/*
* 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 .
*/
/*
* PotentialFactory.cpp
*
* Created on: 30.11.2012
* Author: heber
*/
// include config.h
#ifdef HAVE_CONFIG_H
#include
#endif
#include "CodePatterns/MemDebug.hpp"
#include "PotentialFactory.hpp"
#include
#include
#include "CodePatterns/Singleton_impl.hpp"
#include "Potentials/SerializablePotential.hpp"
#include "Potentials/Specifics/ManyBodyPotential_Tersoff.hpp"
#include "Potentials/Specifics/PairPotential_Angle.hpp"
#include "Potentials/Specifics/PairPotential_Harmonic.hpp"
#include "Potentials/Specifics/PairPotential_Morse.hpp"
#include "Potentials/Specifics/SaturationPotential.hpp"
// static defines
PotentialFactory::NameToType_t PotentialFactory::NameToType =
boost::assign::map_list_of
("tersoff", tersoff)
("morse", morse)
("harmonic", harmonic)
("harmonic_angle", harmonic_angle)
("saturation", saturation)
;
PotentialFactory::TypeToName_t PotentialFactory::TypeToName =
boost::assign::map_list_of
(tersoff, "tersoff")
(morse, "morse")
(harmonic, "harmonic")
(harmonic_angle, "harmonic_angle")
(saturation, "saturation")
;
FunctionModel *PotentialFactory::createInstance(
const std::string &potentialtype,
const FunctionModel::charges_t &charges) const
{
ASSERT (NameToType.count(potentialtype),
"PotentialFactory::createInstance() - cannot find potential of name "+potentialtype);
SerializablePotential::ParticleTypes_t types;
types.resize(charges.size());
std::transform(charges.begin(), charges.end(), types.begin(), boost::lambda::_1);
switch (NameToType[potentialtype]) {
case tersoff:
return new ManyBodyPotential_Tersoff(types);
case morse:
return new PairPotential_Morse(types);
case harmonic:
return new PairPotential_Harmonic(types);
case harmonic_angle:
return new PairPotential_Angle(types);
case saturation:
return new SaturationPotential(types);
default:
ASSERT(0, "PotentialFactory::createInstance() - unknown potential desired to create.");
}
return NULL;
}
CONSTRUCT_SINGLETON(PotentialFactory)