Package org.openscience.cdk.interfaces

Interface IChemObject

    • Method Summary

      All Methods Instance Methods Abstract Methods 
      Modifier and Type Method Description
      void addListener​(IChemObjectListener col)
      Use this to add yourself to this IChemObject as a listener.
      void addProperties​(Map<Object,​Object> properties)
      Add properties to this object, duplicate keys will replace any existing value.
      Object clone()
      Returns a deep clone of this IChemObject.
      boolean getFlag​(int mask)
      Returns the value of a given flag.
      boolean[] getFlags()
      Returns the whole set of flags.
      Number getFlagValue()
      Access the internal value used to store the flags.
      String getID()
      Returns the identifier (ID) of this object.
      int getListenerCount()
      Returns the number of ChemObjectListeners registered with this object.
      boolean getNotification()
      Returns the flag that indicates whether notification messages are sent around.
      Map<Object,​Object> getProperties()
      Returns a Map with the IChemObject's properties.
      <T> T getProperty​(Object description)
      Returns a property for the IChemObject - the object is automatically cast to the required type.
      <T> T getProperty​(Object description, Class<T> c)
      Access a property of the given description and cast the specified class.
      void notifyChanged()
      This should be triggered by an method that changes the content of an object to that the registered listeners can react to it.
      void notifyChanged​(IChemObjectChangeEvent evt)
      This should be triggered by an method that changes the content of an object to that the registered listeners can react to it.
      void removeListener​(IChemObjectListener col)
      Use this to remove a ChemObjectListener from the ListenerList of this IChemObject.
      void removeProperty​(Object description)
      Removes a property for a IChemObject.
      void setFlag​(int mask, boolean value)
      Sets the value of some flag.
      void setFlags​(boolean[] newFlags)
      Sets the whole set of flags.
      void setID​(String identifier)
      Sets the identifier (ID) of this object.
      void setNotification​(boolean bool)
      Set a flag to use or not use notification.
      void setProperties​(Map<Object,​Object> properties)
      Set the properties of this object to the provided map (shallow copy).
      void setProperty​(Object description, Object property)
      Sets a property for a IChemObject.
      String toString()
      Returns a one line description of this IChemObject.

    • Method Detail

      • getListenerCount

        int getListenerCount()
        Returns the number of ChemObjectListeners registered with this object.
        Returns:
        the number of registered listeners.

      • setNotification

        void setNotification​(boolean bool)
        Set a flag to use or not use notification. By default it should be set to true.
        Parameters:
        bool - if true, then notification messages are sent.
        See Also:
        getNotification()

      • getNotification

        boolean getNotification()
        Returns the flag that indicates whether notification messages are sent around.
        Returns:
        true if messages are sent.
        See Also:
        setNotification(boolean)

      • notifyChanged

        void notifyChanged()
        This should be triggered by an method that changes the content of an object to that the registered listeners can react to it.

      • notifyChanged

        void notifyChanged​(IChemObjectChangeEvent evt)
        This should be triggered by an method that changes the content of an object to that the registered listeners can react to it. This is a version of notifyChanged() which allows to propagate a change event while preserving the original origin.
        Parameters:
        evt - A ChemObjectChangeEvent pointing to the source of where the change happend

      • getProperty

        <T> T getProperty​(Object description)
        Returns a property for the IChemObject - the object is automatically cast to the required type. This does however mean if the wrong type is provided then a runtime ClassCastException will be thrown. 
        

     IAtom atom = new Atom("C");
     atom.setProperty("number", 1); // set an integer property

     // access the property and automatically cast to an int
     Integer number = atom.getProperty("number");

     // if the method is in a chain or needs to be nested the type
     // can be provided
     methodAcceptingInt(atom.getProperty("number", Integer.class));

     // the type cannot be checked and so...
     String number = atom.getProperty("number"); // ClassCastException

     // if the type is provided a more meaningful error is thrown
     atom.getProperty("number", String.class); // IllegalArgumentException
        Type Parameters:
        T - generic return type
        Parameters:
        description - An object description of the property (most likely a unique string)
        Returns:
        The object containing the property. Returns null if property is not set.
        See Also:
        setProperty(java.lang.Object, java.lang.Object), getProperty(Object, Class), removeProperty(java.lang.Object)

      • getProperty

        <T> T getProperty​(Object description,
                  Class<T> c)
        Access a property of the given description and cast the specified class. 
        

     IAtom atom = new Atom("C");
     atom.setProperty("number", 1); // set an integer property

     // access the property and automatically cast to an int
     Integer number = atom.getProperty("number");

     // if the method is in a chain or needs to be nested the type
     // can be provided
     methodAcceptingInt(atom.getProperty("number", Integer.class));

     // the type cannot be checked and so...
     String number = atom.getProperty("number"); // ClassCastException

     // if the type is provided a more meaningful error is thrown
     atom.getProperty("number", String.class); // IllegalArgumentException
        Type Parameters:
        T - generic type (of provided class)
        Parameters:
        description - description of a property (normally a string)
        c - type of the value to be returned
        Returns:
        the value stored for the specified description.
        See Also:
        getProperty(Object), addProperties(java.util.Map)

      • getID

        String getID()
        Returns the identifier (ID) of this object.
        Returns:
        a String representing the ID value
        See Also:
        setID(java.lang.String)

      • setID

        void setID​(String identifier)
        Sets the identifier (ID) of this object.
        Parameters:
        identifier - a String representing the ID value
        See Also:
        getID()

      • setFlag

        void setFlag​(int mask,
             boolean value)
        Sets the value of some flag. The flag is a mask from a given CDKConstant (e.g. CDKConstants.ISAROMATIC or CDKConstants.VISITED). The flags are intrinsic internal properties and should not be used to store custom values, please use setProperty(Object, Object). 
        
 // set this chem object to be aromatic
 chemObject.setFlag(CDKConstants.ISAROMATIC, Boolean.TRUE);
 // ...
 // indicate we have visited this chem object
 chemObject.setFlag(CDKConstants.VISITED, Boolean.TRUE);
        Parameters:
        mask - flag to set the value for
        value - value to assign to flag
        See Also:
        getFlag(int), CDKConstants

      • getFlag

        boolean getFlag​(int mask)
        Returns the value of a given flag. The flag is a mask from a given CDKConstant (e.g. CDKConstants.ISAROMATIC). 
        
 if(chemObject.getFlag(CDKConstants.ISAROMATIC)){
     // handle aromatic flag on this chem object
 }
        Parameters:
        mask - flag to retrieve the value of
        Returns:
        true if the flag flag_type is set
        See Also:
        setFlag(int, boolean), CDKConstants

      • setProperties

        void setProperties​(Map<Object,​Object> properties)
        Set the properties of this object to the provided map (shallow copy). Any existing properties are removed.
        Parameters:
        properties - map key-value pairs

      • addProperties

        void addProperties​(Map<Object,​Object> properties)
        Add properties to this object, duplicate keys will replace any existing value.
        Parameters:
        properties - a Map specifying the property values
        See Also:
        getProperties()

      • getFlagValue

        Number getFlagValue()
        Access the internal value used to store the flags. The flags are stored on a single numeric value and are set/cleared.
        Returns:
        numeric representation of the flags

      • toString

        String toString()
        Returns a one line description of this IChemObject.
        Overrides:
        toString in class Object
        Returns:
        a String representation of this object