Class GromacsReader

  • All Implemented Interfaces:
    javajs.api.GenericLineReader

    public class GromacsReader
    extends AtomSetCollectionReader
    • Constructor Detail

      • GromacsReader

        public GromacsReader()
    • 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
      • readAtoms

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

        private void setAtomName​(Atom atom,
                                 java.lang.String gname,
                                 java.lang.String aname)
      • deduceElementSymbol

        java.lang.String deduceElementSymbol​(java.lang.String group3,
                                             java.lang.String atomName)
      • readUnitCell

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