src/visitors/RigidBodyVisitor.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 VISITORS_RIGIDBODYVISITOR_HPP
#define VISITORS_RIGIDBODYVISITOR_HPP
#include <iostream>
#include <set>
#include <string>
#include "visitors/BaseVisitor.hpp"
#include "visitors/AtomData.hpp"


namespace OpenMD {
    
  class BaseRigidBodyVisitor: public BaseVisitor{
  public:

  protected:
    BaseRigidBodyVisitor(SimInfo* info) : BaseVisitor(){ this->info = info;}

    SimInfo* info;
  };


  //LipidHeadVisitor  adds a pesudo atom into rigidbody which holds a dipole moment
  class LipidHeadVisitor : public BaseRigidBodyVisitor{
  public:
    LipidHeadVisitor(SimInfo* info) : BaseRigidBodyVisitor(info){ 
      visitorName = "LipidHeadVisitor";
    }

    virtual void visit(Atom* atom) {}
    virtual void visit(DirectionalAtom* datom) {}
    virtual void visit(RigidBody* rb);
    
    void addLipidHeadName(const std::string& name);
    virtual const  std::string toString();
    
  protected:
    bool canVisit(const std::string& name);

    std::set<std::string> lipidHeadName;
  };

  class RBCOMVisitor : public BaseRigidBodyVisitor{
  public:
    RBCOMVisitor(SimInfo* info) : BaseRigidBodyVisitor(info){ visitorName = "RBCOMVisitor";}

    virtual void visit(Atom* atom) {}
    virtual void visit(DirectionalAtom* datom) {}
    virtual void visit(RigidBody* rb);

    virtual const  std::string toString();
  };

}//namespace OpenMD
#endif
Revision:	1442
Committed:	Mon May 10 17:28:26 2010 UTC (15 years ago) by gezelter
Original Path:	*trunk/src/visitors/RigidBodyVisitor.hpp*
File size:	3481 byte(s)
Log Message:	Adding property set to svn entries
#	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			* [3] Sun, Lin & Gezelter, J. Chem. Phys. 128, 24107 (2008).
39			* [4] Vardeman & Gezelter, in progress (2009).
40	gezelter	246	*/
41
42			#ifndef VISITORS_RIGIDBODYVISITOR_HPP
43			#define VISITORS_RIGIDBODYVISITOR_HPP
44	gezelter	2	#include <iostream>
45			#include <set>
46			#include <string>
47	tim	3	#include "visitors/BaseVisitor.hpp"
48	tim	132	#include "visitors/AtomData.hpp"
49	gezelter	2
50
51	gezelter	246
52	gezelter	1390	namespace OpenMD {
53	tim	132
54	gezelter	507	class BaseRigidBodyVisitor: public BaseVisitor{
55	gezelter	2	public:
56
57			protected:
58	gezelter	507	BaseRigidBodyVisitor(SimInfo* info) : BaseVisitor(){ this->info = info;}
59	gezelter	2
60	gezelter	507	SimInfo* info;
61			};
62	gezelter	2
63
64	gezelter	507	//LipidHeadVisitor adds a pesudo atom into rigidbody which holds a dipole moment
65			class LipidHeadVisitor : public BaseRigidBodyVisitor{
66	gezelter	2	public:
67	chrisfen	1008	LipidHeadVisitor(SimInfo* info) : BaseRigidBodyVisitor(info){
68			visitorName = "LipidHeadVisitor";
69			}
70	gezelter	2
71			virtual void visit(Atom* atom) {}
72			virtual void visit(DirectionalAtom* datom) {}
73			virtual void visit(RigidBody* rb);
74
75	gezelter	246	void addLipidHeadName(const std::string& name);
76			virtual const std::string toString();
77	gezelter	2
78			protected:
79	gezelter	507	bool canVisit(const std::string& name);
80	gezelter	2
81	gezelter	507	std::set<std::string> lipidHeadName;
82			};
83	gezelter	2
84	gezelter	507	class RBCOMVisitor : public BaseRigidBodyVisitor{
85	gezelter	2	public:
86			RBCOMVisitor(SimInfo* info) : BaseRigidBodyVisitor(info){ visitorName = "RBCOMVisitor";}
87
88			virtual void visit(Atom* atom) {}
89			virtual void visit(DirectionalAtom* datom) {}
90			virtual void visit(RigidBody* rb);
91
92	gezelter	246	virtual const std::string toString();
93	gezelter	507	};
94	tim	132
95	gezelter	1390	}//namespace OpenMD
96	gezelter	2	#endif