| 1 | < | /* | 
| 2 | < | * Copyright (c) 2005 The University of Notre Dame. All Rights Reserved. | 
| 3 | < | * | 
| 4 | < | * The University of Notre Dame grants you ("Licensee") a | 
| 5 | < | * non-exclusive, royalty free, license to use, modify and | 
| 6 | < | * redistribute this software in source and binary code form, provided | 
| 7 | < | * that the following conditions are met: | 
| 8 | < | * | 
| 9 | < | * 1. Acknowledgement of the program authors must be made in any | 
| 10 | < | *    publication of scientific results based in part on use of the | 
| 11 | < | *    program.  An acceptable form of acknowledgement is citation of | 
| 12 | < | *    the article in which the program was described (Matthew | 
| 13 | < | *    A. Meineke, Charles F. Vardeman II, Teng Lin, Christopher | 
| 14 | < | *    J. Fennell and J. Daniel Gezelter, "OOPSE: An Object-Oriented | 
| 15 | < | *    Parallel Simulation Engine for Molecular Dynamics," | 
| 16 | < | *    J. Comput. Chem. 26, pp. 252-271 (2005)) | 
| 17 | < | * | 
| 18 | < | * 2. Redistributions of source code must retain the above copyright | 
| 19 | < | *    notice, this list of conditions and the following disclaimer. | 
| 20 | < | * | 
| 21 | < | * 3. Redistributions in binary form must reproduce the above copyright | 
| 22 | < | *    notice, this list of conditions and the following disclaimer in the | 
| 23 | < | *    documentation and/or other materials provided with the | 
| 24 | < | *    distribution. | 
| 25 | < | * | 
| 26 | < | * This software is provided "AS IS," without a warranty of any | 
| 27 | < | * kind. All express or implied conditions, representations and | 
| 28 | < | * warranties, including any implied warranty of merchantability, | 
| 29 | < | * fitness for a particular purpose or non-infringement, are hereby | 
| 30 | < | * excluded.  The University of Notre Dame and its licensors shall not | 
| 31 | < | * be liable for any damages suffered by licensee as a result of | 
| 32 | < | * using, modifying or distributing the software or its | 
| 33 | < | * derivatives. In no event will the University of Notre Dame or its | 
| 34 | < | * licensors be liable for any lost revenue, profit or data, or for | 
| 35 | < | * direct, indirect, special, consequential, incidental or punitive | 
| 36 | < | * damages, however caused and regardless of the theory of liability, | 
| 37 | < | * arising out of the use of or inability to use software, even if the | 
| 38 | < | * University of Notre Dame has been advised of the possibility of | 
| 39 | < | * such damages. | 
| 40 | < | */ | 
| 41 | < |  | 
| 42 | < | #ifndef UTILS_TUPLE_HPP | 
| 43 | < | #define UTILS_TUPLE_HPP | 
| 44 | < |  | 
| 45 | < | namespace oopse { | 
| 46 | < |  | 
| 47 | < | template <class T1, class T2, class T3> | 
| 48 | < | struct tuple3 { | 
| 49 | < | typedef T1 first_type; | 
| 50 | < | typedef T2 second_type; | 
| 51 | < | typedef T3 third_type; | 
| 52 | < |  | 
| 53 | < | T1 first; | 
| 54 | < | T2 second; | 
| 55 | < | T3 third; | 
| 56 | < | tuple3() {} | 
| 57 | < | tuple3(const T1& a, const T2& b, const T3& c) : first(a), second(b), third(c) {} | 
| 58 | < | }; | 
| 59 | < |  | 
| 60 | < | template <class T1, class T2, class T3> | 
| 61 | < | tuple3<T1,T2,T3> make_tuple3( T1 t1, T2 t2, T3 t3 ) { | 
| 62 | < | return tuple3<T1,T2,T3>( t1, t2, t3 ); | 
| 63 | < | } | 
| 64 | < |  | 
| 65 | < |  | 
| 66 | < | template <class T1, class T2, class T3, class T4> | 
| 67 | < | struct tuple4 { | 
| 68 | < | typedef T1 first_type; | 
| 69 | < | typedef T2 second_type; | 
| 70 | < | typedef T3 third_type; | 
| 71 | < | typedef T4 fourth_type; | 
| 72 | < |  | 
| 73 | < | T1 first; | 
| 74 | < | T2 second; | 
| 75 | < | T3 third; | 
| 76 | < | T4 fourth; | 
| 77 | < | tuple4() {} | 
| 78 | < | tuple4(const T1& a, const T2& b, const T3& c, const T4& d) | 
| 79 | < | : first(a), second(b), third(c), fourth(d) {} | 
| 80 | < | }; | 
| 81 | < |  | 
| 82 | < | template <class T1, class T2, class T3, class T4> | 
| 83 | < | tuple4<T1,T2,T3,T4> make_tuple4( T1 t1, T2 t2, T3 t3, T4 t4 ) { | 
| 84 | < | return tuple4<T1,T2,T3,T4>( t1, t2, t3, t4 ); | 
| 85 | < | } | 
| 86 | < |  | 
| 87 | < | } | 
| 88 | < | #endif //UTILS_TUPLE_HPP | 
| 89 | < |  | 
| 1 | > | /* | 
| 2 | > | * Copyright (c) 2005 The University of Notre Dame. All Rights Reserved. | 
| 3 | > | * | 
| 4 | > | * The University of Notre Dame grants you ("Licensee") a | 
| 5 | > | * non-exclusive, royalty free, license to use, modify and | 
| 6 | > | * redistribute this software in source and binary code form, provided | 
| 7 | > | * that the following conditions are met: | 
| 8 | > | * | 
| 9 | > | * 1. Redistributions of source code must retain the above copyright | 
| 10 | > | *    notice, this list of conditions and the following disclaimer. | 
| 11 | > | * | 
| 12 | > | * 2. Redistributions in binary form must reproduce the above copyright | 
| 13 | > | *    notice, this list of conditions and the following disclaimer in the | 
| 14 | > | *    documentation and/or other materials provided with the | 
| 15 | > | *    distribution. | 
| 16 | > | * | 
| 17 | > | * This software is provided "AS IS," without a warranty of any | 
| 18 | > | * kind. All express or implied conditions, representations and | 
| 19 | > | * warranties, including any implied warranty of merchantability, | 
| 20 | > | * fitness for a particular purpose or non-infringement, are hereby | 
| 21 | > | * excluded.  The University of Notre Dame and its licensors shall not | 
| 22 | > | * be liable for any damages suffered by licensee as a result of | 
| 23 | > | * using, modifying or distributing the software or its | 
| 24 | > | * derivatives. In no event will the University of Notre Dame or its | 
| 25 | > | * licensors be liable for any lost revenue, profit or data, or for | 
| 26 | > | * direct, indirect, special, consequential, incidental or punitive | 
| 27 | > | * damages, however caused and regardless of the theory of liability, | 
| 28 | > | * arising out of the use of or inability to use software, even if the | 
| 29 | > | * University of Notre Dame has been advised of the possibility of | 
| 30 | > | * such damages. | 
| 31 | > | * | 
| 32 | > | * SUPPORT OPEN SCIENCE!  If you use OpenMD or its source code in your | 
| 33 | > | * research, please cite the appropriate papers when you publish your | 
| 34 | > | * work.  Good starting points are: | 
| 35 | > | * | 
| 36 | > | * [1]  Meineke, et al., J. Comp. Chem. 26, 252-271 (2005). | 
| 37 | > | * [2]  Fennell & Gezelter, J. Chem. Phys. 124, 234104 (2006). | 
| 38 | > | * [3]  Sun, Lin & Gezelter, J. Chem. Phys. 128, 24107 (2008). | 
| 39 | > | * [4]  Vardeman, Stocker & Gezelter, J. Chem. Theory Comput. 7, 834 (2011). | 
| 40 | > | */ | 
| 41 | > |  | 
| 42 | > | #ifndef UTILS_TUPLE_HPP | 
| 43 | > | #define UTILS_TUPLE_HPP | 
| 44 | > |  | 
| 45 | > | namespace OpenMD { | 
| 46 | > |  | 
| 47 | > | template <class T1, class T2, class T3> | 
| 48 | > | struct tuple3 { | 
| 49 | > | typedef T1 first_type; | 
| 50 | > | typedef T2 second_type; | 
| 51 | > | typedef T3 third_type; | 
| 52 | > |  | 
| 53 | > | T1 first; | 
| 54 | > | T2 second; | 
| 55 | > | T3 third; | 
| 56 | > | tuple3() {} | 
| 57 | > | tuple3(const T1& a, const T2& b, const T3& c) : first(a), second(b), third(c) {} | 
| 58 | > | }; | 
| 59 | > |  | 
| 60 | > | template <class T1, class T2, class T3> | 
| 61 | > | tuple3<T1,T2,T3> make_tuple3( T1 t1, T2 t2, T3 t3 ) { | 
| 62 | > | return tuple3<T1,T2,T3>( t1, t2, t3 ); | 
| 63 | > | } | 
| 64 | > |  | 
| 65 | > |  | 
| 66 | > | template <class T1, class T2, class T3, class T4> | 
| 67 | > | struct tuple4 { | 
| 68 | > | typedef T1 first_type; | 
| 69 | > | typedef T2 second_type; | 
| 70 | > | typedef T3 third_type; | 
| 71 | > | typedef T4 fourth_type; | 
| 72 | > |  | 
| 73 | > | T1 first; | 
| 74 | > | T2 second; | 
| 75 | > | T3 third; | 
| 76 | > | T4 fourth; | 
| 77 | > | tuple4() {} | 
| 78 | > | tuple4(const T1& a, const T2& b, const T3& c, const T4& d) | 
| 79 | > | : first(a), second(b), third(c), fourth(d) {} | 
| 80 | > | }; | 
| 81 | > |  | 
| 82 | > | template <class T1, class T2, class T3, class T4> | 
| 83 | > | tuple4<T1,T2,T3,T4> make_tuple4( T1 t1, T2 t2, T3 t3, T4 t4 ) { | 
| 84 | > | return tuple4<T1,T2,T3,T4>( t1, t2, t3, t4 ); | 
| 85 | > | } | 
| 86 | > |  | 
| 87 | > | template<class T1, class T2, class T3> | 
| 88 | > | inline bool operator < (const tuple3<T1, T2, T3>& t1, const tuple3<T1, T2, T3>& t2) { | 
| 89 | > |  | 
| 90 | > | return t1.first < t2.first | 
| 91 | > | || (!(t2.first < t1.first) && t1.second < t2.second) | 
| 92 | > | || (!(t2.first < t1.first) && !(t2.second < t2.second) && t1.third < t2.third); | 
| 93 | > | } | 
| 94 | > |  | 
| 95 | > |  | 
| 96 | > | inline bool operator < (const tuple3<int, int, std::vector<std::string> >& t1, const tuple3<int, int, std::vector<std::string> >& t2) { | 
| 97 | > |  | 
| 98 | > | if (t1.first < t2.first) | 
| 99 | > | return true; | 
| 100 | > | else { | 
| 101 | > | if (t1.first > t2.first) | 
| 102 | > | return false; | 
| 103 | > |  | 
| 104 | > | if (t1.second < t2.second) | 
| 105 | > | return true; | 
| 106 | > | else | 
| 107 | > | if (t1.second > t2.second) | 
| 108 | > | return false; | 
| 109 | > |  | 
| 110 | > | return true; | 
| 111 | > | } | 
| 112 | > | } | 
| 113 | > |  | 
| 114 | > | template<class T1, class T2, class T3, class T4> | 
| 115 | > | inline bool operator < (const tuple4<T1, T2, T3, T4>& t1, const tuple4<T1, T2, T3, T4>& t2) { | 
| 116 | > |  | 
| 117 | > | return t1.first < t2.first | 
| 118 | > | || (!(t2.first < t1.first) && t1.second < t2.second) | 
| 119 | > | || (!(t2.first < t1.first) && !(t2.second < t2.second) && t1.third < t2.third) | 
| 120 | > | ||(!(t2.first < t1.first) && !(t2.second < t2.second) && !(t2.third < t1.third) && t1.fourth < t2.fourth); | 
| 121 | > | } | 
| 122 | > | typedef tuple3<int, int, int> IntTuple3; | 
| 123 | > | typedef tuple4<int, int, int, int> IntTuple4; | 
| 124 | > |  | 
| 125 | > | } | 
| 126 | > |  | 
| 127 | > |  | 
| 128 | > | #endif //UTILS_TUPLE_HPP | 
| 129 | > |  |