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parm7plugin.C File Reference

#include <string.h>
#include "molfile_plugin.h"
#include "ReadPARM7.h"

Go to the source code of this file.

Compounds
struct	parmdata
Functions
void *	open_parm7_read (const char *filename, const char *, int *natoms)
int	read_parm7_structure (void *mydata, int *optflags, molfile_atom_t *atoms)
int	read_parm7_bonds (void *v, int *nbonds, int **fromptr, int **toptr, float **bondorderptr)
void	close_parm7_read (void *mydata)
VMDPLUGIN_API int	VMDPLUGIN_init ()
VMDPLUGIN_API int	VMDPLUGIN_fini ()
VMDPLUGIN_API int	VMDPLUGIN_register (void *v, vmdplugin_register_cb cb)
Variables
molfile_plugin_t	parm7plugin

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Function Documentation

void close_parm7_read (  void *    mydata )  [static]

Definition at line 121 of file parm7plugin.C. References close_parm7_file, parmdata::fd, parmdata::from, parmdata::popn, parmdata::prm, and parmdata::to.

void* open_parm7_read (  const char *    filename, const char *   , int *    natoms )  [static]

Definition at line 30 of file parm7plugin.C. References close_parm7_file, parmdata::fd, parmdata::from, parm::Natom, parm::Nbona, parm::Nbonh, open_parm7_file, parmdata::popn, parmdata::prm, read_parm7_header, and parmdata::to.

int read_parm7_bonds (  void *    v, int *    nbonds, int **    fromptr, int **    toptr, float **    bondorderptr )  [static]

Definition at line 112 of file parm7plugin.C. References parmdata::from, MOLFILE_SUCCESS, parmdata::nbonds, and parmdata::to.

int read_parm7_structure (  void *    mydata, int *    optflags, molfile_atom_t *    atoms )  [static]

Definition at line 54 of file parm7plugin.C. References molfile_atom_t::chain, parmdata::fd, parmdata::from, MOLFILE_CHARGE, MOLFILE_MASS, MOLFILE_SUCCESS, parm::Natom, parm::Nbona, parmdata::nbonds, parm::Nbonh, parm::Nres, parse_parm7_atoms, parse_parm7_atype, parse_parm7_bonds, parse_parm7_charge, parse_parm7_mass, parse_parm7_resnames, parse_parm7_respointers, parmdata::prm, molfile_atom_t::segid, and parmdata::to.

VMDPLUGIN_API int VMDPLUGIN_fini (  void    )

Definition at line 158 of file parm7plugin.C. References VMDPLUGIN_API, and VMDPLUGIN_SUCCESS.

VMDPLUGIN_API int VMDPLUGIN_init (  void    )

Definition at line 155 of file parm7plugin.C. References VMDPLUGIN_API, and VMDPLUGIN_SUCCESS.

VMDPLUGIN_API int VMDPLUGIN_register (  void *    v, vmdplugin_register_cb    cb )

Definition at line 161 of file parm7plugin.C. References VMDPLUGIN_API, vmdplugin_register_cb, and VMDPLUGIN_SUCCESS.

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Variable Documentation

molfile_plugin_t parm7plugin [static]

Initial value: { vmdplugin_ABIVERSION, MOLFILE_PLUGIN_TYPE, "parm7", "AMBER7 Parm", "Brian Bennion, Justin Gullingsrud, John E. Stone", 0, 7, VMDPLUGIN_THREADUNSAFE, "prmtop,parm7", open_parm7_read, read_parm7_structure, read_parm7_bonds, 0, close_parm7_read, 0, 0, 0, 0, } Definition at line 134 of file parm7plugin.C.

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