| [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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