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tinkerplugin.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	tinkerdata
Functions
void *	open_tinker_read (const char *filename, const char *filetype, int *natoms)
int	read_tinker_structure (void *mydata, int *optflags, molfile_atom_t *atoms)
int	read_tinker_timestep (void *mydata, int natoms, molfile_timestep_t *ts)
void	close_tinker_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	plugin

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Function Documentation

void close_tinker_read (  void *    mydata )  [static]

Definition at line 182 of file tinkerplugin.c. References tinkerdata::file, and tinkerdata::file_name. Referenced by VMDPLUGIN_init.

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

Definition at line 47 of file tinkerplugin.c. References tinkerdata::file, tinkerdata::file_name, and tinkerdata::numatoms. Referenced by VMDPLUGIN_init.

int read_tinker_structure (  void *    mydata, int *    optflags, molfile_atom_t *    atoms )  [static]

Definition at line 73 of file tinkerplugin.c. References molfile_atom_t::chain, tinkerdata::file, tinkerdata::file_name, MOLFILE_ERROR, MOLFILE_NOOPTIONS, molfile_atom_t::name, tinkerdata::numatoms, molfile_atom_t::resid, molfile_atom_t::resname, molfile_atom_t::segid, and molfile_atom_t::type. Referenced by VMDPLUGIN_init.

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

Definition at line 123 of file tinkerplugin.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, tinkerdata::file, tinkerdata::file_name, molfile_timestep_t::gamma, and MOLFILE_ERROR. Referenced by VMDPLUGIN_init.

VMDPLUGIN_API int VMDPLUGIN_fini (  void    )

Definition at line 215 of file tinkerplugin.c. References VMDPLUGIN_API, and VMDPLUGIN_SUCCESS.

VMDPLUGIN_API int VMDPLUGIN_init (  void    )

Definition at line 192 of file tinkerplugin.c. References molfile_plugin_t::close_file_read, close_tinker_read, molfile_plugin_t::filename_extension, MOLFILE_PLUGIN_TYPE, molfile_plugin_t::open_file_read, open_tinker_read, molfile_plugin_t::read_next_timestep, molfile_plugin_t::read_structure, read_tinker_structure, read_tinker_timestep, vmdplugin_ABIVERSION, VMDPLUGIN_API, VMDPLUGIN_SUCCESS, and VMDPLUGIN_THREADSAFE.

VMDPLUGIN_API int VMDPLUGIN_register (  void *    v, vmdplugin_register_cb    cb )

Definition at line 210 of file tinkerplugin.c. References VMDPLUGIN_API, vmdplugin_register_cb, and VMDPLUGIN_SUCCESS.

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Variable Documentation

molfile_plugin_t plugin [static]

Definition at line 190 of file tinkerplugin.c.

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