Package org.openscience.cdk.io

Class INChIPlainTextReader

java.lang.Object
org.openscience.cdk.io.ChemObjectIO
org.openscience.cdk.io.DefaultChemObjectReader
org.openscience.cdk.io.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:
Source code:
main
Belongs to CDK module:
extra
Keywords:
file format, INChI, chemical identifier
Created on:
2004-08-01
Requires:
java1.4+

  • Constructor Details

    • 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 Details

    • getFormat

      public IResourceFormat getFormat()
      Description copied from interface: IChemObjectIO
      Returns the IResourceFormat class for this IO class.

    • setReader

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

    • setReader

      public void setReader(InputStream input) throws CDKException
      Description copied from interface: IChemObjectReader
      Sets the InputStream from which this ChemObjectReader should read the contents.
      Throws:
      CDKException

    • 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.