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

Comparing:
trunk/src/visitors/OtherVisitor.hpp (file contents), Revision 413 by tim, Wed Mar 9 17:30:29 2005 UTC vs.
branches/development/src/visitors/OtherVisitor.hpp (file contents), Revision 1465 by chuckv, Fri Jul 9 23:08:25 2010 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, 24107 (2008).
39	+	* [4]  Vardeman & Gezelter, in progress (2009).
40		*/
41
42		#ifndef VISITORS_OTHERVISITOR_HPP
#	Line 51 | Line 51
51		#include "selection/SelectionManager.hpp"
52		#include "selection/SelectionEvaluator.hpp"
53
54	<	namespace oopse {
54	>	namespace OpenMD {
55
56	<	class SimInfo;
56	>	class SimInfo;
57
58
59	<	class WrappingVisitor : public BaseVisitor{
59	>	class WrappingVisitor : public BaseVisitor{
60		public:
61	<	WrappingVisitor(SimInfo* info) : BaseVisitor() {
61	>	WrappingVisitor(SimInfo* info, bool useCom = true) : BaseVisitor(), useCom_(useCom) {
62		this->info = info;
63		visitorName = "WrappingVisitor";
64		}
#	Line 68 | Line 68 | class WrappingVisitor : public BaseVisitor{
68
69		virtual const std::string toString();
70
71	<	protected:
71	>	virtual void update();
72	>
73	>	private:
74		void internalVisit(StuntDouble* sd);
75	<	SimInfo* info;
76	<	};
75	>	SimInfo* info;
76	>	Vector3d origin_;
77	>	bool useCom_;
78	>	};
79
80
81	<	class ReplicateVisitor : public BaseVisitor{
81	>	class ReplicateVisitor : public BaseVisitor{
82		public:
83		ReplicateVisitor(SimInfo* info, Vector3i opt);
84		virtual void visit(Atom* atom);
#	Line 90 | Line 94 | class ReplicateVisitor : public BaseVisitor{
94		std::vector<Vector3i> dir;
95		SimInfo* info;
96		Vector3i replicateOpt;
97	<	};
97	>	};
98
99	<	class XYZVisitor : public BaseVisitor{
99	>	class XYZVisitor : public BaseVisitor{
100		public:
101
102		XYZVisitor(SimInfo* info);
#	Line 109 | Line 113 | class XYZVisitor : public BaseVisitor{
113
114		void writeFrame(std::ostream& outStream);
115		void clear() {frame.clear();}
116	<
116	>	void doPositions(bool pos) {doPositions_  = pos;}
117	>	void doVelocities(bool vel){doVelocities_ = vel;}
118	>	void doForces(bool frc)    {doForces_     = frc;}
119	>	void doVectors(bool vec)   {doVectors_    = vec;}
120	>	void doCharges(bool chg)   {doCharges_    = chg;}
121	>
122		protected:
123		void internalVisit(StuntDouble* sd);
124		bool isSelected(StuntDouble* sd);
125
126		private:
127	+	std::string trimmedName(const std::string& atomType);
128	+
129		SimInfo* info;
130		SelectionManager seleMan;
131		SelectionEvaluator evaluator;
132		std::vector<std::string> frame;
133	+	bool doPositions_;
134	+	bool doVelocities_;
135	+	bool doForces_;
136	+	bool doVectors_;
137	+	bool doCharges_;
138	+	};
139
123	–	};
140
141	<
126	<	class PrepareVisitor : public BaseVisitor{
141	>	class PrepareVisitor : public BaseVisitor{
142		public:
143		PrepareVisitor() : BaseVisitor() {visitorName = "prepareVisitor";}
144
#	Line 136 | Line 151 | class PrepareVisitor : public BaseVisitor{
151		protected:
152		void internalVisit(Atom* atom);
153		void internalVisit(RigidBody* rb);
154	<	};
154	>	};
155
156		class WaterTypeVisitor : public BaseVisitor{
157		public:
#	Line 151 | Line 166 | class PrepareVisitor : public BaseVisitor{
166		std::string trimmedName(const std::string& atomType);
167
168		std::set<std::string> waterTypeList;
169	<	};
169	>	};
170
171
172	<	}//namespace oopse
172	>	}//namespace OpenMD
173		#endif //_OTHERVISITOR_H_

Comparing:
trunk/src/visitors/OtherVisitor.hpp (property svn:keywords), Revision 413 by tim, Wed Mar 9 17:30:29 2005 UTC vs.
branches/development/src/visitors/OtherVisitor.hpp (property svn:keywords), Revision 1465 by chuckv, Fri Jul 9 23:08:25 2010 UTC

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