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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 plugin


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.


Enumeration Type Documentation

anonymous enum
 

Enumeration values:
PBC_ON 
PBC_OFF 
PBC_2D 

Definition at line 89 of file carplugin.c.


Function Documentation

void close_car_read void *    mydata [static]
 

Definition at line 377 of file carplugin.c.

References cardata::file.

Referenced by VMDPLUGIN_init.

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.

Referenced by VMDPLUGIN_init.

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, cardata::pbc, PBC_OFF, and read_car_structure_line.

Referenced by VMDPLUGIN_init.

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 307 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, cardata::pbc, PBC_2D, PBC_ON, and read_car_coordinates.

Referenced by VMDPLUGIN_init.

VMDPLUGIN_API int VMDPLUGIN_fini void   
 

Definition at line 412 of file carplugin.c.

References VMDPLUGIN_API, and VMDPLUGIN_SUCCESS.

VMDPLUGIN_API int VMDPLUGIN_init void   
 

Definition at line 389 of file carplugin.c.

References close_car_read, molfile_plugin_t::close_file_read, molfile_plugin_t::filename_extension, MOLFILE_PLUGIN_TYPE, open_car_read, molfile_plugin_t::open_file_read, read_car_structure, read_car_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 407 of file carplugin.c.

References VMDPLUGIN_API, vmdplugin_register_cb, and VMDPLUGIN_SUCCESS.


Variable Documentation

molfile_plugin_t plugin [static]
 

Definition at line 387 of file carplugin.c.


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