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(SimInfo* info) : BaseVisitor() {this->info = info; 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;
    SimInfo* info;
};


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 isSelected(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:
    std::string trimmedName(const std::string& atomType);
    
    std::set<std::string> waterTypeList;
};


}//namespace oopse
#endif //_OTHERVISITOR_H_
Revision:	407
Committed:	Tue Mar 8 21:07:49 2005 UTC (20 years, 2 months ago) by gezelter
Original Path:	*trunk/src/visitors/OtherVisitor.hpp*
File size:	5364 byte(s)
Log Message:	fixing a strange icc8 bug (we think).
#	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_OTHERVISITOR_HPP
43			#define VISITORS_OTHERVISITOR_HPP
44	gezelter	2	#include <set>
45			#include <string>
46			#include <vector>
47
48	tim	3	#include "visitors/BaseVisitor.hpp"
49			#include "primitives/StuntDouble.hpp"
50	tim	132	#include "visitors/AtomData.hpp"
51
52	gezelter	2
53	tim	132	namespace oopse {
54
55	gezelter	246	class SimInfo;
56
57	gezelter	2	//IgnoreVisitor will turn on the ignoring flag of the stuntdouble
58			class IgnoreVisitor : public BaseVisitor{
59			public:
60	tim	293	IgnoreVisitor(SimInfo* info) : BaseVisitor() {this->info = info; visitorName = "IgnoreVisitor";}
61	gezelter	2
62			virtual void visit(Atom* atom);
63			virtual void visit(DirectionalAtom* datom);
64			virtual void visit(RigidBody* rb);
65
66	gezelter	246	virtual const std::string toString();
67	gezelter	2
68	gezelter	246	void addIgnoreType(const std::string& type) {itList.insert(type);}
69	gezelter	2
70			protected:
71	gezelter	246	bool isIgnoreType(const std::string& name);
72	gezelter	2	void internalVisit(StuntDouble* sd);
73	gezelter	246	std::set<std::string> itList; //ignore type list;
74	tim	293	SimInfo* info;
75	gezelter	2	};
76
77
78			class WrappingVisitor : public BaseVisitor{
79			public:
80			WrappingVisitor(SimInfo* info) : BaseVisitor() {
81			this->info = info;
82			visitorName = "WrappingVisitor";
83			}
84			virtual void visit(Atom* atom);
85			virtual void visit(DirectionalAtom* datom);
86			virtual void visit(RigidBody* rb);
87
88	gezelter	246	virtual const std::string toString();
89	gezelter	2
90			protected:
91			void internalVisit(StuntDouble* sd);
92			SimInfo* info;
93			};
94
95
96			class ReplicateVisitor : public BaseVisitor{
97			public:
98	gezelter	246	ReplicateVisitor(SimInfo* info, Vector3i opt);
99	gezelter	2	virtual void visit(Atom* atom);
100			virtual void visit(DirectionalAtom* datom);
101			virtual void visit(RigidBody* rb);
102
103	gezelter	246	virtual const std::string toString();
104	gezelter	2	protected:
105			void internalVisit(StuntDouble* sd);
106	gezelter	246	void replicate(std::vector<AtomInfo>& infoList, AtomData data, const Mat3x3d& box);
107	gezelter	2
108			private:
109	gezelter	246	std::vector<Vector3i> dir;
110	gezelter	2	SimInfo* info;
111	gezelter	246	Vector3i replicateOpt;
112	gezelter	2	};
113
114			class XYZVisitor : public BaseVisitor{
115			public:
116			XYZVisitor(SimInfo* info, bool printDipole = true);
117
118			virtual void visit(Atom* atom);
119			virtual void visit(DirectionalAtom* datom);
120			virtual void visit(RigidBody* rb);
121
122	gezelter	246	virtual const std::string toString();
123	gezelter	2
124	gezelter	246	void writeFrame(std::ostream& outStream);
125	gezelter	2	void clear() {frame.clear();}
126
127			protected:
128			void internalVisit(StuntDouble* sd);
129	tim	293	bool isSelected(StuntDouble* sd);
130	gezelter	2
131			private:
132			SimInfo* info;
133	gezelter	246	std::vector<std::string> frame;
134	gezelter	2	bool printDipole;
135			};
136
137
138			class PrepareVisitor : public BaseVisitor{
139			public:
140			PrepareVisitor() : BaseVisitor() {visitorName = "prepareVisitor";}
141
142			virtual void visit(Atom* atom) {internalVisit(atom);}
143			virtual void visit(DirectionalAtom* datom) {internalVisit((Atom*)datom);}
144			virtual void visit(RigidBody* rb) {internalVisit(rb);}
145
146	gezelter	246	virtual const std::string toString();
147	gezelter	2
148			protected:
149			void internalVisit(Atom* atom);
150			void internalVisit(RigidBody* rb);
151			};
152
153	gezelter	407	class WaterTypeVisitor : public BaseVisitor{
154	gezelter	2	public:
155			WaterTypeVisitor() ;
156			virtual void visit(Atom* atom) {}
157			virtual void visit(DirectionalAtom* datom) {}
158			virtual void visit(RigidBody* rb);
159	gezelter	407
160	gezelter	246	virtual const std::string toString();
161	gezelter	2
162			private:
163	gezelter	407	std::string trimmedName(const std::string& atomType);
164
165	gezelter	246	std::set<std::string> waterTypeList;
166	gezelter	2	};
167	tim	132
168
169			}//namespace oopse
170	gezelter	2	#endif //_OTHERVISITOR_H_