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root/OpenMD/branches/development/src/visitors/AtomVisitor.hpp

Comparing:
trunk/src/visitors/AtomVisitor.hpp (file contents), Revision 247 by tim, Wed Jan 12 23:15:37 2005 UTC vs.
branches/development/src/visitors/AtomVisitor.hpp (file contents), Revision 1873 by gezelter, Fri May 10 16:09:34 2013 UTC

#	Line 1 | Line 1
1	<	/*
1	>	/*
2		* Copyright (c) 2005 The University of Notre Dame. All Rights Reserved.
3		*
4		* The University of Notre Dame grants you ("Licensee") a
#	Line 6 | Line 6
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
9	>	* 1. Redistributions of source code must retain the above copyright
10		*    notice, this list of conditions and the following disclaimer.
11		*
12	<	* 3. Redistributions in binary form must reproduce the above copyright
12	>	* 2. Redistributions in binary form must reproduce the above copyright
13		*    notice, this list of conditions and the following disclaimer in the
14		*    documentation and/or other materials provided with the
15		*    distribution.
#	Line 37 | Line 28
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	+	*
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, 234107 (2008).
39	+	* [4]  Kuang & Gezelter,  J. Chem. Phys. 133, 164101 (2010).
40	+	* [5]  Vardeman, Stocker & Gezelter, J. Chem. Theory Comput. 7, 834 (2011).
41		*/
42
43		#ifndef VISITORS_BASEATOMVISITOR_HPP
#	Line 47 | Line 48
48		#include "visitors/BaseVisitor.hpp"
49		#include "visitors/AtomData.hpp"
50
51	<	namespace oopse {
51	>	namespace OpenMD {
52
53	<	/**
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);
53	>	/**
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	>
65	>	protected:
66	>	BaseAtomVisitor(SimInfo* info);
67	>	SimInfo* info;
68	>	int storageLayout_;
69	>	};
70
71	<	protected:
72	<	BaseAtomVisitor(SimInfo* info) : BaseVisitor() {}
73	<	SimInfo* info;
74	<	};
71	>	class DefaultAtomVisitor : public BaseAtomVisitor{
72	>	public:
73	>	DefaultAtomVisitor(SimInfo* info) : BaseAtomVisitor(info) { visitorName = "DefaultAtomVisitor";}
74	>
75	>	virtual void visit(Atom* atom);
76	>	virtual void visit(DirectionalAtom* datom);
77	>	virtual void visit(RigidBody* rb) {}
78	>
79	>	virtual const std::string toString();
80	>
81	>	};
82
83	<	/**
70	<	* @class SSDAtomVisitor
71	<	* @todo document
72	<	*/
73	<	class SSDAtomVisitor : public BaseAtomVisitor{
74	<	public:
75	<	SSDAtomVisitor(SimInfo* info) : BaseAtomVisitor(info) {
76	<	visitorName = "SSDAtomVisitor";
77	<	ssdAtomType.insert("SSD");
78	<	ssdAtomType.insert("SSD_E");
79	<	ssdAtomType.insert("SSD_RF");
80	<	ssdAtomType.insert("SSD1");
81	<	}
82	<
83	<	virtual void visit(Atom* atom) {}
84	<	virtual void visit(DirectionalAtom* datom);
85	<	virtual void visit(RigidBody* rb) {}
86	<
87	<	virtual const std::string toString();
88	<	private:
89	<	inline bool isSSDAtom(const std::string& atomType);
90	<	std::set<std::string> ssdAtomType;
91	<	};
92	<
93	<	class LinearAtomVisitor : public BaseAtomVisitor{
94	<	public:
95	<	LinearAtomVisitor(SimInfo* info) : BaseAtomVisitor(info) {
96	<	visitorName = "LinearAtomVisitor";
97	<	linearAtomType.insert("linear");
98	<	}
99	<
100	<	virtual void visit(Atom* atom) {}
101	<	virtual void visit(DirectionalAtom* datom);
102	<	virtual void visit(RigidBody* rb) {}
103	<
104	<	virtual const std::string toString();
105	<	private:
106	<	inline bool isLinearAtom(const std::string& atomType);
107	<	std::set<std::string> linearAtomType;
108	<	};
109	<
110	<
111	<
112	<
113	<	class DefaultAtomVisitor : public BaseAtomVisitor{
114	<	public:
115	<	DefaultAtomVisitor(SimInfo* info) : BaseAtomVisitor(info) { visitorName = "DefaultAtomVisitor";}
116	<
117	<	virtual void visit(Atom* atom);
118	<	virtual void visit(DirectionalAtom* datom);
119	<	virtual void visit(RigidBody* rb) {}
120	<
121	<	virtual const std::string toString();
122	<
123	<	};
124	<
125	<	}//namespace oopse
83	>	}//namespace OpenMD
84		#endif

Comparing:
trunk/src/visitors/AtomVisitor.hpp (property svn:keywords), Revision 247 by tim, Wed Jan 12 23:15:37 2005 UTC vs.
branches/development/src/visitors/AtomVisitor.hpp (property svn:keywords), Revision 1873 by gezelter, Fri May 10 16:09:34 2013 UTC

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