/* * 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(); }