imd.h File Reference

#include <limits.h>
#include <vector>
#include "common.h"

Go to the source code of this file.

Classes
struct	IMDEnergies
struct	IMDTime
struct	IMDBox
struct	IMDSessionInfo

Typedefs
typedef short	int32

Enumerations
enum	IMDType {   IMD_DISCONNECT, IMD_ENERGIES, IMD_FCOORDS, IMD_GO,   IMD_HANDSHAKE, IMD_KILL, IMD_MDCOMM, IMD_PAUSE,   IMD_TRATE, IMD_IOERROR, IMD_SESSIONINFO, IMD_RESUME,   IMD_TIME, IMD_BOX, IMD_VELOCITIES, IMD_FORCES,   IMD_WAIT }

Functions
int	imd_disconnect (void *)
int	imd_pause (void *)
int	imd_kill (void *)
int	imd_handshake (void *, const int)
int	imd_trate (void *, int32)
int	imd_sessioninfo (void *, const IMDSessionInfo *)
int	imd_send_mdcomm (void *, int32, const int32 *, const float *)
int	imd_send_energies (void *, const IMDEnergies *)
int	imd_send_fcoords (void *, int32, const float *)
int	imd_send_velocities (void *, int32, const float *)
int	imd_send_forces (void *, int32, const float *)
int	imd_send_box (void *, const IMDBox *)
int	imd_send_time (void *, const IMDTime *)
int	imd_recv_handshake (void *)
	Receive header and data. More...
IMDType	imd_recv_header (void *, int32 *)
int	imd_recv_mdcomm (void *, int32, int32 *, float *)
int	imd_recv_energies (void *, IMDEnergies *)
int	imd_recv_fcoords (void *, int32, float *)
int	imd_recv_velocities (void *, int32, float *)
int	imd_recv_forces (void *, int32, float *)
int	imd_recv_box (void *, IMDBox *)
int	imd_recv_time (void *, IMDTime *)

Typedef Documentation

int32

typedef short int32

Definition at line 12 of file imd.h.

Enumeration Type Documentation

IMDType

enum IMDType

Enumerator
IMD_DISCONNECT
IMD_ENERGIES
IMD_FCOORDS
IMD_GO
IMD_HANDSHAKE
IMD_KILL
IMD_MDCOMM
IMD_PAUSE
IMD_TRATE
IMD_IOERROR
IMD_SESSIONINFO
IMD_RESUME
IMD_TIME
IMD_BOX
IMD_VELOCITIES
IMD_FORCES
IMD_WAIT

Definition at line 15 of file imd.h.

             {
  IMD_DISCONNECT, //  = 0
  IMD_ENERGIES, //  = 1
  IMD_FCOORDS, // = 2
  IMD_GO, // = 3
  IMD_HANDSHAKE, // = 4
  IMD_KILL, // = 5
  IMD_MDCOMM, // = 6
  IMD_PAUSE, // = 7
  IMD_TRATE, // = 8
  IMD_IOERROR, // = 9
  //  New in IMD v3
  IMD_SESSIONINFO, // = 10
  IMD_RESUME, // = 11
  IMD_TIME, // = 12
  IMD_BOX, // = 13
  IMD_VELOCITIES, // = 14
  IMD_FORCES, // = 15
  IMD_WAIT, // = 16
};

Function Documentation

imd_disconnect()

int imd_disconnect

(

void *

)

Definition at line 107 of file imd.C.

References fill_header(), HEADERSIZE, IMD_DISCONNECT, and imd_writen().

                            {
  IMDheader header;
  fill_header(&header, IMD_DISCONNECT, 0);
  return (imd_writen(s, (char *)&header, HEADERSIZE) != HEADERSIZE);
}

imd_handshake()

int imd_handshake	(	void *	,
		const int
	)

Definition at line 132 of file imd.C.

References fill_header(), HEADERSIZE, IMD_HANDSHAKE, imd_writen(), and IMDheader::length.

Referenced by my_imd_connect().

                                                 {
  IMDheader header;
  fill_header(&header, IMD_HANDSHAKE, 1);
  header.length = IMDVersion;   // Not byteswapped!
  return (imd_writen(s, (char *)&header, HEADERSIZE) != HEADERSIZE);
}

imd_kill()

int imd_kill

(

void *

)

Definition at line 119 of file imd.C.

References fill_header(), HEADERSIZE, IMD_KILL, and imd_writen().

                      {
  IMDheader header;
  fill_header(&header, IMD_KILL, 0);
  return (imd_writen(s, (char *)&header, HEADERSIZE) != HEADERSIZE);
}

imd_pause()

int imd_pause

(

void *

)

Definition at line 113 of file imd.C.

References fill_header(), HEADERSIZE, IMD_PAUSE, and imd_writen().

                       {
  IMDheader header;
  fill_header(&header, IMD_PAUSE, 0);
  return (imd_writen(s, (char *)&header, HEADERSIZE) != HEADERSIZE);
}

imd_recv_box()

int imd_recv_box	(	void *	,
		IMDBox *
	)

Definition at line 310 of file imd.C.

References imd_readn().

                                       {
  return (imd_readn(s, (char *)box, sizeof(IMDBox)) != sizeof(IMDBox));
}

imd_recv_energies()

int imd_recv_energies	(	void *	,
		IMDEnergies *
	)

Definition at line 293 of file imd.C.

References imd_readn().

Referenced by GlobalMasterIMD::get_vmd_forces().

                                                      {
  return (imd_readn(s, (char *)energies, sizeof(IMDEnergies))
          != sizeof(IMDEnergies));
}

imd_recv_fcoords()

int imd_recv_fcoords	(	void *	,
		int32	,
		float *
	)

Definition at line 298 of file imd.C.

References coords, and imd_readn().

Referenced by GlobalMasterIMD::get_vmd_forces().

                                                      {
  return (imd_readn(s, (char *)coords, 12*n) != 12*n);
}

imd_recv_forces()

int imd_recv_forces	(	void *	,
		int32	,
		float *
	)

Definition at line 306 of file imd.C.

References imd_readn().

                                                     {
  return (imd_readn(s, (char *)forces, 12*n) != 12*n);
}

imd_recv_handshake()

int imd_recv_handshake

(

void *

)

Receive header and data.

Definition at line 253 of file imd.C.

References imd_go(), IMD_HANDSHAKE, imd_recv_header_nolengthswap(), IMDv2, swap4(), and vmdsock_selread().

                                {
  // Wait 5 seconds for the handshake to come
  if (vmdsock_selread(s, 5) != 1) return -1;

  // Check to see that a valid handshake was received
  int32 buf;
  IMDType type = imd_recv_header_nolengthswap(s, &buf);
  if (type != IMD_HANDSHAKE) return -1;

  // Check its endianness, as well as the IMD version.
  if (buf == static_cast<int>(IMDversion_t::IMDv2)) {
    if (!imd_go(s)) return 0;
    return -1;
  }
  swap4((char *)&buf, 4);
  if (buf == static_cast<int>(IMDversion_t::IMDv2)) {
    if (!imd_go(s)) return 1;
  }
  
  // We failed to determine endianness.
  return -1; 
}

imd_recv_header()

IMDType imd_recv_header	(	void *	,
		int32 *
	)

Definition at line 276 of file imd.C.

References HEADERSIZE, IMD_IOERROR, imd_readn(), and swap_header().

Referenced by GlobalMasterIMD::get_vmd_forces(), and my_imd_connect().

                                                {
  IMDheader header;
  if (imd_readn(s, (char *)&header, HEADERSIZE) != HEADERSIZE)
    return IMD_IOERROR;
  int i;
  char *ch = (char*)(&header);
  swap_header(&header);
  *length = header.length;
  return IMDType(header.type); 
}

imd_recv_mdcomm()

int imd_recv_mdcomm	(	void *	,
		int32	,
		int32 *	,
		float *
	)

Definition at line 287 of file imd.C.

References imd_readn().

Referenced by GlobalMasterIMD::get_vmd_forces().

                                                                     {
  if (imd_readn(s, (char *)indices, 4*n) != 4*n) return 1;
  if (imd_readn(s, (char *)forces, 12*n) != 12*n) return 1;
  return 0;
}

imd_recv_time()

int imd_recv_time	(	void *	,
		IMDTime *
	)

Definition at line 314 of file imd.C.

References imd_readn().

                                          {
  return (imd_readn(s, (char *)time, sizeof(IMDTime)) != sizeof(IMDTime));
}

imd_recv_velocities()

int imd_recv_velocities	(	void *	,
		int32	,
		float *
	)

Definition at line 302 of file imd.C.

References imd_readn().

                                                       {
  return (imd_readn(s, (char *)vels, 12*n) != 12*n);
}

imd_send_box()

int imd_send_box	(	void *	,
		const IMDBox *
	)

Definition at line 222 of file imd.C.

References fill_header(), HEADERSIZE, IMD_BOX, and imd_writen().

Referenced by GlobalMasterIMD::send_box().

                                             {
  int32 size = HEADERSIZE+sizeof(IMDBox);
  char *buf = new char[size];
  fill_header((IMDheader *)buf, IMD_BOX, 1);
  memcpy((void *)(buf+HEADERSIZE), (const void *)box, sizeof(IMDBox));
  int rc = (imd_writen(s, buf, size) != size);
  delete [] buf;
  return rc;
}

imd_send_energies()

int imd_send_energies	(	void *	,
		const IMDEnergies *
	)

Definition at line 182 of file imd.C.

References fill_header(), HEADERSIZE, IMD_ENERGIES, and imd_writen().

Referenced by GlobalMasterIMD::send_energies().

                                                            {
  int32 size = HEADERSIZE+sizeof(IMDEnergies);
  char *buf = new char[size];
  fill_header((IMDheader *)buf, IMD_ENERGIES, 1);
  memcpy((void *)(buf+HEADERSIZE), (const void *)energies, sizeof(IMDEnergies));
  int rc = (imd_writen(s, buf, size) != size);
  delete [] buf;
  return rc;
}

imd_send_fcoords()

int imd_send_fcoords	(	void *	,
		int32	,
		const float *
	)

Definition at line 192 of file imd.C.

References coords, fill_header(), HEADERSIZE, IMD_FCOORDS, and imd_writen().

Referenced by GlobalMasterIMD::send_fcoords().

                                                            {
  int32 size = HEADERSIZE+12*n;
  char *buf = new char[size];
  fill_header((IMDheader *)buf, IMD_FCOORDS, n);
  memcpy((void *)(buf+HEADERSIZE), (const void *)coords, 12*n);
  int rc = (imd_writen(s, buf, size) != size);
  delete [] buf;
  return rc;
}

imd_send_forces()

int imd_send_forces	(	void *	,
		int32	,
		const float *
	)

Definition at line 212 of file imd.C.

References fill_header(), HEADERSIZE, IMD_FORCES, and imd_writen().

Referenced by GlobalMasterIMD::send_forces().

                                                           {
  int32 size = HEADERSIZE+3*n*sizeof(float);
  char *buf = new char[size];
  fill_header((IMDheader *)buf, IMD_FORCES, n);
  memcpy((void *)(buf+HEADERSIZE), (const void *)forces, 3*n*sizeof(float));
  int rc = (imd_writen(s, buf, size) != size);
  delete [] buf;
  return rc;
}

imd_send_mdcomm()

int imd_send_mdcomm	(	void *	,
		int32	,
		const int32 *	,
		const float *
	)

Definition at line 171 of file imd.C.

References fill_header(), HEADERSIZE, IMD_MDCOMM, and imd_writen().

                                                                              {
  int32 size = HEADERSIZE+16*n;
  char *buf = new char[size]; 
  fill_header((IMDheader *)buf, IMD_MDCOMM, n);
  memcpy((void *)(buf+HEADERSIZE), (const void *)indices, 4*n);
  memcpy((void *)(buf+HEADERSIZE+4*n), (const void *)forces, 12*n);
  int rc = (imd_writen(s, buf, size) != size);
  delete [] buf;
  return rc;
}

imd_send_time()

int imd_send_time	(	void *	,
		const IMDTime *
	)

Definition at line 232 of file imd.C.

References fill_header(), HEADERSIZE, IMD_TIME, and imd_writen().

Referenced by GlobalMasterIMD::send_time().

                                                {
  int32 size = HEADERSIZE+sizeof(IMDTime);
  char *buf = new char[size];
  fill_header((IMDheader *)buf, IMD_TIME, 1);
  memcpy((void *)(buf+HEADERSIZE), (const void *)time, sizeof(IMDTime));
  int rc = (imd_writen(s, buf, size) != size);
  delete [] buf;
  return rc;
}

imd_send_velocities()

int imd_send_velocities	(	void *	,
		int32	,
		const float *
	)

Definition at line 202 of file imd.C.

References fill_header(), HEADERSIZE, IMD_VELOCITIES, and imd_writen().

Referenced by GlobalMasterIMD::send_velocities().

                                                             {
  int32 size = HEADERSIZE+3*n*sizeof(float);
  char *buf = new char[size];
  fill_header((IMDheader *)buf, IMD_VELOCITIES, n);
  memcpy((void *)(buf+HEADERSIZE), (const void *)vels, 3*n*sizeof(float));
  int rc = (imd_writen(s, buf, size) != size);
  delete [] buf;
  return rc;
}

imd_sessioninfo()

int imd_sessioninfo	(	void *	,
		const IMDSessionInfo *
	)

Definition at line 160 of file imd.C.

References fill_header(), HEADERSIZE, IMD_SESSIONINFO, imd_writen(), and toTypeVector().

Referenced by my_imd_connect().

                                                         {
  std::vector<char> infoData = toTypeVector(info);
  int32 size = HEADERSIZE+infoData.size()*sizeof(char);
  char *buf = new char[size];
  fill_header((IMDheader *)buf, IMD_SESSIONINFO, static_cast<int32>(infoData.size()));
  memcpy((void *)(buf+HEADERSIZE), (const void *)(infoData.data()), infoData.size()*sizeof(char));
  int rc = (imd_writen(s, buf, size) != size);
  delete [] buf;
  return rc;
}

imd_trate()

int imd_trate	(	void *	,
		int32
	)

Definition at line 139 of file imd.C.

References fill_header(), HEADERSIZE, IMD_TRATE, and imd_writen().

                                   {
  IMDheader header;
  fill_header(&header, IMD_TRATE, rate);
  return (imd_writen(s, (char *)&header, HEADERSIZE) != HEADERSIZE);
}