NAMD
Classes | Typedefs | Enumerations | Functions
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. 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 *)
 

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.

13  {
15  IMD_ENERGIES,
16  IMD_FCOORDS,
17  IMD_GO,
19  IMD_KILL,
20  IMD_MDCOMM,
21  IMD_PAUSE,
22  IMD_TRATE,
24 };
Definition: imd.h:17
Definition: imd.h:20
Definition: imd.h:22
Definition: imd.h:21
Definition: imd.h:19

Function Documentation

int imd_disconnect ( void )

Definition at line 108 of file imd.C.

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

108  {
109  IMDheader header;
110  fill_header(&header, IMD_DISCONNECT, 0);
111  return (imd_writen(s, (char *)&header, HEADERSIZE) != HEADERSIZE);
112 }
static int32 imd_writen(void *s, const char *ptr, int32 n)
Definition: imd.C:89
static void fill_header(IMDheader *header, IMDType type, int32 length)
Definition: imd.C:60
Definition: imd.C:9
#define HEADERSIZE
Definition: imd.C:14
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().

133  {
134  IMDheader header;
135  fill_header(&header, IMD_HANDSHAKE, 1);
136  header.length = IMDVERSION; // Not byteswapped!
137  return (imd_writen(s, (char *)&header, HEADERSIZE) != HEADERSIZE);
138 }
static int32 imd_writen(void *s, const char *ptr, int32 n)
Definition: imd.C:89
static void fill_header(IMDheader *header, IMDType type, int32 length)
Definition: imd.C:60
Definition: imd.C:9
#define HEADERSIZE
Definition: imd.C:14
#define IMDVERSION
Definition: imd.C:15
int32 length
Definition: imd.C:11
int imd_kill ( void )

Definition at line 120 of file imd.C.

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

120  {
121  IMDheader header;
122  fill_header(&header, IMD_KILL, 0);
123  return (imd_writen(s, (char *)&header, HEADERSIZE) != HEADERSIZE);
124 }
static int32 imd_writen(void *s, const char *ptr, int32 n)
Definition: imd.C:89
static void fill_header(IMDheader *header, IMDType type, int32 length)
Definition: imd.C:60
Definition: imd.C:9
#define HEADERSIZE
Definition: imd.C:14
Definition: imd.h:19
int imd_pause ( void )

Definition at line 114 of file imd.C.

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

114  {
115  IMDheader header;
116  fill_header(&header, IMD_PAUSE, 0);
117  return (imd_writen(s, (char *)&header, HEADERSIZE) != HEADERSIZE);
118 }
static int32 imd_writen(void *s, const char *ptr, int32 n)
Definition: imd.C:89
static void fill_header(IMDheader *header, IMDType type, int32 length)
Definition: imd.C:60
Definition: imd.C:9
#define HEADERSIZE
Definition: imd.C:14
Definition: imd.h:21
int imd_recv_energies ( void ,
IMDEnergies  
)

Definition at line 231 of file imd.C.

References imd_readn().

Referenced by GlobalMasterIMD::get_vmd_forces().

231  {
232  return (imd_readn(s, (char *)energies, sizeof(IMDEnergies))
233  != sizeof(IMDEnergies));
234 }
static int32 imd_readn(void *s, char *ptr, int32 n)
Definition: imd.C:70
int imd_recv_fcoords ( void ,
int32  ,
float *   
)

Definition at line 236 of file imd.C.

References imd_readn().

Referenced by GlobalMasterIMD::get_vmd_forces().

236  {
237  return (imd_readn(s, (char *)coords, 12*n) != 12*n);
238 }
static int32 imd_readn(void *s, char *ptr, int32 n)
Definition: imd.C:70
static float * coords
Definition: ScriptTcl.C:66
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().

191  {
192  // Wait 5 seconds for the handshake to come
193  if (vmdsock_selread(s, 5) != 1) return -1;
194 
195  // Check to see that a valid handshake was received
196  int32 buf;
197  IMDType type = imd_recv_header_nolengthswap(s, &buf);
198  if (type != IMD_HANDSHAKE) return -1;
199 
200  // Check its endianness, as well as the IMD version.
201  if (buf == IMDVERSION) {
202  if (!imd_go(s)) return 0;
203  return -1;
204  }
205  swap4((char *)&buf, 4);
206  if (buf == IMDVERSION) {
207  if (!imd_go(s)) return 1;
208  }
209 
210  // We failed to determine endianness.
211  return -1;
212 }
int vmdsock_selread(void *v, int sec)
Definition: vmdsock.C:177
static int imd_go(void *s)
Definition: imd.C:126
short int32
Definition: dumpdcd.c:24
IMDType imd_recv_header_nolengthswap(void *s, int32 *length)
Definition: imd.C:182
IMDType
Definition: imd.h:13
static void swap4(char *data, int ndata)
Definition: imd.C:17
#define IMDVERSION
Definition: imd.C:15
IMDType imd_recv_header ( void ,
int32  
)

Definition at line 214 of file imd.C.

References HEADERSIZE, IMD_IOERROR, imd_readn(), IMDheader::length, swap_header(), and IMDheader::type.

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

214  {
215  IMDheader header;
216  if (imd_readn(s, (char *)&header, HEADERSIZE) != HEADERSIZE)
217  return IMD_IOERROR;
218  int i;
219  char *ch = (char*)(&header);
220  swap_header(&header);
221  *length = header.length;
222  return IMDType(header.type);
223 }
Definition: imd.C:9
#define HEADERSIZE
Definition: imd.C:14
IMDType
Definition: imd.h:13
static void swap_header(IMDheader *header)
Definition: imd.C:65
static int32 imd_readn(void *s, char *ptr, int32 n)
Definition: imd.C:70
int32 length
Definition: imd.C:11
int32 type
Definition: imd.C:10
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().

225  {
226  if (imd_readn(s, (char *)indices, 4*n) != 4*n) return 1;
227  if (imd_readn(s, (char *)forces, 12*n) != 12*n) return 1;
228  return 0;
229 }
static __thread float4 * forces
static int32 imd_readn(void *s, char *ptr, int32 n)
Definition: imd.C:70
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().

159  {
160  int32 size = HEADERSIZE+sizeof(IMDEnergies);
161  char *buf = new char[size];
162  fill_header((IMDheader *)buf, IMD_ENERGIES, 1);
163  memcpy((void *)(buf+HEADERSIZE), (const void *)energies, sizeof(IMDEnergies));
164  int rc = (imd_writen(s, buf, size) != size);
165  delete [] buf;
166  return rc;
167 }
static int32 imd_writen(void *s, const char *ptr, int32 n)
Definition: imd.C:89
static void fill_header(IMDheader *header, IMDType type, int32 length)
Definition: imd.C:60
Definition: imd.C:9
short int32
Definition: dumpdcd.c:24
#define HEADERSIZE
Definition: imd.C:14
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().

169  {
170  int32 size = HEADERSIZE+12*n;
171  char *buf = new char[size];
172  fill_header((IMDheader *)buf, IMD_FCOORDS, n);
173  memcpy((void *)(buf+HEADERSIZE), (const void *)coords, 12*n);
174  int rc = (imd_writen(s, buf, size) != size);
175  delete [] buf;
176  return rc;
177 }
static int32 imd_writen(void *s, const char *ptr, int32 n)
Definition: imd.C:89
static void fill_header(IMDheader *header, IMDType type, int32 length)
Definition: imd.C:60
Definition: imd.C:9
short int32
Definition: dumpdcd.c:24
#define HEADERSIZE
Definition: imd.C:14
static float * coords
Definition: ScriptTcl.C:66
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().

148  {
149  int32 size = HEADERSIZE+16*n;
150  char *buf = new char[size];
151  fill_header((IMDheader *)buf, IMD_MDCOMM, n);
152  memcpy((void *)(buf+HEADERSIZE), (const void *)indices, 4*n);
153  memcpy((void *)(buf+HEADERSIZE+4*n), (const void *)forces, 12*n);
154  int rc = (imd_writen(s, buf, size) != size);
155  delete [] buf;
156  return rc;
157 }
static int32 imd_writen(void *s, const char *ptr, int32 n)
Definition: imd.C:89
static void fill_header(IMDheader *header, IMDType type, int32 length)
Definition: imd.C:60
Definition: imd.C:9
short int32
Definition: dumpdcd.c:24
static __thread float4 * forces
#define HEADERSIZE
Definition: imd.C:14
Definition: imd.h:20
int imd_trate ( void ,
int32   
)

Definition at line 140 of file imd.C.

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

140  {
141  IMDheader header;
142  fill_header(&header, IMD_TRATE, rate);
143  return (imd_writen(s, (char *)&header, HEADERSIZE) != HEADERSIZE);
144 }
static int32 imd_writen(void *s, const char *ptr, int32 n)
Definition: imd.C:89
static void fill_header(IMDheader *header, IMDType type, int32 length)
Definition: imd.C:60
Definition: imd.C:9
#define HEADERSIZE
Definition: imd.C:14
Definition: imd.h:22