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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_register (void *v, vmdplugin_register_cb cb)
VMDPLUGIN_API int VMDPLUGIN_fini (void)

Variables

molfile_plugin_t plugin
molfile_plugin_t crdboxplugin


Function Documentation

void close_crd_read void *    mydata [static]
 

Definition at line 125 of file crdplugin.c.

References crddata::file.

Referenced by VMDPLUGIN_init.

void close_crd_write void *    v [static]
 

Definition at line 174 of file crdplugin.c.

References crddata::file.

Referenced by VMDPLUGIN_init.

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.

Referenced by VMDPLUGIN_init.

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.

Referenced by VMDPLUGIN_init.

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, and MOLFILE_ERROR.

Referenced by VMDPLUGIN_init.

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 185 of file crdplugin.c.

References close_crd_read, close_crd_write, molfile_plugin_t::close_file_read, molfile_plugin_t::close_file_write, molfile_plugin_t::filename_extension, MOLFILE_PLUGIN_TYPE, open_crd_read, open_crd_write, molfile_plugin_t::open_file_read, molfile_plugin_t::open_file_write, read_crd_timestep, molfile_plugin_t::read_next_timestep, vmdplugin_ABIVERSION, VMDPLUGIN_API, VMDPLUGIN_SUCCESS, VMDPLUGIN_THREADSAFE, write_crd_timestep, and molfile_plugin_t::write_timestep.

VMDPLUGIN_API int VMDPLUGIN_register void *    v,
vmdplugin_register_cb    cb
 

Definition at line 210 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, and crddata::numatoms.

Referenced by VMDPLUGIN_init.


Variable Documentation

molfile_plugin_t crdboxplugin [static]
 

Definition at line 183 of file crdplugin.c.

molfile_plugin_t plugin [static]
 

Definition at line 182 of file crdplugin.c.


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