Package org.openscience.cdk.interfaces

Interface IChemObjectBuilder

All Known Implementing Classes:
DebugChemObjectBuilder, DefaultChemObjectBuilder, SilentChemObjectBuilder
public interface IChemObjectBuilder
A helper class to instantiate a ICDKObject instance for a specific implementation.
Author:
egonw

  • Method Details

    • 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

    • find

      static IChemObjectBuilder find()
      This function is used to find an IChemObject builder using reflection. It first tries to create a SilentChemObjectBuilder and failing that a DefaultChemObjectBuilder. It should be used sparingly since APIs should require a builder is passed in.
      Returns:
      the IChemObject builder