| 22 |
|
#include <map> |
| 23 |
|
#include <functional> |
| 24 |
|
#include <algorithm> |
| 25 |
< |
//#include "extradata.h" |
| 25 |
> |
#include "extradata.h" |
| 26 |
|
|
| 27 |
|
|
| 28 |
|
|
| 29 |
|
using namespace std; |
| 30 |
|
|
| 31 |
< |
class TFrame //: public TExtraDataList |
| 31 |
> |
class TFrame : public TExtraDataList |
| 32 |
|
{ |
| 33 |
|
protected: |
| 34 |
|
int _numAtom; |
| 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;} |