| [87ec81] | 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 | /** \file moleculeStub.cpp | 
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|  | 24 | * | 
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|  | 25 | * Stub of class molecule. | 
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|  | 26 | * | 
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|  | 27 | */ | 
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|  | 28 |  | 
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|  | 29 | // include config.h | 
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|  | 30 | #ifdef HAVE_CONFIG_H | 
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|  | 31 | #include <config.h> | 
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|  | 32 | #endif | 
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|  | 33 |  | 
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| [9eb71b3] | 34 | //#include "CodePatterns/MemDebug.hpp" | 
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| [87ec81] | 35 |  | 
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|  | 36 | #include <boost/bind.hpp> | 
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|  | 37 | #include <string> | 
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|  | 38 |  | 
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|  | 39 | #include "molecule.hpp" | 
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|  | 40 |  | 
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|  | 41 | #include "Element/element.hpp" | 
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|  | 42 | #include "Shapes/BaseShapes.hpp" | 
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|  | 43 |  | 
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|  | 44 |  | 
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|  | 45 | /************************************* Functions for class molecule *********************************/ | 
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|  | 46 |  | 
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|  | 47 | /** Constructor of class molecule. | 
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|  | 48 | * Initialises molecule list with correctly referenced start and end, and sets molecule::last_atom to zero. | 
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|  | 49 | */ | 
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|  | 50 |  | 
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|  | 51 | const std::string molecule::getName() const{ | 
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|  | 52 | return std::string(name); | 
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|  | 53 | } | 
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|  | 54 |  | 
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|  | 55 | Shape molecule::getBoundingShape(const double scale) const | 
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|  | 56 | { | 
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|  | 57 | // create Sphere around every atom | 
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|  | 58 | return Sphere(); | 
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|  | 59 | } | 
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|  | 60 |  | 
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