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

Comparing:
trunk/src/visitors/AtomVisitor.hpp (file contents), Revision 1390 by gezelter, Wed Nov 25 20:02:06 2009 UTC vs.
branches/development/src/visitors/AtomVisitor.hpp (file contents), Revision 1873 by gezelter, Fri May 10 16:09:34 2013 UTC

#	Line 35 | Line 35
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).
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 60 | Line 61 | namespace OpenMD {
61		virtual void visit(RigidBody* rb);
62		void setVisited(Atom* atom);
63		bool isVisited(Atom* atom);
64	<
64	>
65		protected:
66	<	BaseAtomVisitor(SimInfo* info) : BaseVisitor() {}
66	>	BaseAtomVisitor(SimInfo* info);
67		SimInfo* info;
68	+	int storageLayout_;
69		};
70
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	–	class Ring5gbAtomVisitor : public BaseAtomVisitor{
147	–	public:
148	–	Ring5gbAtomVisitor(SimInfo* info) : BaseAtomVisitor(info) {
149	–	visitorName = "Ring5gbAtomVisitor";
150	–	Ring5gbAtomType.insert("Ring5GB");
151	–	}
152	–
153	–	virtual void visit(Atom* atom) {}
154	–	virtual void visit(DirectionalAtom* datom);
155	–	virtual void visit(RigidBody* rb) {}
156	–
157	–	virtual const std::string toString();
158	–	private:
159	–	inline bool isRing5gbAtom(const std::string& atomType);
160	–	std::set<std::string> Ring5gbAtomType;
161	–	};
162	–
163	–	class HeadAtomVisitor : public BaseAtomVisitor{
164	–	public:
165	–	HeadAtomVisitor(SimInfo* info) : BaseAtomVisitor(info) {
166	–	visitorName = "HeadAtomVisitor";
167	–	HeadAtomType.insert("HEAD");
168	–	}
169	–
170	–	virtual void visit(Atom* atom) {}
171	–	virtual void visit(DirectionalAtom* datom);
172	–	virtual void visit(RigidBody* rb) {}
173	–
174	–	virtual const std::string toString();
175	–	private:
176	–	inline bool isHeadAtom(const std::string& atomType);
177	–	std::set<std::string> HeadAtomType;
178	–	};
179	–
71		class DefaultAtomVisitor : public BaseAtomVisitor{
72		public:
73		DefaultAtomVisitor(SimInfo* info) : BaseAtomVisitor(info) { visitorName = "DefaultAtomVisitor";}
74	<
75	<	virtual void visit(Atom* atom);
74	>
75	>	virtual void visit(Atom* atom);
76		virtual void visit(DirectionalAtom* datom);
77		virtual void visit(RigidBody* rb) {}
78	<
78	>
79		virtual const std::string toString();
80	<
80	>
81		};
82
83		}//namespace OpenMD

Comparing:
trunk/src/visitors/AtomVisitor.hpp (property svn:keywords), Revision 1390 by gezelter, Wed Nov 25 20:02:06 2009 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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