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* redistribute this software in source and binary code form, provided |
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* that the following conditions are met: |
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* |
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* 1. Acknowledgement of the program authors must be made in any |
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* publication of scientific results based in part on use of the |
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* program. An acceptable form of acknowledgement is citation of |
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* the article in which the program was described (Matthew |
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* A. Meineke, Charles F. Vardeman II, Teng Lin, Christopher |
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* J. Fennell and J. Daniel Gezelter, "OOPSE: An Object-Oriented |
| 15 |
< |
* Parallel Simulation Engine for Molecular Dynamics," |
| 16 |
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* J. Comput. Chem. 26, pp. 252-271 (2005)) |
| 17 |
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* |
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* 2. Redistributions of source code must retain the above copyright |
| 9 |
> |
* 1. Redistributions of source code must retain the above copyright |
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|
* notice, this list of conditions and the following disclaimer. |
| 11 |
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* |
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* 3. Redistributions in binary form must reproduce the above copyright |
| 12 |
> |
* 2. Redistributions in binary form must reproduce the above copyright |
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* notice, this list of conditions and the following disclaimer in the |
| 14 |
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* documentation and/or other materials provided with the |
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* distribution. |
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* arising out of the use of or inability to use software, even if the |
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* University of Notre Dame has been advised of the possibility of |
| 30 |
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* such damages. |
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* |
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* SUPPORT OPEN SCIENCE! If you use OpenMD or its source code in your |
| 33 |
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* research, please cite the appropriate papers when you publish your |
| 34 |
+ |
* work. Good starting points are: |
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* |
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* [1] Meineke, et al., J. Comp. Chem. 26, 252-271 (2005). |
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* [2] Fennell & Gezelter, J. Chem. Phys. 124, 234104 (2006). |
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+ |
* [3] Sun, Lin & Gezelter, J. Chem. Phys. 128, 234107 (2008). |
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+ |
* [4] Kuang & Gezelter, J. Chem. Phys. 133, 164101 (2010). |
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* [5] Vardeman, Stocker & Gezelter, J. Chem. Theory Comput. 7, 834 (2011). |
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*/ |
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|
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/** |
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#include <vector> |
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#include <iterator> |
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#include <iostream> |
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< |
namespace oopse { |
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> |
namespace OpenMD { |
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|
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/** |
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* @brief STL next_permuationtation like combination sequence generator. |
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> |
* @brief STL next_permuation-like combination sequence generator. |
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* Given the first and last iterator of a sequence, next_combination iteratively generates all |
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* possible combinations. |
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* @return if more combination is availiable, otherwise return false |
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//For instance, sequence may contain 6, 7, 8, 9 at this time, we need to increase the size |
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// of combination to 5 |
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typename std::vector<RandomAccessIterator>::iterator j = i; |
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j--; |
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> |
--j; |
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while( j >= iterContainer.begin() && *i == *j + 1){ |
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i--; |
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< |
j--; |
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> |
--i; |
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> |
--j; |
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}; |
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|
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RandomAccessIterator raIter; |
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} |
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} //end next_combination |
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|
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} //end namespace oopse |
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> |
} //end namespace OpenMD |
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#endif //UTILS_NEXT_COMBINATION_HPP |
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|