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bgfdata Struct Reference

List of all members.

Public Attributes
FILE *	file
molfile_atom_t *	atomlist
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* bgfdata::atomlist

Definition at line 32 of file bgfplugin.C. Referenced by close_bgf_write, write_bgf_structure, and write_bgf_timestep.

float* bgfdata::bondorder

Definition at line 35 of file bgfplugin.C. Referenced by close_bgf_read, close_bgf_write, open_bgf_read, read_bgf_bonds, read_bgf_bonds_aux, write_bgf_bonds, and write_bgf_timestep.

int bgfdata::coords_read

Definition at line 33 of file bgfplugin.C. Referenced by open_bgf_read, and read_bgf_timestep.

FILE* bgfdata::file

Definition at line 31 of file bgfplugin.C. Referenced by close_bgf_read, close_bgf_write, open_bgf_read, open_bgf_write, read_bgf_bonds, read_bgf_bonds_aux, read_bgf_structure, read_bgf_timestep, and write_bgf_timestep.

int* bgfdata::from

Definition at line 34 of file bgfplugin.C. Referenced by close_bgf_read, close_bgf_write, open_bgf_read, read_bgf_bonds, read_bgf_bonds_aux, write_bgf_bonds, and write_bgf_timestep.

int bgfdata::natoms

Definition at line 33 of file bgfplugin.C. Referenced by open_bgf_read, open_bgf_write, read_bgf_structure, read_bgf_timestep, write_bgf_structure, and write_bgf_timestep.

int bgfdata::nbonds

Definition at line 33 of file bgfplugin.C. Referenced by open_bgf_read, open_bgf_write, read_bgf_bonds, read_bgf_bonds_aux, write_bgf_bonds, and write_bgf_timestep.

int bgfdata::optflags

Definition at line 33 of file bgfplugin.C. Referenced by open_bgf_read, and read_bgf_structure.

int * bgfdata::to

Definition at line 34 of file bgfplugin.C. Referenced by close_bgf_read, close_bgf_write, open_bgf_read, read_bgf_bonds, read_bgf_bonds_aux, write_bgf_bonds, and write_bgf_timestep.

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

• bgfplugin.C

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