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xbgfdata Struct Reference

List of all members.

Public Attributes
FILE *	file
molfile_atom_t *	atomlist
molfile_metadata_t *	meta
int	natoms
int	nbonds
int	optflags
int	coords_read
int *	from
int *	to
float *	bondorder

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Member Data Documentation

molfile_atom_t* xbgfdata::atomlist

Definition at line 33 of file xbgfplugin.C. Referenced by close_xbgf_write, write_xbgf_structure, and write_xbgf_timestep.

float* xbgfdata::bondorder

Definition at line 37 of file xbgfplugin.C. Referenced by close_xbgf_read, close_xbgf_write, open_xbgf_read, read_xbgf_bonds, read_xbgf_bonds_aux, write_xbgf_bonds, and write_xbgf_timestep.

int xbgfdata::coords_read

Definition at line 35 of file xbgfplugin.C. Referenced by open_xbgf_read, and read_xbgf_timestep.

FILE* xbgfdata::file

Definition at line 32 of file xbgfplugin.C. Referenced by close_xbgf_read, close_xbgf_write, open_xbgf_read, open_xbgf_write, read_xbgf_bonds, read_xbgf_bonds_aux, read_xbgf_structure, read_xbgf_timestep, and write_xbgf_timestep.

int* xbgfdata::from

Definition at line 36 of file xbgfplugin.C. Referenced by close_xbgf_read, close_xbgf_write, open_xbgf_read, read_xbgf_bonds, read_xbgf_bonds_aux, write_xbgf_bonds, and write_xbgf_timestep.

molfile_metadata_t* xbgfdata::meta

Definition at line 34 of file xbgfplugin.C. Referenced by close_xbgf_read, open_xbgf_read, and read_xbgf_molecule_metadata.

int xbgfdata::natoms

Definition at line 35 of file xbgfplugin.C. Referenced by open_xbgf_read, open_xbgf_write, read_xbgf_structure, read_xbgf_timestep, write_xbgf_structure, and write_xbgf_timestep.

int xbgfdata::nbonds

Definition at line 35 of file xbgfplugin.C. Referenced by open_xbgf_read, open_xbgf_write, read_xbgf_bonds, read_xbgf_bonds_aux, write_xbgf_bonds, and write_xbgf_timestep.

int xbgfdata::optflags

Definition at line 35 of file xbgfplugin.C. Referenced by open_xbgf_read, and read_xbgf_structure.

int * xbgfdata::to

Definition at line 36 of file xbgfplugin.C. Referenced by close_xbgf_read, close_xbgf_write, open_xbgf_read, read_xbgf_bonds, read_xbgf_bonds_aux, write_xbgf_bonds, and write_xbgf_timestep.

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The documentation for this struct was generated from the following file:

• xbgfplugin.C

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