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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

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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.

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Variable Documentation

molfile_plugin_t plugin [static]

Definition at line 112 of file mmcif.C.

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