Class VASPReader

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

public class VASPReader extends DefaultChemObjectReader
Read output files generated with the VASP software.
Author:
Fabian Dortu <Fabian.Dortu@wanadoo.be>
Source code:
main
Belongs to CDK module:
extra
  • Field Details

  • Constructor Details

    • VASPReader

      public VASPReader(Reader input)
      Creates a new VASPReader instance.
      Parameters:
      input - a Reader value
    • VASPReader

      public VASPReader(InputStream input)
    • VASPReader

      public VASPReader()
  • 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 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
      Description copied from interface: ISimpleChemObjectReader
      Reads an IChemObject of type "object" from input. The constructor of the actual implementation may take a Reader as input to get a very flexible reader that can read from string, files, etc.
      Parameters:
      object - the type of object to return
      Returns:
      returns an object of that contains the content (or part) of the input content
      Throws:
      CDKException - it is thrown if the type of information is not available from the input
    • nextVASPToken

      public String nextVASPToken(boolean newLine) throws IOException
      Find the next token of an VASP file. ABINIT tokens are words separated by space(s). Characters following a "#" are ignored till the end of the line.
      Returns:
      a String value
      Throws:
      IOException - if an error occurs
    • nextVASPTokenFollowing

      public String nextVASPTokenFollowing(String string) throws IOException
      Find the next token of a VASP file beginning with the *next* line.
      Throws:
      IOException
    • 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.