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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

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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.

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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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