Class: Chem::KEGG::KCFReader

Inherits:
Object
  • Object
show all
Defined in:
lib/chem/db/kcf.rb

Class Method Summary collapse

Instance Method Summary collapse

Class Method Details

.open(file, &method) ⇒ Object 



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# File 'lib/chem/db/kcf.rb', line 292

def KCFReader.open(file, &method)
  input = File.open(file, 'r')
  KCFReader.new.read(input, &method)
end

Instance Method Details

#read(input, &method) ⇒ Object 



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# File 'lib/chem/db/kcf.rb', line 297

def read input, &method
  #       0.upto(2) do |m|
  #         0.upto(9) do |n|
  #           print n
  #         end
  #       end
  #       puts
  status = :NEW
  mol = KCFMolecule.new
  input.each do |line|
    case line[0..11]
    when /ANUMBER/
      mol.a_no = /A(\d+)/.match(line)[1].to_i
    when /ENTRY/
      entry = /C(\d+)/.match(line)[1].to_i
    when /ATOM/
      n_atoms = /(\d+)/.match(line)[1].to_i
      status = :ATOM
    when /BOND/
      n_bonds = /(\d+)/.match(line)[1].to_i
      status = :BOND
    when /\/\/\//
      if(method)
        yield mol
      end
      mol = KCFMolecule.new
      status = :NEW
    else
      case status
      when :ATOM
        atom = KCFAtom.new
        atom.number, atom.kcf_type, atom.element, atom.x, atom.y, = line[12..-1].scanf("%d%s%s%f%f%s")
        mol.atoms[atom.number] = atom
      when :BOND
        bond = KCFBond.new
        no, b, e, bond.multiplicity, prop = line[12..-1].scanf("%d%d%d%d%s")
        bond.b = mol.atoms[b]
        bond.e = mol.atoms[e]
        mol.bonds.push(bond)
      end
    end
  end
end