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lammpsplugin.c File Reference

#include "largefiles.h"
#include <stdio.h>
#include <stdlib.h>
#include <string.h>
#include <ctype.h>
#include <math.h>
#include "molfile_plugin.h"

Go to the source code of this file.

Compounds
struct	lammpsdata
Defines
#define	M_PI_2   1.57079632679489661922
#define	FileDesc   FILE*
#define	myFopen   fopen
#define	myClose   fclose
#define	myFgets(buf, size, fd)   fgets(buf,size,fd)
#define	myRewind   rewind
Functions
char *	find_next_item (FileDesc fd, char *szItem)
int	find_item (FileDesc fd, char *szItem)
void *	open_lammps_read (const char *filename, const char *filetype, int *natoms)
int	read_lammps_structure (void *mydata, int *optflags, molfile_atom_t *atoms)
int	read_lammps_timestep (void *mydata, int natoms, molfile_timestep_t *ts)
void	close_lammps_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	plugin

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Define Documentation

#define FileDesc   FILE*

Definition at line 56 of file lammpsplugin.c. Referenced by find_item, find_next_item, and open_lammps_read.

#define M_PI_2   1.57079632679489661922

Definition at line 44 of file lammpsplugin.c.

#define myClose   fclose

Definition at line 58 of file lammpsplugin.c. Referenced by close_lammps_read.

#define myFgets (  buf, size, fd    )     fgets(buf,size,fd)

Definition at line 59 of file lammpsplugin.c. Referenced by find_next_item, open_lammps_read, read_lammps_structure, and read_lammps_timestep.

#define myFopen   fopen

Definition at line 57 of file lammpsplugin.c. Referenced by open_lammps_read.

#define myRewind   rewind

Definition at line 60 of file lammpsplugin.c. Referenced by open_lammps_read, and read_lammps_structure.

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Function Documentation

void close_lammps_read (  void *    mydata )  [static]

Definition at line 313 of file lammpsplugin.c. References lammpsdata::file, lammpsdata::file_name, and myClose. Referenced by VMDPLUGIN_init.

int find_item (  FileDesc    fd, char *    szItem )  [static]

Definition at line 95 of file lammpsplugin.c. References FileDesc, and find_next_item. Referenced by open_lammps_read, read_lammps_structure, and read_lammps_timestep.

char* find_next_item (  FileDesc    fd, char *    szItem )  [static]

Definition at line 70 of file lammpsplugin.c. References FileDesc, and myFgets. Referenced by find_item.

void* open_lammps_read (  const char *    filename, const char *    filetype, int *    natoms )  [static]

Definition at line 105 of file lammpsplugin.c. References lammpsdata::file, lammpsdata::file_name, FileDesc, find_item, myFgets, myFopen, myRewind, lammpsdata::numatoms, and lammpsdata::scaled_data. Referenced by VMDPLUGIN_init.

int read_lammps_structure (  void *    mydata, int *    optflags, molfile_atom_t *    atoms )  [static]

Definition at line 138 of file lammpsplugin.c. References lammpsdata::file, lammpsdata::file_name, find_item, MOLFILE_ERROR, MOLFILE_NOOPTIONS, MOLFILE_SUCCESS, myFgets, myRewind, molfile_atom_t::name, name, lammpsdata::numatoms, molfile_atom_t::resid, lammpsdata::scaled_data, and molfile_atom_t::type. Referenced by VMDPLUGIN_init.

int read_lammps_timestep (  void *    mydata, int    natoms, molfile_timestep_t *    ts )  [static]

Definition at line 212 of file lammpsplugin.c. References molfile_timestep_t::A, molfile_timestep_t::alpha, molfile_timestep_t::B, molfile_timestep_t::beta, molfile_timestep_t::C, molfile_timestep_t::coords, lammpsdata::file, lammpsdata::file_name, find_item, molfile_timestep_t::gamma, MOLFILE_ERROR, MOLFILE_SUCCESS, myFgets, and lammpsdata::scaled_data. Referenced by VMDPLUGIN_init.

VMDPLUGIN_API int VMDPLUGIN_fini (  void    )

Definition at line 351 of file lammpsplugin.c. References VMDPLUGIN_API, and VMDPLUGIN_SUCCESS.

VMDPLUGIN_API int VMDPLUGIN_init (  void    )

Definition at line 324 of file lammpsplugin.c. References molfile_plugin_t::close_file_read, close_lammps_read, molfile_plugin_t::filename_extension, MOLFILE_PLUGIN_TYPE, molfile_plugin_t::open_file_read, open_lammps_read, read_lammps_structure, read_lammps_timestep, molfile_plugin_t::read_next_timestep, molfile_plugin_t::read_structure, vmdplugin_ABIVERSION, VMDPLUGIN_API, VMDPLUGIN_SUCCESS, and VMDPLUGIN_THREADSAFE.

VMDPLUGIN_API int VMDPLUGIN_register (  void *    v, vmdplugin_register_cb    cb )

Definition at line 346 of file lammpsplugin.c. References VMDPLUGIN_API, vmdplugin_register_cb, and VMDPLUGIN_SUCCESS.

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Variable Documentation

molfile_plugin_t plugin [static]

Definition at line 322 of file lammpsplugin.c.

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