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carplugin.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	cardata
Defines
#define	LINESIZE   1024
Enumerations
enum	{ PBC_ON, PBC_OFF, PBC_2D }
Functions
int	read_car_structure_line (molfile_atom_t *atom, char *line)
int	read_car_coordinates (float *coords, char *line)
void *	open_car_read (const char *filename, const char *filetype, int *natoms)
int	read_car_structure (void *mydata, int *optflags, molfile_atom_t *atoms)
int	read_car_timestep (void *mydata, int natoms, molfile_timestep_t *ts)
void	close_car_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	carplugin

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Define Documentation

#define LINESIZE   1024

Definition at line 86 of file carplugin.c. Referenced by open_car_read, read_car_structure, read_car_structure_line, and read_car_timestep.

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Enumeration Type Documentation

anonymous enum

Enumeration values: PBC_ON  PBC_OFF  PBC_2D  Definition at line 89 of file carplugin.c.

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Function Documentation

void close_car_read (  void *    mydata )  [static]

Definition at line 369 of file carplugin.c. References cardata::file.

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

Definition at line 151 of file carplugin.c. References cardata::coord_location, cardata::eof, cardata::file, cardata::helix, LINESIZE, cardata::numatoms, cardata::pbc, PBC_2D, PBC_OFF, and PBC_ON.

int read_car_coordinates (  float *    coords, char *    line )  [static]

Definition at line 137 of file carplugin.c. Referenced by read_car_timestep.

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

Definition at line 247 of file carplugin.c. References molfile_atom_t::chain, cardata::coord_location, cardata::file, cardata::helix, LINESIZE, MOLFILE_CHARGE, MOLFILE_ERROR, MOLFILE_SUCCESS, cardata::pbc, PBC_OFF, and read_car_structure_line.

int read_car_structure_line (  molfile_atom_t *    atom, char *    line )  [static]

Definition at line 101 of file carplugin.c. References molfile_atom_t::chain, molfile_atom_t::charge, LINESIZE, molfile_atom_t::name, name, molfile_atom_t::resid, molfile_atom_t::resname, molfile_atom_t::segid, and molfile_atom_t::type. Referenced by read_car_structure.

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

Definition at line 299 of file carplugin.c. References molfile_timestep_t::A, molfile_timestep_t::alpha, molfile_timestep_t::B, molfile_timestep_t::beta, molfile_timestep_t::C, cardata::coord_location, molfile_timestep_t::coords, cardata::eof, cardata::file, molfile_timestep_t::gamma, cardata::helix, LINESIZE, MOLFILE_EOF, MOLFILE_ERROR, MOLFILE_SUCCESS, cardata::pbc, PBC_2D, PBC_ON, and read_car_coordinates.

VMDPLUGIN_API int VMDPLUGIN_fini (  void    )

Definition at line 405 of file carplugin.c. References VMDPLUGIN_API, and VMDPLUGIN_SUCCESS.

VMDPLUGIN_API int VMDPLUGIN_init (  void    )

Definition at line 396 of file carplugin.c. References VMDPLUGIN_API, and VMDPLUGIN_SUCCESS.

VMDPLUGIN_API int VMDPLUGIN_register (  void *    v, vmdplugin_register_cb    cb )

Definition at line 400 of file carplugin.c. References VMDPLUGIN_API, vmdplugin_register_cb, and VMDPLUGIN_SUCCESS.

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Variable Documentation

molfile_plugin_t carplugin [static]

Initial value: { vmdplugin_ABIVERSION, MOLFILE_PLUGIN_TYPE, "car", "InsightII car", "Eamon Caddigan", 0, 3, VMDPLUGIN_THREADSAFE, "car", open_car_read, read_car_structure, 0, read_car_timestep, close_car_read, } Definition at line 379 of file carplugin.c.

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