| [9928395] | 1 | /*
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 | 2 |  * Project: MoleCuilder
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 | 3 |  * Description: creates and alters molecular systems
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 | 4 |  * Copyright (C)  2013 Frederik Heber. All rights reserved.
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 | 5 |  * 
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 | 6 |  *
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 | 7 |  *   This file is part of MoleCuilder.
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 | 8 |  *
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 | 9 |  *    MoleCuilder is free software: you can redistribute it and/or modify
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 | 10 |  *    it under the terms of the GNU General Public License as published by
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 | 11 |  *    the Free Software Foundation, either version 2 of the License, or
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 | 12 |  *    (at your option) any later version.
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 | 13 |  *
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 | 14 |  *    MoleCuilder is distributed in the hope that it will be useful,
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 | 15 |  *    but WITHOUT ANY WARRANTY; without even the implied warranty of
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 | 16 |  *    MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE.  See the
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 | 17 |  *    GNU General Public License for more details.
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 | 18 |  *
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 | 19 |  *    You should have received a copy of the GNU General Public License
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 | 20 |  *    along with MoleCuilder.  If not, see <http://www.gnu.org/licenses/>.
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 | 21 |  */
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 | 22 | 
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 | 23 | /*
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 | 24 |  * toPythonString.cpp
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 | 25 |  *
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 | 26 |  *  Created on: Aug 26, 2013
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 | 27 |  *      Author: heber
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 | 28 |  */
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 | 29 | 
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 | 30 | // include config.h
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 | 31 | #ifdef HAVE_CONFIG_H
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 | 32 | #include <config.h>
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 | 33 | #endif
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 | 34 | 
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 | 35 | #include "CodePatterns/MemDebug.hpp"
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 | 36 | 
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 | 37 | #include "toPythonString.hpp"
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 | 38 | 
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 | 39 | #include "Element/element.hpp"
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 | 40 | #include "LinearAlgebra/RealSpaceMatrix.hpp"
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 | 41 | #include "LinearAlgebra/Vector.hpp"
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 | 42 | 
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 | 43 | template <>
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 | 44 | const std::string toPythonString( const boost::filesystem::path & _value)
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 | 45 | {
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 | 46 |   return _value.string();
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 | 47 | }
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 | 48 | 
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 | 49 | template <>
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 | 50 | const std::string toPythonString( const element & _value)
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 | 51 | {
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 | 52 |   std::stringstream output;
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 | 53 |   output << _value.getAtomicNumber();
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 | 54 |   return output.str();
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 | 55 | }
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 | 56 | 
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 | 57 | template <>
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 | 58 | const std::string toPythonString( const RealSpaceMatrix& _value)
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 | 59 | {
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 | 60 |   std::stringstream output;
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 | 61 |   output
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 | 62 |     << _value.at(0,0) << ","
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 | 63 |     << _value.at(0,1) << ","
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 | 64 |     << _value.at(0,2) << ","
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 | 65 |     << _value.at(1,1) << ","
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 | 66 |     << _value.at(1,2) << ","
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 | 67 |     << _value.at(2,2);
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 | 68 |   return output.str();
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 | 69 | }
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 | 70 | 
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 | 71 | template <>
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 | 72 | const std::string toPythonString( const Vector& _value)
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 | 73 | {
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 | 74 |   std::stringstream output;
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 | 75 |   output << _value[0] << "," << _value[1] << "," << _value[2];
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 | 76 |   return output.str();
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 | 77 | }
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