--- trunk/src/utils/Tuple.hpp 2005/12/10 16:54:40 808 +++ branches/development/src/utils/Tuple.hpp 2013/05/15 15:09:35 1874 @@ -6,19 +6,10 @@ * redistribute this software in source and binary code form, provided * that the following conditions are met: * - * 1. Acknowledgement of the program authors must be made in any - * publication of scientific results based in part on use of the - * program. An acceptable form of acknowledgement is citation of - * the article in which the program was described (Matthew - * A. Meineke, Charles F. Vardeman II, Teng Lin, Christopher - * J. Fennell and J. Daniel Gezelter, "OOPSE: An Object-Oriented - * Parallel Simulation Engine for Molecular Dynamics," - * J. Comput. Chem. 26, pp. 252-271 (2005)) - * - * 2. Redistributions of source code must retain the above copyright + * 1. Redistributions of source code must retain the above copyright * notice, this list of conditions and the following disclaimer. * - * 3. Redistributions in binary form must reproduce the above copyright + * 2. Redistributions in binary form must reproduce the above copyright * notice, this list of conditions and the following disclaimer in the * documentation and/or other materials provided with the * distribution. @@ -37,12 +28,21 @@ * arising out of the use of or inability to use software, even if the * University of Notre Dame has been advised of the possibility of * such damages. + * + * SUPPORT OPEN SCIENCE! If you use OpenMD or its source code in your + * research, please cite the appropriate papers when you publish your + * work. Good starting points are: + * + * [1] Meineke, et al., J. Comp. Chem. 26, 252-271 (2005). + * [2] Fennell & Gezelter, J. Chem. Phys. 124, 234104 (2006). + * [3] Sun, Lin & Gezelter, J. Chem. Phys. 128, 234107 (2008). + * [4] Vardeman, Stocker & Gezelter, J. Chem. Theory Comput. 7, 834 (2011). */ #ifndef UTILS_TUPLE_HPP #define UTILS_TUPLE_HPP -namespace oopse { +namespace OpenMD { template struct tuple3 { @@ -83,28 +83,47 @@ namespace oopse { tuple4 make_tuple4( T1 t1, T2 t2, T3 t3, T4 t4 ) { return tuple4( t1, t2, t3, t4 ); } + + template + inline bool operator < (const tuple3& t1, const tuple3& t2) { + + return t1.first < t2.first + || (!(t2.first < t1.first) && t1.second < t2.second) + || (!(t2.first < t1.first) && !(t2.second < t1.second) && t1.third < t2.third); + } + + + inline bool operator < (const tuple3 >& t1, const tuple3 >& t2) { + + if (t1.first < t2.first) + return true; + else { + if (t1.first > t2.first) + return false; + + if (t1.second < t2.second) + return true; + else + if (t1.second > t2.second) + return false; + + return true; + } + } -template -inline bool operator < (const tuple3& t1, const tuple3& t2) { + template + inline bool operator < (const tuple4& t1, const tuple4& t2) { + + return t1.first < t2.first + || (!(t2.first < t1.first) && t1.second < t2.second) + || (!(t2.first < t1.first) && !(t2.second < t1.second) && t1.third < t2.third) + || (!(t2.first < t1.first) && !(t2.second < t1.second) && !(t2.third < t1.third) && t1.fourth < t2.fourth); + } + typedef tuple3 IntTuple3; + typedef tuple4 IntTuple4; - return t1.first < t2.first - || (!(t2.first < t1.first) && t1.second < t2.second) - || (!(t2.first < t1.first) && !(t2.second < t2.second) && t1.third < t2.third); } -template -inline bool operator < (const tuple4& t1, const tuple4& t2) { - return t1.first < t2.first - || (!(t2.first < t1.first) && t1.second < t2.second) - || (!(t2.first < t1.first) && !(t2.second < t2.second) && t1.third < t2.third) - ||(!(t2.first < t1.first) && !(t2.second < t2.second) && !(t2.third < t1.third) && t1.fourth < t2.fourth); -} -typedef tuple3 IntTuple3; -typedef tuple4 IntTuple4; - -} - - #endif //UTILS_TUPLE_HPP