imd.h File Reference

#include <limits.h>

Go to the source code of this file.

Classes

struct  IMDEnergies

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
}

Functions

int imd_disconnect (void *)
int imd_pause (void *)
int imd_kill (void *)
int imd_handshake (void *)
int imd_trate (void *, int32)
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_recv_handshake (void *)
 Receive header and data.
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 *)


Typedef Documentation

typedef short int32

Definition at line 10 of file imd.h.


Enumeration Type Documentation

enum IMDType

Enumerator:
IMD_DISCONNECT 
IMD_ENERGIES 
IMD_FCOORDS 
IMD_GO 
IMD_HANDSHAKE 
IMD_KILL 
IMD_MDCOMM 
IMD_PAUSE 
IMD_TRATE 
IMD_IOERROR 

Definition at line 13 of file imd.h.

00013              {
00014   IMD_DISCONNECT,
00015   IMD_ENERGIES, 
00016   IMD_FCOORDS,   
00017   IMD_GO,
00018   IMD_HANDSHAKE, 
00019   IMD_KILL,      
00020   IMD_MDCOMM,    
00021   IMD_PAUSE,
00022   IMD_TRATE,
00023   IMD_IOERROR
00024 };


Function Documentation

int imd_disconnect ( void *   ) 

Definition at line 108 of file imd.C.

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

00108                             {
00109   IMDheader header;
00110   fill_header(&header, IMD_DISCONNECT, 0);
00111   return (imd_writen(s, (char *)&header, HEADERSIZE) != HEADERSIZE);
00112 }

int imd_handshake ( void *   ) 

Definition at line 133 of file imd.C.

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

Referenced by my_imd_connect().

00133                            {
00134   IMDheader header;
00135   fill_header(&header, IMD_HANDSHAKE, 1);
00136   header.length = IMDVERSION;   // Not byteswapped!
00137   return (imd_writen(s, (char *)&header, HEADERSIZE) != HEADERSIZE);
00138 }

int imd_kill ( void *   ) 

Definition at line 120 of file imd.C.

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

00120                       {
00121   IMDheader header;
00122   fill_header(&header, IMD_KILL, 0);
00123   return (imd_writen(s, (char *)&header, HEADERSIZE) != HEADERSIZE);
00124 }

int imd_pause ( void *   ) 

Definition at line 114 of file imd.C.

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

00114                        {
00115   IMDheader header;
00116   fill_header(&header, IMD_PAUSE, 0);
00117   return (imd_writen(s, (char *)&header, HEADERSIZE) != HEADERSIZE);
00118 }

int imd_recv_energies ( void *  ,
IMDEnergies  
)

Definition at line 231 of file imd.C.

References imd_readn().

Referenced by GlobalMasterIMD::get_vmd_forces().

00231                                                       {
00232   return (imd_readn(s, (char *)energies, sizeof(IMDEnergies))
00233           != sizeof(IMDEnergies));
00234 }

int imd_recv_fcoords ( void *  ,
int32  ,
float *   
)

Definition at line 236 of file imd.C.

References imd_readn().

Referenced by GlobalMasterIMD::get_vmd_forces().

00236                                                       {
00237   return (imd_readn(s, (char *)coords, 12*n) != 12*n);
00238 }

int imd_recv_handshake ( void *   ) 

Receive header and data.

Definition at line 191 of file imd.C.

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

00191                                 {
00192   // Wait 5 seconds for the handshake to come
00193   if (vmdsock_selread(s, 5) != 1) return -1;
00194 
00195   // Check to see that a valid handshake was received
00196   int32 buf;
00197   IMDType type = imd_recv_header_nolengthswap(s, &buf);
00198   if (type != IMD_HANDSHAKE) return -1;
00199 
00200   // Check its endianness, as well as the IMD version.
00201   if (buf == IMDVERSION) {
00202     if (!imd_go(s)) return 0;
00203     return -1;
00204   }
00205   swap4((char *)&buf, 4);
00206   if (buf == IMDVERSION) {
00207     if (!imd_go(s)) return 1;
00208   }
00209   
00210   // We failed to determine endianness.
00211   return -1; 
00212 }

IMDType imd_recv_header ( void *  ,
int32  
)

Definition at line 214 of file imd.C.

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

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

00214                                                 {
00215   IMDheader header;
00216   if (imd_readn(s, (char *)&header, HEADERSIZE) != HEADERSIZE)
00217     return IMD_IOERROR;
00218   int i;
00219   char *ch = (char*)(&header);
00220   swap_header(&header);
00221   *length = header.length;
00222   return IMDType(header.type); 
00223 }

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

Definition at line 225 of file imd.C.

References imd_readn().

Referenced by GlobalMasterIMD::get_vmd_forces().

00225                                                                      {
00226   if (imd_readn(s, (char *)indices, 4*n) != 4*n) return 1;
00227   if (imd_readn(s, (char *)forces, 12*n) != 12*n) return 1;
00228   return 0;
00229 }

int imd_send_energies ( void *  ,
const IMDEnergies  
)

Definition at line 159 of file imd.C.

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

Referenced by GlobalMasterIMD::send_energies().

00159                                                             {
00160   int32 size = HEADERSIZE+sizeof(IMDEnergies);
00161   char *buf = new char[size];
00162   fill_header((IMDheader *)buf, IMD_ENERGIES, 1);
00163   memcpy((void *)(buf+HEADERSIZE), (const void *)energies, sizeof(IMDEnergies));
00164   int rc = (imd_writen(s, buf, size) != size);
00165   delete [] buf;
00166   return rc;
00167 }

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

Definition at line 169 of file imd.C.

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

Referenced by GlobalMasterIMD::send_fcoords().

00169                                                             {
00170   int32 size = HEADERSIZE+12*n;
00171   char *buf = new char[size];
00172   fill_header((IMDheader *)buf, IMD_FCOORDS, n);
00173   memcpy((void *)(buf+HEADERSIZE), (const void *)coords, 12*n);
00174   int rc = (imd_writen(s, buf, size) != size);
00175   delete [] buf;
00176   return rc;
00177 }

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

Definition at line 148 of file imd.C.

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

00148                                                                               {
00149   int32 size = HEADERSIZE+16*n;
00150   char *buf = new char[size]; 
00151   fill_header((IMDheader *)buf, IMD_MDCOMM, n);
00152   memcpy((void *)(buf+HEADERSIZE), (const void *)indices, 4*n);
00153   memcpy((void *)(buf+HEADERSIZE+4*n), (const void *)forces, 12*n);
00154   int rc = (imd_writen(s, buf, size) != size);
00155   delete [] buf;
00156   return rc;
00157 }

int imd_trate ( void *  ,
int32   
)

Definition at line 140 of file imd.C.

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

00140                                    {
00141   IMDheader header;
00142   fill_header(&header, IMD_TRATE, rate);
00143   return (imd_writen(s, (char *)&header, HEADERSIZE) != HEADERSIZE);
00144 }


Generated on Sat Nov 18 01:17:17 2017 for NAMD by  doxygen 1.4.7