Class EspressoReader

  • All Implemented Interfaces:
    javajs.api.GenericLineReader

    public class EspressoReader
    extends AtomSetCollectionReader
    • Field Detail

      • cellParams

        private float[] cellParams
      • totEnergy

        private java.lang.Double totEnergy
      • endFlag

        private boolean endFlag
      • aPar

        private float aPar
    • Constructor Detail

      • EspressoReader

        public EspressoReader()
    • 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
      • readAparam

        private void readAparam()
                         throws java.lang.Exception
        Throws:
        java.lang.Exception
      • readCellParam

        private void readCellParam​(boolean andAPar)
                            throws java.lang.Exception
        Throws:
        java.lang.Exception
      • newAtomSet

        private void newAtomSet()
                         throws java.lang.Exception
        Throws:
        java.lang.Exception
      • setCellParams

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

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

        private void readEnergy()
                         throws java.lang.Exception
        Throws:
        java.lang.Exception
      • setEnergy

        private void setEnergy()