Class MolContext

  • All Implemented Interfaces:
    ChemContext, chemaxon.marvin.util.CallbackIface, Serializable
    Direct Known Subclasses:
    AtomContext

    @PublicAPI
    public class MolContext
    extends Object
    implements ChemContext
    Expression evaluation context containing a single molecule. Provides function names for accessing context elements through the CallbackIface.
    Since:
    JChem 2.2, Marvin 5.1
    See Also:
    Serialized Form
    • Constructor Detail

      • MolContext

        public MolContext()
        Constructor.
      • MolContext

        public MolContext​(Molecule m)
        Creates a MolContext with the given input molecule.
        Since:
        Marvin 5.2
    • Method Detail

      • getContextFunctionNames

        public String[] getContextFunctionNames()
        Returns {"mol", "fingerprint"}. This is the accessor function name for getting the molecule.
        Specified by:
        getContextFunctionNames in interface ChemContext
        Returns:
        {"mol", "fingerprint"}
      • callback

        public Object callback​(String method,
                               Object arg)
        Implements CallbackIface. Returns null for unimplemented callbacks. Implemented callbacks:
        methodargreturn value
        "mol"nullthe input molecule
        "fingerprint"nullthe input molecule fingerprint
        Specified by:
        callback in interface chemaxon.marvin.util.CallbackIface
        Specified by:
        callback in interface ChemContext
        Parameters:
        method - is the accessor method name
        arg - is the accessor method argument (the JEP parameter stack as null, a single parameter object or a parameter object array depending on the number of parameters on the stack)
        Returns:
        the context element
      • setMolecule

        public void setMolecule​(Molecule mol)
        Sets the input molecule.
        Parameters:
        mol - is the input molecule
      • setSupplier

        public void setSupplier​(com.google.common.base.Supplier<Molecule> supplier)
      • getMolecule

        public Molecule getMolecule()
        Returns the input molecule.
        Returns:
        the input molecule
      • setFingerprint

        public void setFingerprint​(int[] fingerprint)
        Sets the fingerprint of the input molecule.
        Parameters:
        fingerprint - is the fingerprint
      • getFingerprint

        public int[] getFingerprint()
        Returns the input molecule fingerprint.
        Returns:
        the input molecule fingerprint
      • getFingerprint

        protected int[] getFingerprint​(Object arg)
        Returns the input molecule fingerprint if argument is the input molecule, null otherwise.
        Parameters:
        arg - is the argument to be checked against the input molecule
        Returns:
        the input molecule fingerprint or null
      • clear

        public void clear()
        Clears the context.
        Specified by:
        clear in interface ChemContext