Class OrcaReader

  • All Implemented Interfaces:
    javajs.api.GenericLineReader

    public class OrcaReader
    extends AtomSetCollectionReader
    Reads ORCA input and output files
    • Field Detail

      • chargeTag

        private java.lang.String chargeTag
      • atomCount

        private int atomCount
      • xyzBohr

        private boolean xyzBohr
    • Constructor Detail

      • OrcaReader

        public OrcaReader()
    • 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
      • processEnergyLine

        private void processEnergyLine()
      • processInputFile

        private void processInputFile()
                               throws java.lang.Exception
        Throws:
        java.lang.Exception
      • processCoordinates

        void processCoordinates()
                         throws java.lang.Exception
        Throws:
        java.lang.Exception
      • processAtomicCharges

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