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xbgfdata Struct Reference

List of all members.

Public Attributes

FILE * file
molfile_atom_tatomlist
molfile_metadata_tmeta
int natoms
int nbonds
int optflags
int coords_read
int * from
int * to
float * bondorder

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.


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