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corplugin.c File Reference

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

Go to the source code of this file.

Compounds
struct	cordata
Defines
#define	COR_RECORD_LENGTH   141
Functions
void	strip_whitespace (char *str, int n)
char *	corgets (char *s, int n, FILE *stream)
FILE *	open_cor_file (const char *fname, int *natom, int *iofoext)
int	get_cor_atom (FILE *f, char *atomName, char *atomType, char *resName, char *segName, int *resId, int ioext)
void *	open_cor_read (const char *path, const char *filetype, int *natoms)
int	read_cor_structure (void *v, int *optflags, molfile_atom_t *atoms)
int	read_cor_timestep (void *v, int natoms, molfile_timestep_t *ts)
void	close_cor_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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Define Documentation

#define COR_RECORD_LENGTH   141

Definition at line 31 of file corplugin.c. Referenced by get_cor_atom, open_cor_file, and read_cor_timestep.

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Function Documentation

void close_cor_read (  void *    mydata )  [static]

Definition at line 333 of file corplugin.c. References cordata::file.

char* corgets (  char *    s, int    n, FILE *    stream )  [static]

Definition at line 62 of file corplugin.c. Referenced by get_cor_atom, and read_cor_timestep.

int get_cor_atom (  FILE *    f, char *    atomName, char *    atomType, char *    resName, char *    segName, int *    resId, int    ioext )  [static]

Definition at line 138 of file corplugin.c. References COR_RECORD_LENGTH, corgets, and strip_whitespace. Referenced by read_cor_structure.

FILE* open_cor_file (  const char *    fname, int *    natom, int *    iofoext )  [static]

Definition at line 86 of file corplugin.c. References COR_RECORD_LENGTH, and MOLFILE_NUMATOMS_NONE. Referenced by open_cor_read.

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

Definition at line 233 of file corplugin.c. References cordata::file, cordata::iofoext, cordata::numatoms, and open_cor_file.

int read_cor_structure (  void *    v, int *    optflags, molfile_atom_t *    atoms )  [static]

Definition at line 250 of file corplugin.c. References molfile_atom_t::chain, cordata::file, get_cor_atom, cordata::iofoext, MOLFILE_ERROR, MOLFILE_NOOPTIONS, MOLFILE_SUCCESS, molfile_atom_t::name, cordata::numatoms, molfile_atom_t::resid, molfile_atom_t::resname, molfile_atom_t::segid, and molfile_atom_t::type.

int read_cor_timestep (  void *    v, int    natoms, molfile_timestep_t *    ts )  [static]

Definition at line 273 of file corplugin.c. References molfile_timestep_t::coords, COR_RECORD_LENGTH, corgets, cordata::file, cordata::iofoext, MOLFILE_ERROR, and MOLFILE_SUCCESS.

void strip_whitespace (  char *    str, int    n )  [static]

Definition at line 34 of file corplugin.c. Referenced by get_cor_atom.

VMDPLUGIN_API int VMDPLUGIN_fini (  void    )

Definition at line 371 of file corplugin.c. References VMDPLUGIN_API, and VMDPLUGIN_SUCCESS.

VMDPLUGIN_API int VMDPLUGIN_init (  void    )

Definition at line 362 of file corplugin.c. References VMDPLUGIN_API, and VMDPLUGIN_SUCCESS.

VMDPLUGIN_API int VMDPLUGIN_register (  void *    v, vmdplugin_register_cb    cb )

Definition at line 366 of file corplugin.c. References VMDPLUGIN_API, vmdplugin_register_cb, and VMDPLUGIN_SUCCESS.

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Variable Documentation

molfile_plugin_t plugin [static]

Initial value: { vmdplugin_ABIVERSION, MOLFILE_PLUGIN_TYPE, "cor", "CHARMM Coordinates", "Eamon Caddigan, John Stone", 0, 7, VMDPLUGIN_THREADSAFE, "cor", open_cor_read, read_cor_structure, 0, read_cor_timestep, close_cor_read } Definition at line 345 of file corplugin.c.

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