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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, int **bondtype, int *nbondtypes, char ***bondtypename)
void close_parm7_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


Function Documentation

void close_parm7_read void *    mydata [static]
 

Definition at line 137 of file parm7plugin.C.

References close_parm7_file, parmdata::fd, parmdata::from, parmdata::popn, parmdata::prm, and parmdata::to.

Referenced by VMDPLUGIN_init.

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.

Referenced by VMDPLUGIN_init.

int read_parm7_bonds void *    v,
int *    nbonds,
int **    fromptr,
int **    toptr,
float **    bondorderptr,
int **    bondtype,
int *    nbondtypes,
char ***    bondtypename
[static]
 

Definition at line 123 of file parm7plugin.C.

References parmdata::from, parmdata::nbonds, and parmdata::to.

Referenced by VMDPLUGIN_init.

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_ATOMICNUMBER, MOLFILE_CHARGE, MOLFILE_MASS, MOLFILE_NOOPTIONS, parm::Natom, parm::Nbona, parmdata::nbonds, parm::Nbonh, parm::Nres, parse_parm7_atomicnumber, 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.

Referenced by VMDPLUGIN_init.

VMDPLUGIN_API int VMDPLUGIN_fini void   
 

Definition at line 175 of file parm7plugin.C.

References VMDPLUGIN_API, and VMDPLUGIN_SUCCESS.

VMDPLUGIN_API int VMDPLUGIN_init void   
 

Definition at line 152 of file parm7plugin.C.

References molfile_plugin_t::close_file_read, close_parm7_read, molfile_plugin_t::filename_extension, MOLFILE_PLUGIN_TYPE, molfile_plugin_t::open_file_read, open_parm7_read, molfile_plugin_t::read_bonds, read_parm7_bonds, read_parm7_structure, molfile_plugin_t::read_structure, vmdplugin_ABIVERSION, VMDPLUGIN_API, VMDPLUGIN_SUCCESS, and VMDPLUGIN_THREADUNSAFE.

VMDPLUGIN_API int VMDPLUGIN_register void *    v,
vmdplugin_register_cb    cb
 

Definition at line 170 of file parm7plugin.C.

References VMDPLUGIN_API, vmdplugin_register_cb, and VMDPLUGIN_SUCCESS.


Variable Documentation

molfile_plugin_t plugin [static]
 

Definition at line 150 of file parm7plugin.C.


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