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Comparing trunk/src/visitors/OtherVisitor.hpp (file contents):
Revision 3 by tim, Fri Sep 24 16:27:58 2004 UTC vs.
Revision 543 by tim, Thu May 26 22:45:00 2005 UTC

# Line 1 | Line 1
1 < #ifndef _OTHERVISITOR_H_
2 < #define _OTHERVISITOR_H_
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 < using namespace std;
50 > #include "visitors/AtomData.hpp"
51 > #include "selection/SelectionManager.hpp"
52 > #include "selection/SelectionEvaluator.hpp"
53  
54 < //IgnoreVisitor will turn on the ignoring flag of the stuntdouble
12 < class IgnoreVisitor : public BaseVisitor{
13 <  public:
14 <    IgnoreVisitor() : BaseVisitor() {visitorName = "IgnoreVisitor";}
54 > namespace oopse {
55  
56 <    virtual void visit(Atom* atom);
17 <    virtual void visit(DirectionalAtom* datom);
18 <    virtual void visit(RigidBody* rb);
19 <    
20 <    virtual const string toString();
56 >  class SimInfo;
57  
22 –    void addIgnoreType(const string& type) {itList.insert(type);}
23 –    
24 –  protected:
25 –    bool isIgnoreType(const string& name);
26 –    void internalVisit(StuntDouble* sd);
27 –    set<string> itList; //ignore type list;
28 – };
58  
59 <
31 < 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 38 | Line 66 | class WrappingVisitor : public BaseVisitor{
66      virtual void visit(DirectionalAtom* datom);
67      virtual void visit(RigidBody* rb);
68  
69 <    virtual const string toString();
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 IntVec3 {
81 >  class ReplicateVisitor : public BaseVisitor{
82    public:
83 <    IntVec3(){}
52 <    IntVec3(int i, int j, int k){
53 <      vec[0] = i;
54 <      vec[1] = j;
55 <      vec[2] = k;
56 <    }
57 <    
58 <    int vec[3];
59 <    int& operator[](int index) {return vec[index];}  
60 < };
61 <
62 < class ReplicateVisitor : public BaseVisitor{
63 <  public:
64 <    ReplicateVisitor(SimInfo* info, IntVec3 opt);
83 >    ReplicateVisitor(SimInfo* info, Vector3i opt);
84      virtual void visit(Atom* atom);
85      virtual void visit(DirectionalAtom* datom);
86      virtual void visit(RigidBody* rb);
87  
88 <    virtual const string toString();
88 >    virtual const std::string toString();
89    protected:
90      void internalVisit(StuntDouble* sd);
91 <    void replicate(vector<AtomInfo*>& infoList,  AtomData* data, double boxM[3][3]);
91 >    void replicate(std::vector<AtomInfo*>& infoList,  AtomData* data, const Mat3x3d& box);
92      
93    private:
94 <    vector<IntVec3> dir;
94 >    std::vector<Vector3i> dir;
95      SimInfo* info;
96 <    IntVec3 replicateOpt;
97 < };
96 >    Vector3i replicateOpt;
97 >  };
98  
99 < class XYZVisitor : public BaseVisitor{
99 >  class XYZVisitor : public BaseVisitor{
100    public:
82 –    XYZVisitor(SimInfo* info, bool printDipole = true);
101      
102 +    XYZVisitor(SimInfo* info);
103 +    
104 +    XYZVisitor(SimInfo* info, const std::string& script);
105 +    
106      virtual void visit(Atom* atom);
107      virtual void visit(DirectionalAtom* datom);
108      virtual void visit(RigidBody* rb);
109  
110 <    virtual const string toString();
110 >    virtual void update();
111 >
112 >    virtual const std::string toString();
113      
114 <    void writeFrame(ostream& outStream);    
114 >    void writeFrame(std::ostream& outStream);    
115      void clear() {frame.clear();}
116      
117    protected:
118      void internalVisit(StuntDouble* sd);
119 <    bool isIgnore(StuntDouble* sd);
119 >    bool isSelected(StuntDouble* sd);
120  
121    private:  
122      SimInfo* info;
123 <    vector<string> frame;
124 <    bool printDipole;
125 < };
123 >    SelectionManager seleMan;
124 >    SelectionEvaluator evaluator;
125 >    std::vector<std::string> frame;
126  
127 +  };
128  
129 < class PrepareVisitor : public BaseVisitor{
129 >
130 >  class PrepareVisitor : public BaseVisitor{
131    public:
132      PrepareVisitor() : BaseVisitor() {visitorName = "prepareVisitor";}
133  
# Line 109 | Line 135 | class PrepareVisitor : public BaseVisitor{
135      virtual void visit(DirectionalAtom* datom) {internalVisit((Atom*)datom);}
136      virtual void visit(RigidBody* rb) {internalVisit(rb);}
137  
138 <    virtual const string toString();
138 >    virtual const std::string toString();
139  
140    protected:
141      void internalVisit(Atom* atom);
142      void internalVisit(RigidBody* rb);
143 < };
143 >  };
144  
145 < class WaterTypeVisitor : public BaseVisitor{
145 >  class WaterTypeVisitor : public BaseVisitor{
146    public:
147      WaterTypeVisitor() ;
148      virtual void visit(Atom* atom) {}
149      virtual void visit(DirectionalAtom* datom) {}
150      virtual void visit(RigidBody* rb);
125 –
126 –    virtual const string toString();
151      
152 +    virtual const std::string toString();
153 +    
154    private:
155 <    void replaceType(string& atomType);
156 <      
157 <    set<string> waterTypeList;
158 < };
155 >    std::string trimmedName(const std::string& atomType);
156 >    
157 >    std::set<std::string> waterTypeList;
158 >  };
159 >
160 >
161 > }//namespace oopse
162   #endif //_OTHERVISITOR_H_

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