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1 | < | /* |
1 | > | /* |
2 | * Copyright (c) 2005 The University of Notre Dame. All Rights Reserved. | |
3 | * | |
4 | * The University of Notre Dame grants you ("Licensee") a | |
# | Line 6 | Line 6 | |
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. | |
# | Line 37 | Line 28 | |
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 & Gezelter, in progress (2009). |
40 | */ | |
41 | ||
42 | ||
43 | #include "utils/Utility.hpp" | |
44 | ||
45 | < | namespace oopse { |
45 | > | namespace OpenMD { |
46 | ||
47 | < | bool replaceWithWildCard(std::vector<std::vector<std::string>::iterator>& cont, |
48 | < | std::vector<std::string>& sequence, std::vector<std::string>& result, const std::string& wildCard) { |
47 | > | bool replaceWithWildCard(std::vector<std::vector<std::string>::iterator>& cont, |
48 | > | std::vector<std::string>& sequence, std::vector<std::string>& result, const std::string& wildCard) { |
49 | if (cont.size() > sequence.size()) { | |
50 | < | std::cerr << "the size of iterator container is greater than the size of sequence"; |
50 | > | std::cerr << "the size of iterator container is greater than the size of sequence"; |
51 | } | |
52 | ||
53 | bool hasMoreCombination = next_combination(cont, sequence.begin(), sequence.end()); | |
54 | if (hasMoreCombination) { | |
55 | < | result.clear(); |
56 | < | result.insert(result.begin(), sequence.size(), wildCard); |
57 | < | std::vector<std::vector<std::string>::iterator>::iterator i; |
58 | < | for ( i = cont.begin(); i != cont.end(); i++){ |
59 | < | result[*i - sequence.begin()] = **i; |
60 | < | } |
55 | > | result.clear(); |
56 | > | result.insert(result.begin(), sequence.size(), wildCard); |
57 | > | std::vector<std::vector<std::string>::iterator>::iterator i; |
58 | > | for ( i = cont.begin(); i != cont.end(); i++){ |
59 | > | result[*i - sequence.begin()] = **i; |
60 | > | } |
61 | } | |
62 | ||
63 | < | return hasMoreCombination; |
63 | > | return hasMoreCombination; |
64 | ||
65 | < | }//end replaceWildCard |
65 | > | }//end replaceWildCard |
66 | ||
67 | } |
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