/*
* 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 .
*/
/*
* SaturatedBondStub.cpp
*
* Created on: Jul 28, 2014
* Author: heber
*/
// include config.h
#ifdef HAVE_CONFIG_H
#include
#endif
//#include "CodePatterns/MemDebug.hpp"
#include "Fragmentation/Exporters/SaturatedBond.hpp"
#include "Atom/atom.hpp"
SaturatedBond::SaturatedBond(
const bond &_bond,
const atom& _remaining) :
saturated_bond(_bond),
saturated_atom(_remaining)
{
switch (_remaining.getId()) {
case 0:
BondVector = Vector(0.,0.,0.);
break;
case 1:
BondVector = Vector(1.,0.,0.);
break;
case 2:
BondVector = Vector(-1.,0.,0.);
break;
case 3:
BondVector = Vector(0.,1.,0.);
break;
case 4:
BondVector = Vector(0.,-1.,0.);
break;
}
vector_a.Zero();
vector_b.Zero();
}
std::vector SaturatedBond::getPositions() const
{
std::vector positions;
positions.push_back(BondVector);
return positions;
}