src/visitors/ZconsVisitor.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. Acknowledgement of the program authors must be made in any
 *    publication of scientific results based in part on use of the
 *    program.  An acceptable form of acknowledgement is citation of
 *    the article in which the program was described (Matthew
 *    A. Meineke, Charles F. Vardeman II, Teng Lin, Christopher
 *    J. Fennell and J. Daniel Gezelter, "OOPSE: An Object-Oriented
 *    Parallel Simulation Engine for Molecular Dynamics,"
 *    J. Comput. Chem. 26, pp. 252-271 (2005))
 *
 * 2. Redistributions of source code must retain the above copyright
 *    notice, this list of conditions and the following disclaimer.
 *
 * 3. 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.
 */
 
#ifndef VISITORS_ZCONSVISITOR_HPP
#define VISITORS_ZCONSVISITOR_HPP

#include "io/ZConsReader.hpp"
#include "primitives/RigidBody.hpp"
#include "visitors/BaseVisitor.hpp"
#include "visitors/AtomData.hpp"


namespace oopse {

/**
 * @class ZConsVisitor
 * @note 
 */
class ZConsVisitor : public BaseVisitor{
    public:
        enum ZConsState{zsFixed = 0, zsMoving};

        ZConsVisitor(SimInfo* info);
        ~ZConsVisitor();

        virtual void visit(Atom* atom);
        virtual void visit(DirectionalAtom* datom);
        virtual void visit(RigidBody* rb);

        virtual void update();

        bool haveZconsMol() {return !zmolStates_.empty(); }

        virtual const std::string toString();
        protected:
        void internalVisit(StuntDouble* sd, const std::string& prefix);
        bool isZconstraint(int index, std::string& prefix);
        void readZconsFile(double time);

    private:  
        std::vector<double> zconsPos;
        std::map<int, ZConsState> zmolStates_;
        double zconsTol_;
        double zconsTime_;
        std::string zconsFilename_;
        ZConsReader* zconsReader_;
        SimInfo* info_;
        Snapshot* currSnapshot_;
        std::map<int, int> zatomToZmol_;
};

}//namespace oopse
#endif // _ZCONS_VISITOR_H_


Revision:	246
Committed:	Wed Jan 12 22:41:40 2005 UTC (20 years, 4 months ago) by gezelter
Original Path:	*trunk/src/visitors/ZconsVisitor.hpp*
File size:	3352 byte(s)
Log Message:	merging new_design branch into OOPSE-2.0
#	User	Rev	Content
1	gezelter	246	/*
2			* 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			* 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
19			* notice, this list of conditions and the following disclaimer.
20			*
21			* 3. Redistributions in binary form must reproduce the above copyright
22			* notice, this list of conditions and the following disclaimer in the
23			* documentation and/or other materials provided with the
24			* distribution.
25			*
26			* This software is provided "AS IS," without a warranty of any
27			* kind. All express or implied conditions, representations and
28			* warranties, including any implied warranty of merchantability,
29			* fitness for a particular purpose or non-infringement, are hereby
30			* excluded. The University of Notre Dame and its licensors shall not
31			* be liable for any damages suffered by licensee as a result of
32			* using, modifying or distributing the software or its
33			* derivatives. In no event will the University of Notre Dame or its
34			* licensors be liable for any lost revenue, profit or data, or for
35			* direct, indirect, special, consequential, incidental or punitive
36			* damages, however caused and regardless of the theory of liability,
37			* arising out of the use of or inability to use software, even if the
38			* University of Notre Dame has been advised of the possibility of
39			* such damages.
40			*/
41
42			#ifndef VISITORS_ZCONSVISITOR_HPP
43			#define VISITORS_ZCONSVISITOR_HPP
44	gezelter	2
45	gezelter	246	#include "io/ZConsReader.hpp"
46			#include "primitives/RigidBody.hpp"
47	tim	3	#include "visitors/BaseVisitor.hpp"
48	tim	132	#include "visitors/AtomData.hpp"
49	gezelter	246
50
51
52	tim	132	namespace oopse {
53	gezelter	246
54			/**
55			* @class ZConsVisitor
56			* @note
57			*/
58	gezelter	2	class ZConsVisitor : public BaseVisitor{
59	gezelter	246	public:
60			enum ZConsState{zsFixed = 0, zsMoving};
61	gezelter	2
62	gezelter	246	ZConsVisitor(SimInfo* info);
63			~ZConsVisitor();
64	gezelter	2
65	gezelter	246	virtual void visit(Atom* atom);
66			virtual void visit(DirectionalAtom* datom);
67			virtual void visit(RigidBody* rb);
68
69			virtual void update();
70
71			bool haveZconsMol() {return !zmolStates_.empty(); }
72
73			virtual const std::string toString();
74			protected:
75			void internalVisit(StuntDouble* sd, const std::string& prefix);
76			bool isZconstraint(int index, std::string& prefix);
77			void readZconsFile(double time);
78
79			private:
80			std::vector<double> zconsPos;
81			std::map<int, ZConsState> zmolStates_;
82			double zconsTol_;
83			double zconsTime_;
84			std::string zconsFilename_;
85			ZConsReader* zconsReader_;
86			SimInfo* info_;
87			Snapshot* currSnapshot_;
88			std::map<int, int> zatomToZmol_;
89	gezelter	2	};
90	tim	132
91			}//namespace oopse
92	gezelter	2	#endif // _ZCONS_VISITOR_H_
93
94	tim	132