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IMDSimThread.h

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/***************************************************************************
 *cr
 *cr            (C) Copyright 1995-2019 The Board of Trustees of the
 *cr                        University of Illinois
 *cr                         All Rights Reserved
 *cr
 ***************************************************************************/

/***************************************************************************
 * RCS INFORMATION:
 *
 *      $RCSfile: IMDSimThread.h,v $
 *      $Author: johns $        $Locker:  $             $State: Exp $
 *      $Revision: 1.17 $       $Date: 2019/01/17 21:20:59 $
 *
 ***************************************************************************
 * DESCRIPTION:
 *  A multithreaded implementation of the interactive MD 
 *  coordinate/force communication update loop.
 ***************************************************************************/
#ifndef IMD_SIM_THREAD_H__
#define IMD_SIM_THREAD_H__

#include "IMDSim.h"
#include "WKFThreads.h" 

class IMDSimThread : public IMDSim {
public:
  IMDSimThread(const char *, int);
  virtual ~IMDSimThread();

  virtual void get_next_ts(float *, IMDEnergies *);

  virtual void send_forces(int, int *, float *);
  virtual void pause();
  virtual void unpause();
  virtual void detach();
  virtual void kill();
  virtual void set_transrate(int);

  void *reader(void *);

private:
  float *curpos, *curbuf;      
  float *posbuf1, *posbuf2;

  IMDEnergies imdEnergies; 

  int deadsocket;
  void process_coordinates(int32);
  void process_energies(int32);
  void process_mdcomm(int32);

  wkf_thread_t readerthread;
  wkf_mutex_t sockmutex;   
  wkf_mutex_t coordmutex;  

  int time2die;
  
};

#endif
 

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