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Comparing:
trunk/src/visitors/AtomVisitor.hpp (file contents), Revision 1008 by chrisfen, Wed Jul 19 12:35:31 2006 UTC vs.
branches/development/src/visitors/AtomVisitor.hpp (file contents), Revision 1465 by chuckv, Fri Jul 9 23:08:25 2010 UTC

#	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, 24107 (2008).
39	+	* [4]  Vardeman & Gezelter, in progress (2009).
40		*/
41
42		#ifndef VISITORS_BASEATOMVISITOR_HPP
#	Line 47 | Line 47
47		#include "visitors/BaseVisitor.hpp"
48		#include "visitors/AtomData.hpp"
49
50	<	namespace oopse {
50	>	namespace OpenMD {
51
52		/**
53		* @class BaseAtomVisitor
#	Line 60 | Line 60 | namespace oopse {
60		virtual void visit(RigidBody* rb);
61		void setVisited(Atom* atom);
62		bool isVisited(Atom* atom);
63	<
63	>
64		protected:
65		BaseAtomVisitor(SimInfo* info) : BaseVisitor() {}
66		SimInfo* info;
67		};
68
69	–	/**
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	–	ssdAtomType.insert("TAP");
82	–	}
83	–
84	–	virtual void visit(Atom* atom) {}
85	–	virtual void visit(DirectionalAtom* datom);
86	–	virtual void visit(RigidBody* rb) {}
87	–
88	–	virtual const std::string toString();
89	–	private:
90	–	inline bool isSSDAtom(const std::string& atomType);
91	–	std::set<std::string> ssdAtomType;
92	–	};
93	–
94	–	class TREDAtomVisitor : public BaseAtomVisitor{
95	–	public:
96	–	TREDAtomVisitor(SimInfo* info) : BaseAtomVisitor(info) {
97	–	visitorName = "TREDAtomVisitor";
98	–	tredAtomType.insert("TRED");
99	–	}
100	–
101	–	virtual void visit(Atom* atom) {}
102	–	virtual void visit(DirectionalAtom* datom);
103	–	virtual void visit(RigidBody* rb) {}
104	–
105	–	virtual const std::string toString();
106	–	private:
107	–	inline bool isTREDAtom(const std::string& atomType);
108	–	std::set<std::string> tredAtomType;
109	–	};
110	–
111	–	class LinearAtomVisitor : public BaseAtomVisitor{
112	–	public:
113	–	LinearAtomVisitor(SimInfo* info) : BaseAtomVisitor(info) {
114	–	visitorName = "LinearAtomVisitor";
115	–	linearAtomType.insert("GBlinear");
116	–	}
117	–
118	–	void addGayBerneAtomType(const std::string& atomType);
119	–	virtual void visit(Atom* atom) {}
120	–	virtual void visit(DirectionalAtom* datom);
121	–	virtual void visit(RigidBody* rb) {}
122	–
123	–	virtual const std::string toString();
124	–	private:
125	–	inline bool isLinearAtom(const std::string& atomType);
126	–	std::set<std::string> linearAtomType;
127	–	};
128	–
129	–	class GBLipidAtomVisitor : public BaseAtomVisitor{
130	–	public:
131	–	GBLipidAtomVisitor(SimInfo* info) : BaseAtomVisitor(info) {
132	–	visitorName = "GBLipidAtomVisitor";
133	–	GBLipidAtomType.insert("GBlipid");
134	–	}
135	–
136	–	virtual void visit(Atom* atom) {}
137	–	virtual void visit(DirectionalAtom* datom);
138	–	virtual void visit(RigidBody* rb) {}
139	–
140	–	virtual const std::string toString();
141	–	private:
142	–	inline bool isGBLipidAtom(const std::string& atomType);
143	–	std::set<std::string> GBLipidAtomType;
144	–	};
145	–
146	–
69		class DefaultAtomVisitor : public BaseAtomVisitor{
70		public:
71		DefaultAtomVisitor(SimInfo* info) : BaseAtomVisitor(info) { visitorName = "DefaultAtomVisitor";}
72	<
73	<	virtual void visit(Atom* atom);
72	>
73	>	virtual void visit(Atom* atom);
74		virtual void visit(DirectionalAtom* datom);
75		virtual void visit(RigidBody* rb) {}
76	<
76	>
77		virtual const std::string toString();
78	<
78	>
79		};
80
81	<	}//namespace oopse
81	>	}//namespace OpenMD
82		#endif

Comparing:
trunk/src/visitors/AtomVisitor.hpp (property svn:keywords), Revision 1008 by chrisfen, Wed Jul 19 12:35:31 2006 UTC vs.
branches/development/src/visitors/AtomVisitor.hpp (property svn:keywords), Revision 1465 by chuckv, Fri Jul 9 23:08:25 2010 UTC

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