Class WebMOReader

  • All Implemented Interfaces:
    javajs.api.GenericLineReader

    public class WebMOReader
    extends MopacSlaterReader
    A molecular orbital reader for WebMO files.

    http://www.webmo.net/demo/ right now WebMO files don't allow for multiple MOS, but we will assume here that that may change.

    • Field Detail

      • DS_LIST

        private static java.lang.String DS_LIST
      • DC_LIST

        private static java.lang.String DC_LIST
      • FS_LIST

        private static java.lang.String FS_LIST
      • FC_LIST

        private static java.lang.String FC_LIST
    • Constructor Detail

      • WebMOReader

        public WebMOReader()
    • Method Detail

      • checkLine

        protected boolean checkLine()
                             throws java.lang.Exception
        Overrides:
        checkLine in class AtomSetCollectionReader
        Returns:
        true if need to read new line
        Throws:
        java.lang.Exception
      • readHeader

        void readHeader()
                 throws java.lang.Exception
        Throws:
        java.lang.Exception
      • readAtoms

        void readAtoms()
                throws java.lang.Exception
        Throws:
        java.lang.Exception
      • readBonds

        void readBonds()
                throws java.lang.Exception
        Throws:
        java.lang.Exception
      • readAtomicOrbitalOrder

        void readAtomicOrbitalOrder()
                             throws java.lang.Exception
        Throws:
        java.lang.Exception
      • getLine

        private boolean getLine()
                         throws java.lang.Exception
        Throws:
        java.lang.Exception
      • readGaussianBasis

        void readGaussianBasis()
                        throws java.lang.Exception
        Throws:
        java.lang.Exception
      • readSlaterBasis

        void readSlaterBasis()
                      throws java.lang.Exception
        Throws:
        java.lang.Exception
      • readMolecularOrbital

        void readMolecularOrbital()
                           throws java.lang.Exception
        Throws:
        java.lang.Exception