Class: CDK::SmilesReader

Inherits:

Object

• Object
• CDK::SmilesReader

Defined in:

lib/cdk/lang.rb

Overview

String-based SMILES reader.

Instance Method Summary

• #initialize ⇒ SmilesReader constructor

  A new instance of SmilesReader.

• #read(smiles) ⇒ Object

  Returns the molecule encoded by the given SMILES string.

Constructor Details

#initialize ⇒ SmilesReader

Returns a new instance of SmilesReader.

# File 'lib/cdk/lang.rb', line 66

def initialize
  @reader = SmilesParser.new
end

Instance Method Details

#read(smiles) ⇒ Object

Returns the molecule encoded by the given SMILES string.

call-seq:

InChIReader.read(inchi) => org.openscience.cdk.Molecule

# File 'lib/cdk/lang.rb', line 76

def read smiles
  @reader.parse_smiles smiles
end