Class ShelXReader

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

public class ShelXReader extends DefaultChemObjectReader
A reader for ShelX output (RES) files. It does not read all information. The list of fields that is read: REM, END, CELL, SPGR. In additions atoms are read.

A reader for ShelX files. It currently supports ShelXL.

The ShelXL format is described on the net: http://www.msg.ucsf.edu/local/programs/shelxl/ch_07.html.

Author:
E.L. Willighagen
Source code:
main
Belongs to CDK module:
io
Keywords:
file format, ShelXL
  • Constructor Details

    • ShelXReader

      public ShelXReader(Reader input)
      Create an ShelX file reader.
      Parameters:
      input - source of ShelX data
    • ShelXReader

      public ShelXReader(InputStream input)
    • ShelXReader

      public ShelXReader()
  • 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) throws CDKException
      Description copied from interface: IChemObjectReader
      Sets the Reader from which this ChemObjectReader should read the contents.
      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
      Read a ChemFile from input.
      Parameters:
      object - the type of object to return
      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.