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mdfplugin.C File Reference

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

Go to the source code of this file.

Compounds
struct	mdfdata
Defines
#define	THISPLUGIN   plugin
#define	VMDPLUGIN_STATIC
#define	LINESIZE   256
#define	NAMESIZE   32
Functions
int	read_mdf_structure_line (molfile_atom_t *atom, const char *line)
int	get_mdf_bonds (char *dest, const char *src)
int	count_mdf_bonds (const char *line)
void *	open_mdf_read (const char *path, const char *filetype, int *natoms)
int	read_mdf_structure (void *v, int *optflags, molfile_atom_t *atoms)
int	read_mdf_bonds (void *v, int *nbonds, int **from_data, int **to_data, float **bondorderptr, int **bondtype, int *nbondtypes, char ***bondtypename)
void	close_mdf_read (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)

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Define Documentation

#define LINESIZE   256

Definition at line 51 of file mdfplugin.C. Referenced by count_mdf_bonds, get_mdf_bonds, open_mdf_read, read_mdf_bonds, and read_mdf_structure.

#define NAMESIZE   32

Definition at line 52 of file mdfplugin.C. Referenced by get_mdf_bonds, and read_mdf_bonds.

#define THISPLUGIN   plugin

Definition at line 36 of file mdfplugin.C.

#define VMDPLUGIN_STATIC

Definition at line 39 of file mdfplugin.C.

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Function Documentation

void close_mdf_read (  void *    v )  [static]

Definition at line 381 of file mdfplugin.C. References mdfdata::file, mdfdata::from, and mdfdata::to. Referenced by VMDPLUGIN_init.

int count_mdf_bonds (  const char *    line )  [static]

Definition at line 126 of file mdfplugin.C. References get_mdf_bonds, and LINESIZE. Referenced by read_mdf_bonds.

int get_mdf_bonds (  char *    dest, const char *    src )  [static]

Definition at line 85 of file mdfplugin.C. References LINESIZE, and NAMESIZE. Referenced by count_mdf_bonds, and read_mdf_bonds.

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

Definition at line 146 of file mdfplugin.C. References mdfdata::file, mdfdata::from, LINESIZE, mdfdata::mol_data_location, mdfdata::natoms, mdfdata::nmols, mdfdata::to, and VMDCON_INFO. Referenced by VMDPLUGIN_init.

int read_mdf_bonds (  void *    v, int *    nbonds, int **    from_data, int **    to_data, float **    bondorderptr, int **    bondtype, int *    nbondtypes, char ***    bondtypename )  [static]

Definition at line 250 of file mdfplugin.C. References count_mdf_bonds, mdfdata::file, mdfdata::from, get_mdf_bonds, hash_destroy, hash_init, hash_insert, hash_lookup, LINESIZE, mdfdata::mol_data_location, MOLFILE_ERROR, NAMESIZE, mdfdata::natoms, mdfdata::nmols, and mdfdata::to. Referenced by VMDPLUGIN_init.

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

Definition at line 204 of file mdfplugin.C. References molfile_atom_t::chain, mdfdata::file, LINESIZE, mdfdata::mol_data_location, MOLFILE_CHARGE, MOLFILE_ERROR, MOLFILE_OCCUPANCY, and read_mdf_structure_line. Referenced by VMDPLUGIN_init.

int read_mdf_structure_line (  molfile_atom_t *    atom, const char *    line )  [static]

Definition at line 62 of file mdfplugin.C. References molfile_atom_t::chain, molfile_atom_t::charge, molfile_atom_t::name, molfile_atom_t::occupancy, molfile_atom_t::resid, molfile_atom_t::resname, molfile_atom_t::segid, and molfile_atom_t::type. Referenced by read_mdf_structure.

VMDPLUGIN_API int VMDPLUGIN_fini (  void    )

Definition at line 416 of file mdfplugin.C. References VMDPLUGIN_API, and VMDPLUGIN_SUCCESS.

VMDPLUGIN_API int VMDPLUGIN_init (  void    )

Definition at line 393 of file mdfplugin.C. References close_mdf_read, MOLFILE_PLUGIN_TYPE, open_mdf_read, read_mdf_bonds, read_mdf_structure, vmdplugin_ABIVERSION, VMDPLUGIN_API, VMDPLUGIN_SUCCESS, and VMDPLUGIN_THREADSAFE.

VMDPLUGIN_API int VMDPLUGIN_register (  void *    v, vmdplugin_register_cb    cb )

Definition at line 411 of file mdfplugin.C. References VMDPLUGIN_API, vmdplugin_register_cb, and VMDPLUGIN_SUCCESS.

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