| 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)  2012 University of Bonn. All rights reserved.
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| 5 |  * Please see the COPYING file or "Copyright notice" in builder.cpp for details.
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| 6 |  * 
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| 7 |  *
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| 8 |  *   This file is part of MoleCuilder.
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| 9 |  *
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| 10 |  *    MoleCuilder is free software: you can redistribute it and/or modify
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| 11 |  *    it under the terms of the GNU General Public License as published by
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| 12 |  *    the Free Software Foundation, either version 2 of the License, or
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| 13 |  *    (at your option) any later version.
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| 14 |  *
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| 15 |  *    MoleCuilder is distributed in the hope that it will be useful,
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| 16 |  *    but WITHOUT ANY WARRANTY; without even the implied warranty of
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| 17 |  *    MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE.  See the
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| 18 |  *    GNU General Public License for more details.
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| 19 |  *
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| 20 |  *    You should have received a copy of the GNU General Public License
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| 21 |  *    along with MoleCuilder.  If not, see <http://www.gnu.org/licenses/>. 
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| 22 |  */
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| 23 | 
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| 24 | /*
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| 25 |  * FragmentEdge.cpp
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| 26 |  *
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| 27 |  *  Created on: Sep 24, 2012
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| 28 |  *      Author: heber
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| 29 |  */
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| 30 | 
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| 31 | 
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| 32 | // include config.h
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| 33 | #ifdef HAVE_CONFIG_H
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| 34 | #include <config.h>
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| 35 | #endif
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| 36 | 
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| 37 | #include "CodePatterns/MemDebug.hpp"
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| 38 | 
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| 39 | #include "FragmentEdge.hpp"
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| 40 | 
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| 41 | #include <iostream>
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| 42 | 
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| 43 | #include "CodePatterns/Assert.hpp"
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| 44 | 
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| 45 | FragmentEdge::FragmentEdge() :
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| 46 |   AtomicNumberPair(std::make_pair(0,0))
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| 47 | {}
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| 48 | 
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| 49 | FragmentEdge::FragmentEdge(const AtomicNumberPair_t &_pair) :
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| 50 |   AtomicNumberPair(_pair)
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| 51 | {
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| 52 |   ASSERT( AtomicNumberPair.first < AtomicNumberPair.second,
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| 53 |       "FragmentEdge::FragmentEdge() - when giving as pair, first must be less than second.");
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| 54 | }
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| 55 | 
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| 56 | FragmentEdge::FragmentEdge(const size_t _left, const size_t _right) :
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| 57 |   AtomicNumberPair( _left < _right ? std::make_pair(_left,_right) : std::make_pair(_right,_left))
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| 58 | {}
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| 59 | 
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| 60 | /** Assignment operator for class FragmentEdge.
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| 61 |  *
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| 62 |  * We need this assignment to overcome the constness of the member. For STL
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| 63 |  * containers default cstors and usable assignment ops are required. This
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| 64 |  * const_cast is only way to allow for const member variables.
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| 65 |  *
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| 66 |  * @param edge other instance to use in assignment
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| 67 |  * @return this instance for concatenation
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| 68 |  */
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| 69 | FragmentEdge& FragmentEdge::operator=(const FragmentEdge &edge)
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| 70 | {
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| 71 |   // check self-assignment
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| 72 |   if (this != &edge) {
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| 73 |     const_cast<AtomicNumberPair_t &>(this->AtomicNumberPair) = edge.AtomicNumberPair;
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| 74 |   }
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| 75 |   return *this;
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| 76 | }
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| 77 | 
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| 78 | bool FragmentEdge::operator<(const FragmentEdge &edge) const
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| 79 | {
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| 80 |   if (AtomicNumberPair.first < edge.AtomicNumberPair.first) {
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| 81 |     return true;
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| 82 |   } else if (AtomicNumberPair.first > edge.AtomicNumberPair.first) {
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| 83 |     return false;
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| 84 |   } else {
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| 85 |     if (AtomicNumberPair.second < edge.AtomicNumberPair.second)
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| 86 |       return true;
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| 87 |     else
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| 88 |       return false;
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| 89 |   }
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| 90 | }
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| 91 | 
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| 92 | bool FragmentEdge::operator>(const FragmentEdge &edge) const
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| 93 | {
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| 94 |   if (AtomicNumberPair.first > edge.AtomicNumberPair.first) {
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| 95 |     return true;
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| 96 |   } else if (AtomicNumberPair.first < edge.AtomicNumberPair.first) {
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| 97 |     return false;
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| 98 |   } else {
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| 99 |     if (AtomicNumberPair.second > edge.AtomicNumberPair.second)
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| 100 |       return true;
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| 101 |     else
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| 102 |       return false;
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| 103 |   }
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| 104 | }
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| 105 | 
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| 106 | bool FragmentEdge::operator==(const FragmentEdge &edge) const
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| 107 | {
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| 108 |   if (AtomicNumberPair.first != edge.AtomicNumberPair.first) {
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| 109 |     return false;
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| 110 |   } else {
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| 111 |     return (AtomicNumberPair.second == edge.AtomicNumberPair.second);
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| 112 |   }
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| 113 | }
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| 114 | 
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| 115 | std::ostream& operator<<(std::ostream &out, const FragmentEdge &edge)
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| 116 | {
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| 117 |   out << edge.AtomicNumberPair.first << "<->" << edge.AtomicNumberPair.second;
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| 118 |   return out;
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| 119 | }
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