilder
* Description: creates and alters molecular systems
* Copyright (C) 2014 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 .
*/
/*
* FragmentForces.cpp
*
* Created on: Oct 23, 2014
* 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 "CodePatterns/Assert.hpp"
#include "FragmentForces.hpp"
bool FragmentForces::operator==(const FragmentForces& other) const
{
if( size() != other.size())
return false;
forces_t::const_iterator iter = begin();
forces_t::const_iterator otheriter = other.begin();
for (; iter != end(); ++iter, ++otheriter) {
if( iter->size() != otheriter->size())
return false;
force_t::const_iterator forceiter = iter->begin();
force_t::const_iterator otherforceiter = otheriter->begin();
for (; forceiter != iter->end(); ++forceiter, ++otherforceiter) {
if (*forceiter != *otherforceiter)
return false;
}
}
return true;
}
void FragmentForces::operator+=(const FragmentForces& other)
{
ASSERT( size() == other.size(),
"FragmentForces::operator+=() - unequal number of force vectors.");
forces_t::iterator iter = begin();
forces_t::const_iterator otheriter = other.begin();
for (; iter != end(); ++iter, ++otheriter) {
ASSERT( iter->size() == otheriter->size(),
"FragmentForces::operator+=() - force vectors having unequal number of components.");
force_t::iterator forceiter = iter->begin();
force_t::const_iterator otherforceiter = otheriter->begin();
for (; forceiter != iter->end(); ++forceiter, ++otherforceiter) {
*forceiter += *otherforceiter;
}
}
}
std::ostream & operator<<(std::ostream &ost, const FragmentForces &forces)
{
for (FragmentForces::forces_t::const_iterator iter = forces.begin();
iter != forces.end(); ++iter) {
if (iter != forces.begin())
ost << "; ";
ost << "[";
for (FragmentForces::force_t::const_iterator forceiter = iter->begin();
forceiter != iter->end(); ++forceiter) {
if (forceiter != iter->begin())
ost << ",";
ost << *forceiter;
}
ost << "]";
}
return ost;
}
// we need to explicitly instantiate the serialization functions as
// its is only serialized through its base class FragmentJob
BOOST_CLASS_EXPORT_IMPLEMENT(FragmentForces)