Class GenNBOReader

  • All Implemented Interfaces:
    javajs.api.GenericLineReader

    public class GenNBOReader
    extends MOReader
    NBO file nn reader will pull in other files as necessary acknowledgments: Grange Hermitage, Frank Weinhold
    Author:
    hansonr
    • Field Detail

      • isOutputFile

        private boolean isOutputFile
      • nboType

        private java.lang.String nboType
      • nOrbitals0

        private int nOrbitals0
      • isArchive

        private boolean isArchive
      • P_LIST

        private static java.lang.String P_LIST
      • SP_LIST

        private static java.lang.String SP_LIST
      • 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

      • GenNBOReader

        public GenNBOReader()
    • Method Detail

      • initializeReader

        protected void initializeReader()
                                 throws java.lang.Exception
        Overrides:
        initializeReader in class MOReader
        Throws:
        java.lang.Exception
      • readMOs

        private void readMOs()
                      throws java.lang.Exception
        Throws:
        java.lang.Exception
      • 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
      • getFileData

        private java.lang.String getFileData​(java.lang.String ext)
                                      throws java.lang.Exception
        Throws:
        java.lang.Exception
      • getFile31

        private boolean getFile31()
                           throws java.lang.Exception
        Throws:
        java.lang.Exception
      • getFile46

        private void getFile46()
                        throws java.lang.Exception
        Throws:
        java.lang.Exception
      • readData47

        private void readData47()
                         throws java.lang.Exception
        Throws:
        java.lang.Exception
      • getIntData

        private int[] getIntData()
                          throws java.lang.Exception
        Throws:
        java.lang.Exception
      • fillSlater

        private boolean fillSlater​(int[] slater,
                                   int n,
                                   int pt,
                                   int ng)
      • getAlphasAndExponents

        private void getAlphasAndExponents()
                                    throws java.lang.Exception
        Throws:
        java.lang.Exception
      • readData31

        private boolean readData31​(java.lang.String line1)
                            throws java.lang.Exception
        Throws:
        java.lang.Exception
      • readData46

        private void readData46()
                         throws java.lang.Exception
        Throws:
        java.lang.Exception