Table of Contents

Module: smiles ../bkchem/oasa/oasa/smiles.py
Functions   
file_to_mol
is_line
is_pure_ring
mol_to_file
mol_to_text
text_to_mol
  file_to_mol 
file_to_mol ( f )

  is_line 
is_line ( mol )

all degrees are 2 except of two with degree 1

  is_pure_ring 
is_pure_ring ( mol )

  mol_to_file 
mol_to_file ( mol,  f )

  mol_to_text 
mol_to_text ( structure )

  text_to_mol 
text_to_mol ( text,  calc_coords=1 )

Classes   

smiles


Table of Contents

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