/* * 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; }