Module: Chem::Reaction

Included in:
KEGG::KEGGReaction, MDL::MdlReaction, ReactionSkeleton
Defined in:
lib/chem/model.rb,
lib/chem/db/mdl.rb

Instance Method Summary collapse

Instance Method Details

#to_mdl_rxn ⇒ Object 



49
50
51
52
53
54
55
56
57
58
59
 
# File 'lib/chem/db/mdl.rb', line 49

def to_mdl_rxn
  return # fix me
#      out = STDOUT
  out.puts "$RXN"
  out.puts
  out.puts "ISIS     112620051015"
  out.puts
  out.puts "%3d%3d" % [@reactants.length, @products.length]
  @reactants.each{ |mol| output_mdl_mol(mol, out)}
  @products.each{ |mol| output_mdl_mol(mol, out)}
end