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:	2091
Committed:	Tue Mar 8 21:07:49 2005 UTC (19 years, 4 months ago) by gezelter
File size:	5364 byte(s)
Log Message:	fixing a strange icc8 bug (we think).
#	Content
1	/*
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	#include <set>
45	#include <string>
46	#include <vector>
47
48	#include "visitors/BaseVisitor.hpp"
49	#include "primitives/StuntDouble.hpp"
50	#include "visitors/AtomData.hpp"
51
52
53	namespace oopse {
54
55	class SimInfo;
56
57	//IgnoreVisitor will turn on the ignoring flag of the stuntdouble
58	class IgnoreVisitor : public BaseVisitor{
59	public:
60	IgnoreVisitor(SimInfo* info) : BaseVisitor() {this->info = info; visitorName = "IgnoreVisitor";}
61
62	virtual void visit(Atom* atom);
63	virtual void visit(DirectionalAtom* datom);
64	virtual void visit(RigidBody* rb);
65
66	virtual const std::string toString();
67
68	void addIgnoreType(const std::string& type) {itList.insert(type);}
69
70	protected:
71	bool isIgnoreType(const std::string& name);
72	void internalVisit(StuntDouble* sd);
73	std::set<std::string> itList; //ignore type list;
74	SimInfo* info;
75	};
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	virtual const std::string toString();
89
90	protected:
91	void internalVisit(StuntDouble* sd);
92	SimInfo* info;
93	};
94
95
96	class ReplicateVisitor : public BaseVisitor{
97	public:
98	ReplicateVisitor(SimInfo* info, Vector3i opt);
99	virtual void visit(Atom* atom);
100	virtual void visit(DirectionalAtom* datom);
101	virtual void visit(RigidBody* rb);
102
103	virtual const std::string toString();
104	protected:
105	void internalVisit(StuntDouble* sd);
106	void replicate(std::vector<AtomInfo>& infoList, AtomData data, const Mat3x3d& box);
107
108	private:
109	std::vector<Vector3i> dir;
110	SimInfo* info;
111	Vector3i replicateOpt;
112	};
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	virtual const std::string toString();
123
124	void writeFrame(std::ostream& outStream);
125	void clear() {frame.clear();}
126
127	protected:
128	void internalVisit(StuntDouble* sd);
129	bool isSelected(StuntDouble* sd);
130
131	private:
132	SimInfo* info;
133	std::vector<std::string> frame;
134	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	virtual const std::string toString();
147
148	protected:
149	void internalVisit(Atom* atom);
150	void internalVisit(RigidBody* rb);
151	};
152
153	class WaterTypeVisitor : public BaseVisitor{
154	public:
155	WaterTypeVisitor() ;
156	virtual void visit(Atom* atom) {}
157	virtual void visit(DirectionalAtom* datom) {}
158	virtual void visit(RigidBody* rb);
159
160	virtual const std::string toString();
161
162	private:
163	std::string trimmedName(const std::string& atomType);
164
165	std::set<std::string> waterTypeList;
166	};
167
168
169	}//namespace oopse
170	#endif //_OTHERVISITOR_H_