Class MDArrayReader

  • @PublicAPI
    public class MDArrayReader
    extends MDReader

    Reads MolecularDescriptors from an array. Intended for use when chemical descriptors are read more than once.

    Typical usage:

     MDArrayReader r = new MDArrayReader( sampleDescriptorSet, cdFileReader );

    After that all methods of MDReaders can be called, the number of MDSets is known, reading is fast, and can be reset without problems.

    JChem 2.0
    • Constructor Detail

      • MDArrayReader

        public MDArrayReader​(MDSet[] elements)
        Constructor from standard array (to ease use of methods requiring MDReader input).
        elements - Array of MDSets to be put into the reader.
      • MDArrayReader

        public MDArrayReader​(MDReader reader)
                      throws MDReaderException
        Constructor from another MDReader.
        reader - MDReader to be copied into an array reader.
        MDReaderException - if the reader encounter an unreadable record.