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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)
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.


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