---

dlpolyplugin.c File Reference

#include "largefiles.h"
#include <stdio.h>
#include <stdlib.h>
#include <string.h>
#include <ctype.h>
#include "molfile_plugin.h"

Go to the source code of this file.

Compounds
struct	dlpolydata
Defines
#define	M_PI_2   1.57079632679489661922
Functions
void *	open_dlpoly_read (const char *filename, const char *filetype, int *natoms)
int	read_dlpoly_structure (void *mydata, int *optflags, molfile_atom_t *atoms)
int	read_dlpoly_timestep (void *mydata, int natoms, molfile_timestep_t *ts)
void	close_dlpoly_read (void *mydata)
VMDPLUGIN_API int	VMDPLUGIN_init ()
VMDPLUGIN_API int	VMDPLUGIN_register (void *v, vmdplugin_register_cb cb)
VMDPLUGIN_API int	VMDPLUGIN_fini ()
Variables
molfile_plugin_t	dlpolyplugin

---

Define Documentation

#define M_PI_2   1.57079632679489661922

Definition at line 34 of file dlpolyplugin.c.

---

Function Documentation

void close_dlpoly_read (  void *    mydata )  [static]

Definition at line 306 of file dlpolyplugin.c. References dlpolydata::file, and dlpolydata::file_name.

void* open_dlpoly_read (  const char *    filename, const char *    filetype, int *    natoms )  [static]

Definition at line 45 of file dlpolyplugin.c. References dlpolydata::cellwarnflag, dlpolydata::file, dlpolydata::file_name, and dlpolydata::numatoms.

int read_dlpoly_structure (  void *    mydata, int *    optflags, molfile_atom_t *    atoms )  [static]

Definition at line 97 of file dlpolyplugin.c. References molfile_atom_t::chain, dlpolydata::file, MOLFILE_EOF, MOLFILE_ERROR, MOLFILE_SUCCESS, molfile_atom_t::name, dlpolydata::numatoms, molfile_atom_t::resid, molfile_atom_t::resname, molfile_atom_t::segid, and molfile_atom_t::type.

int read_dlpoly_timestep (  void *    mydata, int    natoms, molfile_timestep_t *    ts )  [static]

Definition at line 193 of file dlpolyplugin.c. References molfile_timestep_t::A, molfile_timestep_t::B, molfile_timestep_t::C, dlpolydata::cellwarnflag, molfile_timestep_t::coords, dlpolydata::file, MOLFILE_EOF, MOLFILE_ERROR, and MOLFILE_SUCCESS.

VMDPLUGIN_API int VMDPLUGIN_fini (  void    )

Definition at line 348 of file dlpolyplugin.c. References VMDPLUGIN_API, and VMDPLUGIN_SUCCESS.

VMDPLUGIN_API int VMDPLUGIN_init (  void    )

Definition at line 339 of file dlpolyplugin.c. References VMDPLUGIN_API, and VMDPLUGIN_SUCCESS.

VMDPLUGIN_API int VMDPLUGIN_register (  void *    v, vmdplugin_register_cb    cb )

Definition at line 343 of file dlpolyplugin.c. References VMDPLUGIN_API, vmdplugin_register_cb, and VMDPLUGIN_SUCCESS.

---

Variable Documentation

molfile_plugin_t dlpolyplugin [static]

Initial value: { vmdplugin_ABIVERSION, MOLFILE_PLUGIN_TYPE, "dlpolyhist", "DLPOLY History", "John E. Stone", 0, 3, VMDPLUGIN_THREADSAFE, "dlpolyhist", open_dlpoly_read, read_dlpoly_structure, 0, read_dlpoly_timestep, close_dlpoly_read, 0, 0, 0, 0, 0, 0, 0 } Definition at line 315 of file dlpolyplugin.c.

---