Package org.openscience.cdk.io

Class INChIPlainTextReader

  • All Implemented Interfaces:
    Closeable, AutoCloseable, IChemObjectIO, IChemObjectReader, ISimpleChemObjectReader
    public class INChIPlainTextReader
extends DefaultChemObjectReader
    Reads the content of a IUPAC/NIST Chemical Identifier (INChI) plain text document. This reader parses output generated with INChI 1.12beta like: 
    
 Input_File: "E:\Program Files\INChI\inchi-samples\Figure04.mol"

 Structure: 1
 INChI=1.12Beta/C6H6/c1-2-4-6-5-3-1/h1-6H
 AuxInfo=1.12Beta/0/N:1,2,3,4,5,6/E:(1,2,3,4,5,6)/rA:6CCCCCC/rB:s1;d1;d2;s3;s4d5;/rC:5.6378,-4.0013,0;5.6378,-5.3313,0;4.4859,-3.3363,0;4.4859,-5.9963,0;3.3341,-4.0013,0;3.3341,-5.3313,0;
    Author:
    Egon Willighagen <egonw@sci.kun.nl>
    See Also:
    INChIReader
    Source code:
    main
    Belongs to CDK module:
    extra
    Keywords:
    file format, INChI, chemical identifier
    Created on:
    2004-08-01
    Requires:
    java1.4+

    • Constructor Detail

      • INChIPlainTextReader

        public INChIPlainTextReader​(Reader input)
        Construct a INChI reader from a Reader object.
        Parameters:
        input - the Reader with the content

      • INChIPlainTextReader

        public INChIPlainTextReader​(InputStream input)

      • INChIPlainTextReader

        public INChIPlainTextReader()

    • Method Detail

      • setReader

        public void setReader​(Reader input)
        Description copied from interface: IChemObjectReader
        Sets the Reader from which this ChemObjectReader should read the contents.

      • accepts

        public boolean accepts​(Class<? extends IChemObject> classObject)
        Description copied from interface: IChemObjectIO
        Returns whether the given IChemObject can be read or written.
        Parameters:
        classObject - IChemObject of which is tested if it can be handled.
        Returns:
        true, if the IChemObject can be handled.

      • read

        public <T extends IChemObject> T read​(T object)
                               throws CDKException
        Reads a IChemObject of type object from input. Supported types are: ChemFile.
        Parameters:
        object - type of requested IChemObject
        Returns:
        the content in a ChemFile object
        Throws:
        CDKException - it is thrown if the type of information is not available from the input

      • close

        public void close()
           throws IOException
        Description copied from interface: IChemObjectIO
        Closes this IChemObjectIO's resources.
        Throws:
        IOException - when the wrapper IO class cannot be closed.