Class MagresReader

java.lang.Object
org.jmol.adapter.smarter.AtomSetCollectionReader
org.jmol.adapter.readers.xtal.MagresReader
All Implemented Interfaces:
GenericLineReader

public class MagresReader extends AtomSetCollectionReader
  • Constructor Details

    • MagresReader

      public MagresReader()
  • Method Details

    • initializeReader

      protected void initializeReader()
      not sure how to work with symmetry here...
      Overrides:
      initializeReader in class AtomSetCollectionReader
    • finalizeSubclassReader

      protected void finalizeSubclassReader() throws Exception
      Set final auxiliary info and symmetry, including "fileHeader", "magresUnits", and "interactionTensors"; note that print getProperty("auxiliaryInfo.models[1].magresUnits") should return a catalog of tensor types.
      Overrides:
      finalizeSubclassReader in class AtomSetCollectionReader
      Throws:
      Exception
    • checkLine

      protected boolean checkLine() throws Exception
      Valid blocks include [calculation] [atoms] [magres]; all magres entries must be prefaced with a corresponding unit; Use of < > instead of [ ] is allowed.
      Overrides:
      checkLine in class AtomSetCollectionReader
      Returns:
      true to read another line (some readers return false because they have over-read a line)
      Throws:
      Exception