| 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 | * FragmentNode.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 headers that implement a archive in simple text format
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| 38 | // otherwise BOOST_CLASS_EXPORT_IMPLEMENT has no effect
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| 39 | #include <boost/archive/text_oarchive.hpp>
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| 40 | #include <boost/archive/text_iarchive.hpp>
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| 41 |
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| 42 | #include "CodePatterns/MemDebug.hpp"
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| 43 |
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| 44 | #include "FragmentNode.hpp"
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| 45 |
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| 46 | #include <iostream>
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| 47 |
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| 48 | /** Assignment operator for class FragmentNode.
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| 49 | *
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| 50 | * We need this assignment to overcome the constness of the member. For STL
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| 51 | * containers default cstors and usable assignment ops are required. This
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| 52 | * const_cast is only way to allow for const member variables.
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| 53 | *
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| 54 | * @param edge other instance to use in assignment
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| 55 | * @return this instance for concatenation
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| 56 | */
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| 57 | FragmentNode& FragmentNode::operator=(const FragmentNode &node)
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| 58 | {
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| 59 | // check self-assignment
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| 60 | if (this != &node) {
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| 61 | const_cast<size_t &>(this->AtomicNumber) = node.AtomicNumber;
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| 62 | const_cast<size_t &>(this->ConnectedEdges) = node.ConnectedEdges;
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| 63 | }
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| 64 | return *this;
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| 65 | }
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| 66 |
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| 67 | bool FragmentNode::operator<(const FragmentNode &node) const
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| 68 | {
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| 69 | if (AtomicNumber < node.AtomicNumber) {
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| 70 | return true;
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| 71 | } else if (AtomicNumber > node.AtomicNumber) {
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| 72 | return false;
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| 73 | } else {
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| 74 | if (ConnectedEdges < node.ConnectedEdges)
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| 75 | return true;
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| 76 | else
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| 77 | return false;
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| 78 | }
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| 79 | }
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| 80 |
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| 81 | bool FragmentNode::operator>(const FragmentNode &node) const
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| 82 | {
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| 83 | if (AtomicNumber > node.AtomicNumber) {
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| 84 | return true;
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| 85 | } else if (AtomicNumber < node.AtomicNumber) {
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| 86 | return false;
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| 87 | } else {
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| 88 | if (ConnectedEdges > node.ConnectedEdges)
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| 89 | return true;
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| 90 | else
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| 91 | return false;
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| 92 | }
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| 93 | }
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| 94 |
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| 95 | bool FragmentNode::operator==(const FragmentNode &node) const
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| 96 | {
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| 97 | if (AtomicNumber != node.AtomicNumber) {
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| 98 | return false;
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| 99 | } else {
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| 100 | return (ConnectedEdges == node.ConnectedEdges);
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| 101 | }
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| 102 | }
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| 103 |
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| 104 | std::ostream& operator<<(std::ostream &out, const FragmentNode &node)
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| 105 | {
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| 106 | out << "[Z" << node.AtomicNumber << ",E" << node.ConnectedEdges << "]";
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| 107 | return out;
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| 108 | }
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| 109 |
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| 110 |
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| 111 | // we need to explicitly instantiate the serialization functions
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| 112 | BOOST_CLASS_EXPORT_IMPLEMENT(FragmentNode)
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