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#include <iostream> |
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#include <vector> |
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#include <map> |
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#include "extradata.h" |
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#include <functional> |
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#include <algorithm> |
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//#include "extradata.h" |
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using namespace std; |
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class TFrame |
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class TFrame //: public TExtraDataList |
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{ |
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protected: |
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int _numAtom; |
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vector<float> _coor; |
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vector<float> _velo; |
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vector<TExtraData *> _extraDataList; |
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// TExtraDataList _extraDataList; |
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void Clear(); |
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void SetBoxLenX(float boxLenX) { _boxLen[0] = boxLenX;} |
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void SetBoxLenY(float boxLenY) { _boxLen[1] = boxLenY;} |
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void SetBoxLenZ(float boxLenZ) { _boxLen[2] = boxLenZ;} |
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/* |
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void AddExtraData(TExtraData *extraData); |
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void RemoveExtraData(TExtraData *extraData); |
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TExtraData *GetExtraData(int extraDataType); |
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vector<TExtraData *> &GetExraDataList() { return _extraDataList;} |
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void SetExraDataList(vector<TExtraData *> &extraDataList) |
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{ _extraDataList = extraDataList;} |
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*/ |
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void Reserve(int numAtom); |
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void Init(); |
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}; |
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