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mmcif.C File Reference

#include <stdio.h>
#include <stdlib.h>
#include <string.h>
#include <ctype.h>
#include "molfile_plugin.h"
#include "periodic_table.h"

Go to the source code of this file.

Compounds

struct  mmcifdata

Functions

void * open_mmcif_read (const char *filename, const char *filetype, int *natoms)
int read_mmcif_structure (void *mydata, int *optflags, molfile_atom_t *atoms)
int read_mmcif_timestep (void *mydata, int natoms, molfile_timestep_t *ts)
void close_mmcif_read (void *mydata)
void * open_mmcif_write (const char *filename, const char *filetype, int natoms)
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 plugin


Function Documentation

void close_mmcif_read void *    mydata [static]
 

Definition at line 86 of file mmcif.C.

References mmcifdata::file.

Referenced by VMDPLUGIN_init.

void* open_mmcif_read const char *    filename,
const char *    filetype,
int *    natoms
[static]
 

Definition at line 67 of file mmcif.C.

Referenced by VMDPLUGIN_init.

void* open_mmcif_write const char *    filename,
const char *    filetype,
int    natoms
[static]
 

Definition at line 93 of file mmcif.C.

References mmcifdata::file, and mmcifdata::numatoms.

int read_mmcif_structure void *    mydata,
int *    optflags,
molfile_atom_t   atoms
[static]
 

Definition at line 73 of file mmcif.C.

References MOLFILE_ERROR.

Referenced by VMDPLUGIN_init.

int read_mmcif_timestep void *    mydata,
int    natoms,
molfile_timestep_t   ts
[static]
 

Definition at line 79 of file mmcif.C.

References MOLFILE_ERROR.

Referenced by VMDPLUGIN_init.

VMDPLUGIN_API int VMDPLUGIN_fini void   
 

Definition at line 137 of file mmcif.C.

References VMDPLUGIN_API, and VMDPLUGIN_SUCCESS.

VMDPLUGIN_API int VMDPLUGIN_init void   
 

Definition at line 114 of file mmcif.C.

References molfile_plugin_t::close_file_read, close_mmcif_read, molfile_plugin_t::filename_extension, MOLFILE_PLUGIN_TYPE, molfile_plugin_t::open_file_read, open_mmcif_read, read_mmcif_structure, read_mmcif_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 132 of file mmcif.C.

References VMDPLUGIN_API, vmdplugin_register_cb, and VMDPLUGIN_SUCCESS.


Variable Documentation

molfile_plugin_t plugin [static]
 

Definition at line 112 of file mmcif.C.


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