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mdfplugin.C File Reference

#include "molfile_plugin.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 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)
void close_mdf_read (void *v)
VMDPLUGIN_API int VMDPLUGIN_init (void)
VMDPLUGIN_API int VMDPLUGIN_fini (void)
VMDPLUGIN_API int VMDPLUGIN_register (void *v, vmdplugin_register_cb cb)

Variables

molfile_plugin_t plugin


Define Documentation

#define LINESIZE   256
 

Definition at line 48 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 49 of file mdfplugin.C.

Referenced by get_mdf_bonds, and read_mdf_bonds.

#define VMDPLUGIN_STATIC
 

Definition at line 36 of file mdfplugin.C.


Function Documentation

void close_mdf_read void *    v [static]
 

Definition at line 361 of file mdfplugin.C.

References mdfdata::file, mdfdata::from, and mdfdata::to.

Referenced by VMDPLUGIN_register.

int count_mdf_bonds const char *    line [static]
 

Definition at line 119 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 82 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 138 of file mdfplugin.C.

References mdfdata::file, mdfdata::from, LINESIZE, mdfdata::mol_data_location, mdfdata::natoms, mdfdata::nmols, and mdfdata::to.

Referenced by VMDPLUGIN_register.

int read_mdf_bonds void *    v,
int *    nbonds,
int **    from_data,
int **    to_data,
float **    bondorderptr
[static]
 

Definition at line 240 of file mdfplugin.C.

References count_mdf_bonds, mdfdata::file, mdfdata::from, get_mdf_bonds, hash_destroy, HASH_FAIL, hash_init, hash_insert, hash_lookup, LINESIZE, mdfdata::mol_data_location, MOLFILE_ERROR, MOLFILE_SUCCESS, NAMESIZE, mdfdata::natoms, mdfdata::nmols, and mdfdata::to.

Referenced by VMDPLUGIN_register.

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

Definition at line 195 of file mdfplugin.C.

References molfile_atom_t::chain, mdfdata::file, LINESIZE, mdfdata::mol_data_location, MOLFILE_CHARGE, MOLFILE_ERROR, MOLFILE_OCCUPANCY, MOLFILE_SUCCESS, and read_mdf_structure_line.

Referenced by VMDPLUGIN_register.

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

Definition at line 59 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 385 of file mdfplugin.C.

References VMDPLUGIN_API, and VMDPLUGIN_SUCCESS.

VMDPLUGIN_API int VMDPLUGIN_init void   
 

Definition at line 384 of file mdfplugin.C.

References VMDPLUGIN_API, and VMDPLUGIN_SUCCESS.

VMDPLUGIN_API int VMDPLUGIN_register void *    v,
vmdplugin_register_cb    cb
 

Definition at line 386 of file mdfplugin.C.

References molfile_plugin_t::close_file_read, close_mdf_read, molfile_plugin_t::open_file_read, open_mdf_read, molfile_plugin_t::read_bonds, read_mdf_bonds, read_mdf_structure, molfile_plugin_t::read_structure, VMDPLUGIN_API, vmdplugin_register_cb, and VMDPLUGIN_SUCCESS.


Variable Documentation

molfile_plugin_t plugin [static]
 

Initial value:

 {
  vmdplugin_ABIVERSION,   
  MOLFILE_PLUGIN_TYPE,    
  "mdf",                  
  "InsightII MDF",        
  "Eamon Caddigan",       
  0,                      
  2,                      
  VMDPLUGIN_THREADSAFE,   
  "mdf",                  
}

Definition at line 372 of file mdfplugin.C.


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