Class ZMatrixReader

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

public class ZMatrixReader extends DefaultChemObjectReader
It reads Z matrices like in Gaussian input files. It seems that it cannot handle Z matrices where values are given via a stringID for which the value is given later.
Source code:
main
Belongs to CDK module:
extra
Keywords:
file format, Z-matrix
  • Constructor Details

    • ZMatrixReader

      public ZMatrixReader(Reader input)
      Constructs a ZMatrixReader from a Reader that contains the data to be parsed.
      Parameters:
      input - Reader containing the data to read
    • ZMatrixReader

      public ZMatrixReader(InputStream input)
    • ZMatrixReader

      public ZMatrixReader()
  • 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
      Returns a IChemObject of type object bye reading from the input. The function supports only reading of ChemFile's.
      Parameters:
      object - IChemObject that types the class to return.
      Returns:
      returns an object of that contains the content (or part) of the input content
      Throws:
      CDKException - when a IChemObject is requested that cannot be read.
    • 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.