Class: Chem::MDL::SdfParser

Inherits:
Object
  • Object
show all
Includes:
Enumerable
Defined in:
lib/chem/db/sdf.rb

Class Method Summary collapse

Instance Method Summary collapse

Constructor Details

#initialize(file) ⇒ SdfParser

Returns a new instance of SdfParser.



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# File 'lib/chem/db/sdf.rb', line 10

def initialize file
  require 'chem/db/mdl'
  @input = open(file)
end

Class Method Details

.parse(file) ⇒ Object 



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# File 'lib/chem/db/sdf.rb', line 30

def self.parse file
  SdfParser.new(file)
end

Instance Method Details

#each ⇒ Object 



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# File 'lib/chem/db/sdf.rb', line 15

def each
  @input.rewind

  # for \r\n and \n
  first_entry = true
  from = 0
  @input.each("$$$$") do |entry|
    from = entry.index("\n") + 1unless first_entry
    first_entry = false
    next if entry[from..-1].length < 3
    yield MdlMolecule.parse_io(StringIO.new(entry[from..-1]))
  end

end