| 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 | 
| 9 | > | * 1. Redistributions of source code must retain the above copyright | 
| 10 |  | *    notice, this list of conditions and the following disclaimer. | 
| 11 |  | * | 
| 12 | < | * 3. Redistributions in binary form must reproduce the above copyright | 
| 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. | 
| 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, 234107 (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 oopse { | 
| 45 | > | namespace OpenMD { | 
| 46 |  |  | 
| 47 |  | template <class T1, class T2, class T3> | 
| 48 |  | struct tuple3 { | 
| 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) { | 
| 86 |  |  | 
| 87 | < | if (t1.first < t2.first) | 
| 88 | < | return true; | 
| 100 | < | else { | 
| 101 | < | if (t1.first > t2.first) | 
| 102 | < | return false; | 
| 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 | < | if (t1.second < t2.second) | 
| 90 | > | return t1.first < t2.first | 
| 91 | > | || (!(t2.first < t1.first) && t1.second < t2.second) | 
| 92 | > | || (!(t2.first < t1.first) && !(t2.second < t1.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.second > t2.second) | 
| 102 | < | return false; | 
| 100 | > | else { | 
| 101 | > | if (t1.first > t2.first) | 
| 102 | > | return false; | 
| 103 |  |  | 
| 104 | < | return true; | 
| 105 | < | } | 
| 106 | < | } | 
| 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) { | 
| 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 < t1.second) && t1.third < t2.third) | 
| 120 | > | || (!(t2.first < t1.first) && !(t2.second < t1.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 |  |  | 
| 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); | 
| 125 |  | } | 
| 122 | – | typedef tuple3<int, int, int> IntTuple3; | 
| 123 | – | typedef tuple4<int, int, int, int> IntTuple4; | 
| 126 |  |  | 
| 125 | – | } | 
| 127 |  |  | 
| 127 | – |  | 
| 128 |  | #endif //UTILS_TUPLE_HPP | 
| 129 |  |  |