Main Page   Namespace List   Class Hierarchy   Alphabetical List   Compound List   File List   Namespace Members   Compound Members   File Members   Related Pages  

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)


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.


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.


Generated on Tue Jan 21 02:56:29 2020 for VMD Plugins (current) by doxygen1.2.14 written by Dimitri van Heesch, © 1997-2002