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moldenplugin.c File Reference

#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  moldendata

Functions

void eatline (FILE *fd)
void * open_molden_read (const char *filename, const char *filetype, int *natoms)
int read_molden_structure (void *mydata, int *optflags, molfile_atom_t *atoms)
int read_next_timestep (void *mydata, int natoms, molfile_timestep_t *ts)
void close_molden_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 moldenplugin


Function Documentation

void close_molden_read void *    mydata [static]
 

Definition at line 322 of file moldenplugin.c.

References moldendata::file, and moldendata::file_name.

void eatline FILE *    fd [static]
 

Definition at line 44 of file moldenplugin.c.

void* open_molden_read const char *    filename,
const char *    filetype,
int *    natoms
[static]
 

Definition at line 51 of file moldenplugin.c.

References eatline, moldendata::file, moldendata::file_name, moldendata::numatoms, and moldendata::trajectory.

int read_molden_structure void *    mydata,
int *    optflags,
molfile_atom_t   atoms
[static]
 

Definition at line 153 of file moldenplugin.c.

References molfile_atom_t::chain, eatline, moldendata::file, MOLFILE_ERROR, MOLFILE_NOOPTIONS, MOLFILE_SUCCESS, molfile_atom_t::name, moldendata::numatoms, molfile_atom_t::resid, molfile_atom_t::resname, molfile_atom_t::segid, moldendata::trajectory, and molfile_atom_t::type.

int read_next_timestep void *    mydata,
int    natoms,
molfile_timestep_t   ts
[static]
 

Definition at line 271 of file moldenplugin.c.

References molfile_timestep_t::coords, eatline, moldendata::file, MOLFILE_ERROR, MOLFILE_SUCCESS, and moldendata::numatoms.

VMDPLUGIN_API int VMDPLUGIN_fini void   
 

Definition at line 361 of file moldenplugin.c.

References VMDPLUGIN_API, and VMDPLUGIN_SUCCESS.

VMDPLUGIN_API int VMDPLUGIN_init void   
 

Definition at line 352 of file moldenplugin.c.

References VMDPLUGIN_API, and VMDPLUGIN_SUCCESS.

VMDPLUGIN_API int VMDPLUGIN_register void *    v,
vmdplugin_register_cb    cb
 

Definition at line 356 of file moldenplugin.c.

References VMDPLUGIN_API, vmdplugin_register_cb, and VMDPLUGIN_SUCCESS.


Variable Documentation

molfile_plugin_t moldenplugin [static]
 

Initial value:

 {
  vmdplugin_ABIVERSION,
  MOLFILE_PLUGIN_TYPE,                         
  "molden",                                    
  "Molden",                                    
  "Markus Dittrich",                           
  0,                                           
  1,                                           
  VMDPLUGIN_THREADSAFE,                        
  "molden",
  open_molden_read,
  read_molden_structure,
  0,
  read_next_timestep, 
  close_molden_read,
  0,
  0,
  0, 
  0,
}

Definition at line 331 of file moldenplugin.c.


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