Table of Contents

Module: inchi ../bkchem/oasa/oasa/inchi.py
Functions   
file_to_mol
generate_inchi
mol_to_file
mol_to_text
text_to_mol
  file_to_mol 
file_to_mol ( f )

  generate_inchi 
generate_inchi (
        m,
        program=None,
        fixed_hs=False,
        )

Exceptions   
oasa_inchi_error( "InChI program did not create any output InChI" )
  mol_to_file 
mol_to_file ( mol,  f )

  mol_to_text 
mol_to_text (
        mol,
        program=None,
        fixed_hs=False,
        )

  text_to_mol 
text_to_mol (
        text,
        include_hydrogens=True,
        mark_aromatic_bonds=False,
        calc_coords=1,
        )

Classes   

inchi

inchi_popen

inchi_popen2


Table of Contents

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