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crdplugin.c File Reference

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

Go to the source code of this file.

Compounds

struct  crddata

Functions

void * open_crd_read (const char *filename, const char *filetype, int *natoms)
int read_crd_timestep (void *mydata, int natoms, molfile_timestep_t *ts)
void close_crd_read (void *mydata)
void * open_crd_write (const char *path, const char *filetype, int natoms)
int write_crd_timestep (void *v, const molfile_timestep_t *ts)
void close_crd_write (void *v)
VMDPLUGIN_API int VMDPLUGIN_init (void)
VMDPLUGIN_API int VMDPLUGIN_fini (void)
VMDPLUGIN_API int VMDPLUGIN_register (void *v, vmdplugin_register_cb cb)

Variables

molfile_plugin_t crdplugin
molfile_plugin_t crdboxplugin

Function Documentation

void close_crd_read (  void *    mydata )  [static]
 

Definition at line 125 of file crdplugin.c.

References crddata::file.

void close_crd_write (  void *    v )  [static]
 

Definition at line 165 of file crdplugin.c.

References crddata::file.

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

Definition at line 39 of file crdplugin.c.

References crddata::file, crddata::has_box, and MOLFILE_NUMATOMS_UNKNOWN.

void* open_crd_write (  const char *    path,
const char *    filetype,
int    natoms
)  [static]
 

Definition at line 131 of file crdplugin.c.

References crddata::file, crddata::has_box, and crddata::numatoms.

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

Definition at line 69 of file crdplugin.c.

References molfile_timestep_t::A, molfile_timestep_t::alpha, molfile_timestep_t::B, molfile_timestep_t::beta, molfile_timestep_t::C, molfile_timestep_t::coords, crddata::file, molfile_timestep_t::gamma, crddata::has_box, MOLFILE_ERROR, and MOLFILE_SUCCESS.

VMDPLUGIN_API int VMDPLUGIN_fini (  void    ) 
 

Definition at line 216 of file crdplugin.c.

References VMDPLUGIN_API, and VMDPLUGIN_SUCCESS.

VMDPLUGIN_API int VMDPLUGIN_init (  void    ) 
 

Definition at line 215 of file crdplugin.c.

References VMDPLUGIN_API, and VMDPLUGIN_SUCCESS.

VMDPLUGIN_API int VMDPLUGIN_register (  void *    v,
vmdplugin_register_cb    cb
) 
 

Definition at line 217 of file crdplugin.c.

References VMDPLUGIN_API, vmdplugin_register_cb, and VMDPLUGIN_SUCCESS.

int write_crd_timestep (  void *    v,
const molfile_timestep_t *    ts
)  [static]
 

Definition at line 150 of file crdplugin.c.

References molfile_timestep_t::A, molfile_timestep_t::B, molfile_timestep_t::C, molfile_timestep_t::coords, crddata::file, crddata::has_box, MOLFILE_SUCCESS, and crddata::numatoms.

Variable Documentation

molfile_plugin_t crdboxplugin [static]
 

Initial value:

 {
  vmdplugin_ABIVERSION,                         
  MOLFILE_PLUGIN_TYPE,                          
  "crdbox",                                     
  "AMBER Coordinates with Periodic Box",        
  "Justin Gullingsrud, John E. Stone",          
  0,                                            
  4,                                            
  VMDPLUGIN_THREADSAFE,                         
  "mdcrd,crd",                                  
  open_crd_read,
  0,
  0,
  read_crd_timestep,
  close_crd_read,
  open_crd_write,
  0,
  write_crd_timestep,
  close_crd_write
}

Definition at line 194 of file crdplugin.c.

molfile_plugin_t crdplugin [static]
 

Initial value:

 {
  vmdplugin_ABIVERSION,                         
  MOLFILE_PLUGIN_TYPE,                          
  "crd",                                        
  "AMBER Coordinates",                          
  "Justin Gullingsrud, John E. Stone",          
  0,                                            
  5,                                            
  VMDPLUGIN_THREADSAFE,                         
  "mdcrd,crd",                                  
  open_crd_read,
  0,
  0,
  read_crd_timestep,
  close_crd_read,
  open_crd_write,
  0,
  write_crd_timestep,
  close_crd_write
}

Definition at line 173 of file crdplugin.c.

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