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mol2data Struct Reference

List of all members.

Public Attributes

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

Member Data Documentation

molfile_atom_t* mol2data::atomlist
 

Definition at line 48 of file mol2plugin.C.

Referenced by close_mol2_write, write_mol2_structure, and write_mol2_timestep.

float* mol2data::bondorder
 

Definition at line 51 of file mol2plugin.C.

Referenced by close_mol2_read, close_mol2_write, open_mol2_read, read_mol2_bonds, read_mol2_bonds_aux, write_mol2_bonds, and write_mol2_timestep.

int mol2data::coords_read
 

Definition at line 49 of file mol2plugin.C.

Referenced by open_mol2_read, and read_mol2_timestep.

FILE* mol2data::file
 

Definition at line 47 of file mol2plugin.C.

Referenced by close_mol2_read, close_mol2_write, open_mol2_read, open_mol2_write, read_mol2, read_mol2_bonds, read_mol2_bonds_aux, read_mol2_timestep, and write_mol2_timestep.

int* mol2data::from
 

Definition at line 50 of file mol2plugin.C.

Referenced by close_mol2_read, close_mol2_write, open_mol2_read, read_mol2_bonds, read_mol2_bonds_aux, write_mol2_bonds, and write_mol2_timestep.

int mol2data::natoms
 

Definition at line 49 of file mol2plugin.C.

Referenced by open_mol2_read, open_mol2_write, read_mol2, read_mol2_timestep, write_mol2_structure, and write_mol2_timestep.

int mol2data::nbonds
 

Definition at line 49 of file mol2plugin.C.

Referenced by open_mol2_read, open_mol2_write, read_mol2_bonds, read_mol2_bonds_aux, write_mol2_bonds, and write_mol2_timestep.

int mol2data::optflags
 

Definition at line 49 of file mol2plugin.C.

Referenced by open_mol2_read, and read_mol2.

int * mol2data::to
 

Definition at line 50 of file mol2plugin.C.

Referenced by close_mol2_read, close_mol2_write, open_mol2_read, read_mol2_bonds, read_mol2_bonds_aux, write_mol2_bonds, and write_mol2_timestep.


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