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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)
void *	open_dlpoly_config_read (const char *filename, const char *filetype, int *natoms)
int	read_dlpoly_structure (void *mydata, int *optflags, molfile_atom_t *atoms)
int	read_dlpoly_config_structure (void *mydata, int *optflags, molfile_atom_t *atoms)
int	read_dlpoly_timestep (void *mydata, int natoms, molfile_timestep_t *ts)
int	read_dlpoly_config_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	dlpoly2plugin
molfile_plugin_t	dlpoly3plugin
molfile_plugin_t	dlpolypluginconfig

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Define Documentation

#define M_PI_2   1.57079632679489661922

Definition at line 34 of file dlpolyplugin.c.

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Function Documentation

void close_dlpoly_read (  void *    mydata )  [static]

Definition at line 671 of file dlpolyplugin.c. References dlpolydata::file. Referenced by VMDPLUGIN_init.

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

Definition at line 106 of file dlpolyplugin.c. References dlpolydata::cellwarnflag, dlpolydata::dlpolyversion, dlpolydata::file, and dlpolydata::numatoms. Referenced by VMDPLUGIN_init.

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::dlpolyversion, dlpolydata::file, and dlpolydata::numatoms. Referenced by VMDPLUGIN_init.

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

Definition at line 275 of file dlpolyplugin.c. References molfile_atom_t::chain, dlpolydata::file, MOLFILE_EOF, MOLFILE_ERROR, MOLFILE_NOOPTIONS, molfile_atom_t::name, dlpolydata::numatoms, molfile_atom_t::resid, molfile_atom_t::resname, molfile_atom_t::segid, and molfile_atom_t::type. Referenced by VMDPLUGIN_init.

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

Definition at line 555 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, and MOLFILE_ERROR. Referenced by VMDPLUGIN_init.

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

Definition at line 147 of file dlpolyplugin.c. References molfile_atom_t::chain, dlpolydata::dlpolyversion, dlpolydata::file, MOLFILE_EOF, MOLFILE_ERROR, MOLFILE_NOOPTIONS, molfile_atom_t::name, dlpolydata::numatoms, molfile_atom_t::resid, molfile_atom_t::resname, molfile_atom_t::segid, and molfile_atom_t::type. Referenced by VMDPLUGIN_init.

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

Definition at line 370 of file dlpolyplugin.c. References molfile_timestep_t::A, molfile_timestep_t::B, molfile_timestep_t::C, dlpolydata::cellwarnflag, molfile_timestep_t::coords, dlpolydata::dlpolyversion, dlpolydata::file, MOLFILE_EOF, and MOLFILE_ERROR. Referenced by VMDPLUGIN_init.

VMDPLUGIN_API int VMDPLUGIN_fini (  void    )

Definition at line 741 of file dlpolyplugin.c. References VMDPLUGIN_API, and VMDPLUGIN_SUCCESS.

VMDPLUGIN_API int VMDPLUGIN_init (  void    )

Definition at line 684 of file dlpolyplugin.c. References close_dlpoly_read, molfile_plugin_t::close_file_read, molfile_plugin_t::filename_extension, MOLFILE_PLUGIN_TYPE, open_dlpoly_config_read, open_dlpoly_read, molfile_plugin_t::open_file_read, read_dlpoly_config_structure, read_dlpoly_config_timestep, read_dlpoly_structure, read_dlpoly_timestep, molfile_plugin_t::read_next_timestep, molfile_plugin_t::read_structure, vmdplugin_ABIVERSION, VMDPLUGIN_API, VMDPLUGIN_SUCCESS, and VMDPLUGIN_THREADSAFE.

VMDPLUGIN_API int VMDPLUGIN_register (  void *    v, vmdplugin_register_cb    cb )

Definition at line 733 of file dlpolyplugin.c. References VMDPLUGIN_API, vmdplugin_register_cb, and VMDPLUGIN_SUCCESS.

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Variable Documentation

molfile_plugin_t dlpoly2plugin [static]

Definition at line 679 of file dlpolyplugin.c.

molfile_plugin_t dlpoly3plugin [static]

Definition at line 680 of file dlpolyplugin.c.

molfile_plugin_t dlpolypluginconfig [static]

Definition at line 682 of file dlpolyplugin.c.

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