src/selection/NameFinder.hpp

/*
 * Copyright (c) 2005 The University of Notre Dame. All Rights Reserved.
 *
 * The University of Notre Dame grants you ("Licensee") a
 * non-exclusive, royalty free, license to use, modify and
 * redistribute this software in source and binary code form, provided
 * that the following conditions are met:
 *
 * 1. Redistributions of source code must retain the above copyright
 *    notice, this list of conditions and the following disclaimer.
 *
 * 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.
 *
 * This software is provided "AS IS," without a warranty of any
 * kind. All express or implied conditions, representations and
 * warranties, including any implied warranty of merchantability,
 * fitness for a particular purpose or non-infringement, are hereby
 * excluded.  The University of Notre Dame and its licensors shall not
 * be liable for any damages suffered by licensee as a result of
 * using, modifying or distributing the software or its
 * derivatives. In no event will the University of Notre Dame or its
 * licensors be liable for any lost revenue, profit or data, or for
 * direct, indirect, special, consequential, incidental or punitive
 * damages, however caused and regardless of the theory of liability,
 * 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, 24107 (2008).          
 * [4]  Vardeman & Gezelter, in progress (2009).                        
 */
#ifndef SELECTION_NAMEFINDER_HPP
#define SELECTION_NAMEFINDER_HPP
#include <set>
#include <string>
#include <map>
#include "brains/SimInfo.hpp"
#include "utils/OpenMDBitSet.hpp"
namespace OpenMD {

  class TreeNode{
  public:
    ~TreeNode();
    std::string name;
    OpenMDBitSet bs;
    std::map<std::string, TreeNode*> children;
  };

  class NameFinder{
  public:
    NameFinder(SimInfo* info);
    ~NameFinder();
    OpenMDBitSet  match(const std::string& name);

  private:
    void loadNames();
    void matchMolecule(const std::string& molName, OpenMDBitSet& bs);
    void matchStuntDouble(const std::string& molName, const std::string& sdName, OpenMDBitSet& bs);
    void matchRigidAtoms(const std::string& molName, const std::string& rbName, const std::string& rbAtomName, OpenMDBitSet& bs);

    void matchInternalIndex(const std::string& name, int internalIndex, OpenMDBitSet& bs);

    TreeNode* createNode(TreeNode* parent, const std::string& name);
    std::vector<TreeNode*> getMatchedChildren(TreeNode* node, const std::string& name);
    bool isMatched(const std::string& str, const std::string& wildcard);

    bool isInteger(const std::string str);

    SimInfo* info_;
    int nStuntDouble_;
    TreeNode* root_;
  };


}
#endif
Revision:	1442
Committed:	Mon May 10 17:28:26 2010 UTC (14 years, 11 months ago) by gezelter
Original Path:	*trunk/src/selection/NameFinder.hpp*
File size:	3366 byte(s)
Log Message:	Adding property set to svn entries
#	User	Rev	Content
1	tim	283	/*
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	gezelter	1390	* 1. Redistributions of source code must retain the above copyright
10	tim	283	* notice, this list of conditions and the following disclaimer.
11			*
12	gezelter	1390	* 2. Redistributions in binary form must reproduce the above copyright
13	tim	283	* notice, this list of conditions and the following disclaimer in the
14			* documentation and/or other materials provided with the
15			* distribution.
16			*
17			* This software is provided "AS IS," without a warranty of any
18			* kind. All express or implied conditions, representations and
19			* warranties, including any implied warranty of merchantability,
20			* fitness for a particular purpose or non-infringement, are hereby
21			* excluded. The University of Notre Dame and its licensors shall not
22			* be liable for any damages suffered by licensee as a result of
23			* using, modifying or distributing the software or its
24			* derivatives. In no event will the University of Notre Dame or its
25			* licensors be liable for any lost revenue, profit or data, or for
26			* direct, indirect, special, consequential, incidental or punitive
27			* damages, however caused and regardless of the theory of liability,
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	gezelter	1390	*
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	tim	283	*/
41			#ifndef SELECTION_NAMEFINDER_HPP
42			#define SELECTION_NAMEFINDER_HPP
43			#include <set>
44			#include <string>
45	tim	284	#include <map>
46	tim	287	#include "brains/SimInfo.hpp"
47	gezelter	1390	#include "utils/OpenMDBitSet.hpp"
48			namespace OpenMD {
49	tim	283
50	gezelter	507	class TreeNode{
51			public:
52			~TreeNode();
53			std::string name;
54	gezelter	1390	OpenMDBitSet bs;
55	gezelter	507	std::map<std::string, TreeNode*> children;
56			};
57	tim	283
58	gezelter	507	class NameFinder{
59			public:
60			NameFinder(SimInfo* info);
61			~NameFinder();
62	gezelter	1390	OpenMDBitSet match(const std::string& name);
63	tim	283
64	gezelter	507	private:
65			void loadNames();
66	gezelter	1390	void matchMolecule(const std::string& molName, OpenMDBitSet& bs);
67			void matchStuntDouble(const std::string& molName, const std::string& sdName, OpenMDBitSet& bs);
68			void matchRigidAtoms(const std::string& molName, const std::string& rbName, const std::string& rbAtomName, OpenMDBitSet& bs);
69	tim	284
70	gezelter	1390	void matchInternalIndex(const std::string& name, int internalIndex, OpenMDBitSet& bs);
71	tim	303
72	gezelter	507	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	tim	284
76	gezelter	507	bool isInteger(const std::string str);
77	tim	303
78	gezelter	507	SimInfo* info_;
79			int nStuntDouble_;
80			TreeNode* root_;
81			};
82	tim	283
83	tim	284
84	tim	283	}
85			#endif