Table of Contents

Class: smiles ../bkchem/oasa/oasa/smiles.py
Base Classes   
plugin
Methods   
__init__
disconnect_something
disconnect_something_simple
get_smiles
get_structure
read_smiles
recode_oasa_to_smiles_bond
set_structure
  __init__ 
__init__ ( self,  structure=None )

  disconnect_something 
disconnect_something (
        self,
        mol,
        start_from=None,
        )

returns (broken edge, resulting mol, atom where mol was disconnected, disconnected branch)

Exceptions   
"fuck, how comes!?"
  disconnect_something_simple 
disconnect_something_simple (
        self,
        mol,
        start_from=None,
        )

returns (broken edge, resulting mol, atom where mol was disconnected, disconnected branch)

Exceptions   
"fuck, how comes!?"
  get_smiles 
get_smiles ( self,  mol )

Exceptions   
oasa_exceptions.oasa_not_implemented_error( "SMILES", "Cannot encode disconnected compounds, such as salts etc." )
  get_structure 
get_structure ( self )

  read_smiles 
read_smiles ( self,  text )

  recode_oasa_to_smiles_bond 
recode_oasa_to_smiles_bond ( self,  b )

  set_structure 
set_structure ( self,  structure )


Table of Contents

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