Interface IChemObjectBuilder

    • Method Detail

      • newInstance

        <T extends ICDKObject> T newInstance​(Class<T> clazz,
                                             Object... params)
                                      throws IllegalArgumentException
        Creates a new instance of an ICDKObject, using the constructor defined by the given parameters.
        Type Parameters:
        T - Class of an interface extending ICDKObject or ICDKObject itself.
        Parameters:
        clazz - Interface class to instantiate an instance for.
        params - Parameters passed to the constructor of the created instance.
        Returns:
        Instance created.
        Throws:
        IllegalArgumentException - Exception thrown when the IChemObjectBuilder builder cannot instantiate the clazz with the given parameters.
      • newAtom

        IAtom newAtom()
        Create a new atom using the default constructor. This method is considerably faster than the dynamic dispatch of newInstance(IAtom.class) and should be used for high throughput applications (e.g. IO).
        Returns:
        new atom
      • newBond

        IBond newBond()
        Create a new bond using the default constructor. This method is considerably faster than the dynamic dispatch of newInstance(IBond.class) and should be used for high throughput applications (e.g. IO).
        Returns:
        new bond
      • newAtomContainer

        IAtomContainer newAtomContainer()
        Create a new atom container using the default constructor. This method is considerably faster than the dynamic dispatch of newInstance(IAtomContainer.class) and should be used for high throughput applications (e.g. IO).
        Returns:
        the new atom container
      • newReaction

        IReaction newReaction()
        Create a new reaction using the default constructor. This method is considerably faster than the dynamic dispatch of newInstance(IReaction.class) and should be used for high throughput applications (e.g. IO).
        Returns:
        the new reaction