Class CDK::InChIReader
In: lib/cdk/lang.rb
Parent: Object

String-based InChI reader.

Methods

new   read  

Public Class methods

[Source]

    # File lib/cdk/lang.rb, line 49
49:     def initialize
50:       @factory = InChIGeneratorFactory.new
51:     end

Public Instance methods

Returns the molecule encoded by the given InChI string.

[Source]

    # File lib/cdk/lang.rb, line 59
59:     def read inchi
60:       Molecule.new @factory.getInChIToStructure(inchi).atom_container
61:     end

[Validate]