src/visitors/OtherVisitor.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_OTHERVISITOR_HPP
#define VISITORS_OTHERVISITOR_HPP
#include <set>
#include <string>
#include <vector>

#include "visitors/BaseVisitor.hpp"
#include "primitives/StuntDouble.hpp"
#include "visitors/AtomData.hpp"


namespace oopse {

class SimInfo;

//IgnoreVisitor will turn on the ignoring flag of the stuntdouble
class IgnoreVisitor : public BaseVisitor{
  public:
    IgnoreVisitor() : BaseVisitor() {visitorName = "IgnoreVisitor";}

    virtual void visit(Atom* atom);
    virtual void visit(DirectionalAtom* datom);
    virtual void visit(RigidBody* rb);
    
    virtual const std::string toString();

    void addIgnoreType(const std::string& type) {itList.insert(type);}
    
  protected:
    bool isIgnoreType(const std::string& name);
    void internalVisit(StuntDouble* sd);
    std::set<std::string> itList; //ignore type list;
};


class WrappingVisitor : public BaseVisitor{
  public:
    WrappingVisitor(SimInfo* info) : BaseVisitor() {
      this->info = info;
      visitorName = "WrappingVisitor";
    }
    virtual void visit(Atom* atom);
    virtual void visit(DirectionalAtom* datom);
    virtual void visit(RigidBody* rb);

    virtual const std::string toString();

  protected:
    void internalVisit(StuntDouble* sd);
    SimInfo* info;
};


class ReplicateVisitor : public BaseVisitor{
  public:
    ReplicateVisitor(SimInfo* info, Vector3i opt);
    virtual void visit(Atom* atom);
    virtual void visit(DirectionalAtom* datom);
    virtual void visit(RigidBody* rb);

    virtual const std::string toString();
  protected:
    void internalVisit(StuntDouble* sd);
    void replicate(std::vector<AtomInfo*>& infoList,  AtomData* data, const Mat3x3d& box);
    
  private:
    std::vector<Vector3i> dir;
    SimInfo* info;
    Vector3i replicateOpt;
};

class XYZVisitor : public BaseVisitor{
  public:
    XYZVisitor(SimInfo* info, bool printDipole = true);
    
    virtual void visit(Atom* atom);
    virtual void visit(DirectionalAtom* datom);
    virtual void visit(RigidBody* rb);

    virtual const std::string toString();
    
    void writeFrame(std::ostream& outStream);    
    void clear() {frame.clear();}
    
  protected:
    void internalVisit(StuntDouble* sd);
    bool isIgnore(StuntDouble* sd);

  private:  
    SimInfo* info;
    std::vector<std::string> frame;
    bool printDipole;
};


class PrepareVisitor : public BaseVisitor{
  public:
    PrepareVisitor() : BaseVisitor() {visitorName = "prepareVisitor";}

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

    virtual const std::string toString();

  protected:
    void internalVisit(Atom* atom);
    void internalVisit(RigidBody* rb);
};

class WaterTypeVisitor : public BaseVisitor{
  public:
    WaterTypeVisitor() ;
    virtual void visit(Atom* atom) {}
    virtual void visit(DirectionalAtom* datom) {}
    virtual void visit(RigidBody* rb);

    virtual const std::string toString();
    
  private:
    void replaceType(std::string& atomType);
      
    std::set<std::string> waterTypeList;
};


}//namespace oopse
#endif //_OTHERVISITOR_H_
Revision:	1930
Committed:	Wed Jan 12 22:41:40 2005 UTC (19 years, 5 months ago) by gezelter
File size:	5294 byte(s)
Log Message:	merging new_design branch into OOPSE-2.0
#	User	Rev	Content
1	gezelter	1930	/*
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_OTHERVISITOR_HPP
43			#define VISITORS_OTHERVISITOR_HPP
44	gezelter	1490	#include <set>
45			#include <string>
46			#include <vector>
47
48	tim	1492	#include "visitors/BaseVisitor.hpp"
49			#include "primitives/StuntDouble.hpp"
50	tim	1625	#include "visitors/AtomData.hpp"
51
52	gezelter	1490
53	tim	1625	namespace oopse {
54
55	gezelter	1930	class SimInfo;
56
57	gezelter	1490	//IgnoreVisitor will turn on the ignoring flag of the stuntdouble
58			class IgnoreVisitor : public BaseVisitor{
59			public:
60			IgnoreVisitor() : BaseVisitor() {visitorName = "IgnoreVisitor";}
61
62			virtual void visit(Atom* atom);
63			virtual void visit(DirectionalAtom* datom);
64			virtual void visit(RigidBody* rb);
65
66	gezelter	1930	virtual const std::string toString();
67	gezelter	1490
68	gezelter	1930	void addIgnoreType(const std::string& type) {itList.insert(type);}
69	gezelter	1490
70			protected:
71	gezelter	1930	bool isIgnoreType(const std::string& name);
72	gezelter	1490	void internalVisit(StuntDouble* sd);
73	gezelter	1930	std::set<std::string> itList; //ignore type list;
74	gezelter	1490	};
75
76
77			class WrappingVisitor : public BaseVisitor{
78			public:
79			WrappingVisitor(SimInfo* info) : BaseVisitor() {
80			this->info = info;
81			visitorName = "WrappingVisitor";
82			}
83			virtual void visit(Atom* atom);
84			virtual void visit(DirectionalAtom* datom);
85			virtual void visit(RigidBody* rb);
86
87	gezelter	1930	virtual const std::string toString();
88	gezelter	1490
89			protected:
90			void internalVisit(StuntDouble* sd);
91			SimInfo* info;
92			};
93
94
95			class ReplicateVisitor : public BaseVisitor{
96			public:
97	gezelter	1930	ReplicateVisitor(SimInfo* info, Vector3i opt);
98	gezelter	1490	virtual void visit(Atom* atom);
99			virtual void visit(DirectionalAtom* datom);
100			virtual void visit(RigidBody* rb);
101
102	gezelter	1930	virtual const std::string toString();
103	gezelter	1490	protected:
104			void internalVisit(StuntDouble* sd);
105	gezelter	1930	void replicate(std::vector<AtomInfo>& infoList, AtomData data, const Mat3x3d& box);
106	gezelter	1490
107			private:
108	gezelter	1930	std::vector<Vector3i> dir;
109	gezelter	1490	SimInfo* info;
110	gezelter	1930	Vector3i replicateOpt;
111	gezelter	1490	};
112
113			class XYZVisitor : public BaseVisitor{
114			public:
115			XYZVisitor(SimInfo* info, bool printDipole = true);
116
117			virtual void visit(Atom* atom);
118			virtual void visit(DirectionalAtom* datom);
119			virtual void visit(RigidBody* rb);
120
121	gezelter	1930	virtual const std::string toString();
122	gezelter	1490
123	gezelter	1930	void writeFrame(std::ostream& outStream);
124	gezelter	1490	void clear() {frame.clear();}
125
126			protected:
127			void internalVisit(StuntDouble* sd);
128			bool isIgnore(StuntDouble* sd);
129
130			private:
131			SimInfo* info;
132	gezelter	1930	std::vector<std::string> frame;
133	gezelter	1490	bool printDipole;
134			};
135
136
137			class PrepareVisitor : public BaseVisitor{
138			public:
139			PrepareVisitor() : BaseVisitor() {visitorName = "prepareVisitor";}
140
141			virtual void visit(Atom* atom) {internalVisit(atom);}
142			virtual void visit(DirectionalAtom* datom) {internalVisit((Atom*)datom);}
143			virtual void visit(RigidBody* rb) {internalVisit(rb);}
144
145	gezelter	1930	virtual const std::string toString();
146	gezelter	1490
147			protected:
148			void internalVisit(Atom* atom);
149			void internalVisit(RigidBody* rb);
150			};
151
152			class WaterTypeVisitor : public BaseVisitor{
153			public:
154			WaterTypeVisitor() ;
155			virtual void visit(Atom* atom) {}
156			virtual void visit(DirectionalAtom* datom) {}
157			virtual void visit(RigidBody* rb);
158
159	gezelter	1930	virtual const std::string toString();
160	gezelter	1490
161			private:
162	gezelter	1930	void replaceType(std::string& atomType);
163	gezelter	1490
164	gezelter	1930	std::set<std::string> waterTypeList;
165	gezelter	1490	};
166	tim	1625
167
168			}//namespace oopse
169	gezelter	1490	#endif //_OTHERVISITOR_H_