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root/group/trunk/FAS/src/frame.h
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Comparing trunk/FAS/src/frame.h (file contents):
Revision 81 by tim, Thu Aug 15 22:14:31 2002 UTC vs.
Revision 88 by tim, Mon Aug 19 20:49:08 2002 UTC

# Line 20 | Line 20
20   #include <iostream>
21   #include <vector>
22   #include <map>
23 + #include <functional>
24 + #include <algorithm>
25   #include "extradata.h"
26  
27 +
28 +
29   using namespace std;
30  
31 < class TFrame
31 > class TFrame : public TExtraDataList
32   {
33          protected:
34                  int _numAtom;
# Line 41 | Line 45 | class TFrame
45                  vector<float> _coor;
46                  vector<float> _velo;
47  
48 <    vector<TExtraData *>        _extraDataList;
48 > //    TExtraDataList    _extraDataList;
49  
50      void Clear();
51  
# Line 56 | Line 60 | class TFrame
60      int GetTimeSteps()  { return _timeSteps;}
61                  vector<float> &GetCoor()  { return _coor;}
62                  vector<float> &GetVelo()  { return _velo;}
63 +    float GetCoor(int frameIndex);
64 +    float GetVelo(int frameIndex);
65  
66      float GetAlpha()  { return _alpha;}
67      float GetBeta() { return _beta;}
# Line 78 | Line 84 | class TFrame
84      void SetBoxLenX(float boxLenX) { _boxLen[0] = boxLenX;}
85      void SetBoxLenY(float boxLenY) { _boxLen[1] = boxLenY;}
86      void SetBoxLenZ(float boxLenZ) { _boxLen[2] = boxLenZ;}
87 <
87 > /*
88      void AddExtraData(TExtraData *extraData);
89      void RemoveExtraData(TExtraData *extraData);
90      TExtraData *GetExtraData(int extraDataType);
# Line 86 | Line 92 | class TFrame
92      vector<TExtraData *> &GetExraDataList() { return _extraDataList;}
93      void SetExraDataList(vector<TExtraData *> &extraDataList)
94                            { _extraDataList = extraDataList;}
95 <
95 > */
96                  void Reserve(int numAtom);
97  
98      void Init();
99  
100   };
101 +
102 +

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