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root/group/trunk/OOPSE-2.0/src/selection/NameFinder.hpp
Revision: 1987
Committed: Mon Feb 7 22:36:32 2005 UTC (19 years, 4 months ago) by tim
File size: 3356 byte(s)
Log Message:
support select internal index selection, for example, select DMPC.3

File Contents

# Content
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 #ifndef SELECTION_NAMEFINDER_HPP
42 #define SELECTION_NAMEFINDER_HPP
43 #include <set>
44 #include <string>
45 #include <map>
46 #include "brains/SimInfo.hpp"
47 #include "utils/BitSet.hpp"
48 namespace oopse {
49
50 class TreeNode{
51 public:
52 ~TreeNode();
53 std::string name;
54 BitSet bs;
55 std::map<std::string, TreeNode*> children;
56 };
57
58 class NameFinder{
59 public:
60 NameFinder(SimInfo* info);
61 ~NameFinder();
62 BitSet match(const std::string& name);
63
64 private:
65 void loadNames();
66 void matchMolecule(const std::string& molName, BitSet& bs);
67 void matchStuntDouble(const std::string& molName, const std::string& sdName, BitSet& bs);
68 void matchRigidAtoms(const std::string& molName, const std::string& rbName, const std::string& rbAtomName, BitSet& bs);
69
70 void matchInternalIndex(const std::string& name, int internalIndex, BitSet& bs);
71
72 TreeNode* createNode(TreeNode* parent, const std::string& name);
73 std::vector<TreeNode*> getMatchedChildren(TreeNode* node, const std::string& name);
74 bool isMatched(const std::string& str, const std::string& wildcard);
75
76 bool isInteger(const std::string str);
77
78 SimInfo* info_;
79 int nStuntDouble_;
80 TreeNode* root_;
81 };
82
83
84 }
85 #endif

Properties

Name Value
svn:executable *