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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


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 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.


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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