/*
* Project: MoleCuilder
* Description: creates and alters molecular systems
* Copyright (C) 2013 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 .
*/
/*
* toPythonString.cpp
*
* Created on: Aug 26, 2013
* Author: heber
*/
// include config.h
#ifdef HAVE_CONFIG_H
#include
#endif
#include "CodePatterns/MemDebug.hpp"
#include "toPythonString.hpp"
#include "Element/element.hpp"
#include "LinearAlgebra/RealSpaceMatrix.hpp"
#include "LinearAlgebra/Vector.hpp"
#include "Parameters/Specifics/KeyValuePair.hpp"
template <>
const std::string toPythonString( const boost::filesystem::path & _value)
{
return _value.string();
}
template <>
const std::string toPythonString( const element & _value)
{
std::stringstream output;
output << _value.getAtomicNumber();
return output.str();
}
template <>
const std::string toPythonString( const KeyValuePair & _value)
{
std::stringstream output;
const char semicolon(';');
const size_t semicolon_pos = _value.find_last_of(semicolon, std::string::npos);
const size_t final_equality_pos = _value.find('=', semicolon_pos);
output << _value;
if ((semicolon_pos == std::string::npos)
|| (final_equality_pos != std::string::npos))
output << semicolon;
return output.str();
}
template <>
const std::string toPythonString( const RealSpaceMatrix& _value)
{
std::stringstream output;
output
<< _value.at(0,0) << ","
<< _value.at(0,1) << ","
<< _value.at(0,2) << ","
<< _value.at(1,1) << ","
<< _value.at(1,2) << ","
<< _value.at(2,2);
return output.str();
}
template <>
const std::string toPythonString( const Vector& _value)
{
std::stringstream output;
output << _value[0] << "," << _value[1] << "," << _value[2];
return output.str();
}