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, 234107 (2008).          
 * [4]  Kuang & Gezelter,  J. Chem. Phys. 133, 164101 (2010).
 * [5]  Vardeman, Stocker & Gezelter, J. Chem. Theory Comput. 7, 834 (2011).
 */
 
#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:	1850
Committed:	Wed Feb 20 15:39:39 2013 UTC (12 years, 2 months ago) by gezelter
File size:	3548 byte(s)
Log Message:	Fixed a widespread typo in the license
#	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_RIGIDBODYVISITOR_HPP
44			#define VISITORS_RIGIDBODYVISITOR_HPP
45	gezelter	2	#include <iostream>
46			#include <set>
47			#include <string>
48	tim	3	#include "visitors/BaseVisitor.hpp"
49	tim	132	#include "visitors/AtomData.hpp"
50	gezelter	2
51
52	gezelter	246
53	gezelter	1390	namespace OpenMD {
54	tim	132
55	gezelter	507	class BaseRigidBodyVisitor: public BaseVisitor{
56	gezelter	2	public:
57
58			protected:
59	gezelter	507	BaseRigidBodyVisitor(SimInfo* info) : BaseVisitor(){ this->info = info;}
60	gezelter	2
61	gezelter	507	SimInfo* info;
62			};
63	gezelter	2
64
65	gezelter	507	//LipidHeadVisitor adds a pesudo atom into rigidbody which holds a dipole moment
66			class LipidHeadVisitor : public BaseRigidBodyVisitor{
67	gezelter	2	public:
68	chrisfen	1008	LipidHeadVisitor(SimInfo* info) : BaseRigidBodyVisitor(info){
69			visitorName = "LipidHeadVisitor";
70			}
71	gezelter	2
72			virtual void visit(Atom* atom) {}
73			virtual void visit(DirectionalAtom* datom) {}
74			virtual void visit(RigidBody* rb);
75
76	gezelter	246	void addLipidHeadName(const std::string& name);
77			virtual const std::string toString();
78	gezelter	2
79			protected:
80	gezelter	507	bool canVisit(const std::string& name);
81	gezelter	2
82	gezelter	507	std::set<std::string> lipidHeadName;
83			};
84	gezelter	2
85	gezelter	507	class RBCOMVisitor : public BaseRigidBodyVisitor{
86	gezelter	2	public:
87			RBCOMVisitor(SimInfo* info) : BaseRigidBodyVisitor(info){ visitorName = "RBCOMVisitor";}
88
89			virtual void visit(Atom* atom) {}
90			virtual void visit(DirectionalAtom* datom) {}
91			virtual void visit(RigidBody* rb);
92
93	gezelter	246	virtual const std::string toString();
94	gezelter	507	};
95	tim	132
96	gezelter	1390	}//namespace OpenMD
97	gezelter	2	#endif