GlobalMasterIMD.h

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00001 
00007 #ifndef GLOBALMASTERIMD_H
00008 #define GLOBALMASTERIMD_H
00009 
00010 #include "GlobalMaster.h"
00011 #include "imd.h"
00012 #include "ResizeArray.h"
00013 
00014 class FloatVector;
00015 
00016 class GlobalMasterIMD : public GlobalMaster {
00017  public: 
00018   /* initializes this according to the simulation parameters */
00019   GlobalMasterIMD();
00020   ~GlobalMasterIMD();
00021 
00022   void send_energies(IMDEnergies *);
00023   void send_fcoords(int, FloatVector *);
00024 
00025  protected:
00026 
00027   friend class IMDOutput;
00028 
00029   virtual void calculate();
00030 
00031   // Simple function for getting MDComm-style forces from VMD
00032   void get_vmd_forces();
00033 
00034   // flag for whether to proceed with simulation when there are no connections
00035   int IMDwait;
00036 
00037   // flag for whether to ignore all user input
00038   int IMDignore;
00039 
00040   // flag for whether to ignore only forces
00041   int IMDignoreForces;
00042 
00043   // My server socket handle
00044   void *sock;
00045 
00046   // Connected sockets
00047   ResizeArray<void *>clients;
00048 
00049   // temporaries in case 3*sizeof(float) != sizeof(FloatVector)
00050   float *coordtmp;
00051   int coordtmpsize;
00052 };
00053 
00054 #endif
00055 

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