00001 // -*- mode: c++; -*- 00002 // 00003 //The Biomolecule Toolkit (BTK) is a C++ library for use in the 00004 //modeling, analysis, and design of biological macromolecules. 00005 //Copyright (C) 2004, Christopher Saunders <ctsa@users.sourceforge.net> 00006 // 00007 //This program is free software; you can redistribute it and/or modify 00008 //it under the terms of the GNU Lesser General Public License as published 00009 //by the Free Software Foundation; either version 2.1 of the License, or (at 00010 //your option) any later version. 00011 // 00012 //This program is distributed in the hope that it will be useful, but 00013 //WITHOUT ANY WARRANTY; without even the implied warranty of 00014 //MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU 00015 //Lesser General Public License for more details. 00016 // 00017 //You should have received a copy of the GNU Lesser General Public License 00018 //along with this program; if not, write to the Free Software Foundation, 00019 //Inc., 59 Temple Place - Suite 330, Boston, MA 02111-1307, USA. 00020 // 00021 00022 00023 #ifndef BTK_ATOM_INDEX_PAIR_H 00024 #define BTK_ATOM_INDEX_PAIR_H 00025 00026 #include "atom_types.h" 00027 00028 #include <algorithm> 00029 #include <utility> 00030 00031 00032 namespace BTK{ 00033 00034 struct AtomIndexPair { 00035 typedef std::pair<int,ATOM::index_t> monomer_atom_idx_t; 00036 00037 AtomIndexPair() {} 00038 00039 AtomIndexPair(monomer_atom_idx_t atom_index1, 00040 monomer_atom_idx_t atom_index2) 00041 : _atom_index1(atom_index1), 00042 _atom_index2(atom_index2) 00043 { 00044 if(_atom_index1>_atom_index2) std::swap(_atom_index1,_atom_index2); 00045 } 00046 00047 bool 00048 operator<(const AtomIndexPair& right) const 00049 { 00050 if ( _atom_index1 == right._atom_index1 ) 00051 return _atom_index2 < right._atom_index2; 00052 else 00053 return _atom_index1 < right._atom_index1; 00054 } 00055 00056 monomer_atom_idx_t atom_index1() const { return _atom_index1; } 00057 monomer_atom_idx_t atom_index2() const { return _atom_index2; } 00058 00059 private: 00060 monomer_atom_idx_t _atom_index1; 00061 monomer_atom_idx_t _atom_index2; 00062 }; 00063 00064 } 00065 00066 #endif 00067 00068
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