Class INChIReader

All Implemented Interfaces:
Closeable, AutoCloseable, IChemObjectIO, IChemObjectReader, ISimpleChemObjectReader

public class INChIReader extends DefaultChemObjectReader
Reads the content of a IUPAC/NIST Chemical Identifier (INChI) document. See [Stein, S. and Heller, S.. Chemistry International. 2001. 23]. Recently a new INChI format was introduced an files generated with the latest INChI generator cannot be parsed with this class. This class needs to be updated.

The elements that are read are given in the INChIHandler class.

Author:
Egon Willighagen <egonw@sci.kun.nl>
Source code:
main
Belongs to CDK module:
extra
Keywords:
file format, INChI, chemical identifier
Created on:
2004-05-17
Requires:
java1.4+
  • Constructor Details

    • INChIReader

      public INChIReader(InputStream input)
      Construct a INChI reader from a InputStream object.
      Parameters:
      input - the InputStream with the content
    • INChIReader

      public INChIReader()
  • Method Details

    • getFormat

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

      public void setReader(Reader reader) throws CDKException
      This method must not be used; XML reading requires the use of an InputStream. Use setReader(InputStream) instead.
      Throws:
      CDKException
    • 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.