Class: CDK::MolfileReader

Inherits:

Object

• Object
• CDK::MolfileReader

Defined in:

lib/cdk/lang.rb

Overview

String-based molfile reader.

Instance Method Summary

• #initialize ⇒ MolfileReader constructor

  A new instance of MolfileReader.

• #read(molfile) ⇒ Object

  Returns the molecule encoded by the given molfile.

Constructor Details

#initialize ⇒ MolfileReader

Returns a new instance of MolfileReader.

# File 'lib/cdk/lang.rb', line 27

def initialize
  @reader = MDLReader.new
end

Instance Method Details

#read(molfile) ⇒ Object

Returns the molecule encoded by the given molfile.

call-seq:

MolfileReader.read(molfile) => org.openscience.cdk.Molecule

# File 'lib/cdk/lang.rb', line 36

def read molfile
  @reader.set_reader StringReader.new(molfile)
  @reader.read Molecule.new
end