src/visitors/AtomVisitor.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, 234107 (2008).          
 * [4]  Kuang & Gezelter,  J. Chem. Phys. 133, 164101 (2010).
 * [5]  Vardeman, Stocker & Gezelter, J. Chem. Theory Comput. 7, 834 (2011).
 */
 
#ifndef VISITORS_BASEATOMVISITOR_HPP
#define VISITORS_BASEATOMVISITOR_HPP

#include <set>

#include "visitors/BaseVisitor.hpp"
#include "visitors/AtomData.hpp"

namespace OpenMD {

  /**
   * @class BaseAtomVisitor
   * @todo document
   */
  class BaseAtomVisitor : public BaseVisitor{
  public:
    virtual void visit(Atom* atom) {}
    virtual void visit(DirectionalAtom* datom) {}
    virtual void visit(RigidBody* rb);
    void setVisited(Atom* atom);
    bool isVisited(Atom* atom);
    
  protected:
    BaseAtomVisitor(SimInfo* info);
    SimInfo* info;
    int storageLayout_;
  };

  class DefaultAtomVisitor : public BaseAtomVisitor{
  public:
    DefaultAtomVisitor(SimInfo* info) : BaseAtomVisitor(info) { visitorName = "DefaultAtomVisitor";}
    
    virtual void visit(Atom* atom);   
    virtual void visit(DirectionalAtom* datom);    
    virtual void visit(RigidBody* rb) {}
    
    virtual const std::string toString();
    
  };

}//namespace OpenMD
#endif
Revision:	1873
Committed:	Fri May 10 16:09:34 2013 UTC (12 years ago) by gezelter
File size:	3162 byte(s)
Log Message:	Fixed a bug when there's no electric field being calculated.
#	User	Rev	Content
1	gezelter	507	/*
2	gezelter	246	* 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	gezelter	246	* notice, this list of conditions and the following disclaimer.
11			*
12	gezelter	1390	* 2. Redistributions in binary form must reproduce the above copyright
13	gezelter	246	* 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	gezelter	1850	* [3] Sun, Lin & Gezelter, J. Chem. Phys. 128, 234107 (2008).
39	gezelter	1665	* [4] Kuang & Gezelter, J. Chem. Phys. 133, 164101 (2010).
40			* [5] Vardeman, Stocker & Gezelter, J. Chem. Theory Comput. 7, 834 (2011).
41	gezelter	246	*/
42
43			#ifndef VISITORS_BASEATOMVISITOR_HPP
44			#define VISITORS_BASEATOMVISITOR_HPP
45	gezelter	2
46	tim	247	#include <set>
47	tim	132
48	tim	3	#include "visitors/BaseVisitor.hpp"
49	tim	132	#include "visitors/AtomData.hpp"
50
51	gezelter	1390	namespace OpenMD {
52	gezelter	2
53	gezelter	507	/**
54			* @class BaseAtomVisitor
55			* @todo document
56			*/
57			class BaseAtomVisitor : public BaseVisitor{
58			public:
59			virtual void visit(Atom* atom) {}
60			virtual void visit(DirectionalAtom* datom) {}
61			virtual void visit(RigidBody* rb);
62			void setVisited(Atom* atom);
63			bool isVisited(Atom* atom);
64	gezelter	1455
65	gezelter	507	protected:
66	gezelter	1873	BaseAtomVisitor(SimInfo* info);
67	gezelter	507	SimInfo* info;
68	gezelter	1873	int storageLayout_;
69	gezelter	507	};
70	gezelter	2
71	gezelter	507	class DefaultAtomVisitor : public BaseAtomVisitor{
72			public:
73			DefaultAtomVisitor(SimInfo* info) : BaseAtomVisitor(info) { visitorName = "DefaultAtomVisitor";}
74	gezelter	1455
75			virtual void visit(Atom* atom);
76	gezelter	507	virtual void visit(DirectionalAtom* datom);
77			virtual void visit(RigidBody* rb) {}
78	gezelter	1455
79	gezelter	507	virtual const std::string toString();
80	gezelter	1455
81	gezelter	507	};
82	tim	132
83	gezelter	1390	}//namespace OpenMD
84	gezelter	2	#endif