Table of Contents

Class: molfile bkchem/oasa/oasa/molfile.py
Base Classes   
plugin
Methods   
__init__
_get_atom_line
_get_body
_get_bond_line
_get_counts_line
_get_header
_get_molfile_charge
_read_atom
_read_body
_read_bond
_read_header
_read_molfile_charge
_write_body
_write_counts_line
_write_header
get_structure
get_text
read_file
set_structure
write_file
  __init__ 
__init__ ( self,  structure=None )

  _get_atom_line 
_get_atom_line ( self,  a )

  _get_body 
_get_body ( self )

  _get_bond_line 
_get_bond_line ( self,  b )

  _get_counts_line 
_get_counts_line ( self )

  _get_header 
_get_header ( self )

  _get_molfile_charge 
_get_molfile_charge (
        self,
        charge,
        multiplicity,
        )

  _read_atom 
_read_atom ( self,  file )

  _read_body 
_read_body ( self,  file )

  _read_bond 
_read_bond ( self,  file )

  _read_header 
_read_header ( self,  file )

  _read_molfile_charge 
_read_molfile_charge ( self,  value )

  _write_body 
_write_body ( self,  file )

  _write_counts_line 
_write_counts_line ( self,  file )

  _write_header 
_write_header ( self,  file )

  get_structure 
get_structure ( self )

  get_text 
get_text ( self )

  read_file 
read_file ( self,  file )

  set_structure 
set_structure ( self,  structure )

  write_file 
write_file ( self,  file )

file should be a writable file object

Exceptions   
"No structure to write"

Table of Contents

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