Package chemaxon.struc.sgroup

Class AttachmentPoint

java.lang.Object
chemaxon.struc.sgroup.AttachmentPoint
All Implemented Interfaces:
Serializable, Comparable<AttachmentPoint>
@PublicApi public class AttachmentPoint extends Object implements Comparable<AttachmentPoint>, Serializable
Attachment Point class for the Superatom S-group. An attachment point object consists of
  • the atom on which the attachment point was placed;
  • the order which defines the order of the attachment points. When a bond is added to the superatom s-group in its contracted state then the bond will be added to the attachment point having the lowest order;
  • the crossing bond connecting to this attachment point.
Since:
Marvin 6.0, Nov 21, 2012
See Also:

  • Constructor Details

    • AttachmentPoint

      public AttachmentPoint(MolAtom atom, int order, MolBond bond)
      Constructs an AttachmentPoint object
      Parameters:
      atom - on which that attachment point is set
      order - the order of the attachment point
      bond - the crossing bond
      Throws:
      IllegalArgumentException - if the order is a non positive number
      Since:
      Marvin 6.0, Nov 21, 2012

  • Method Details

    • getAtom

      public MolAtom getAtom()
      Gets the atom on which the attachment point was placed.
      Returns:
      the atom on which the attachment point was placed
      Since:
      Marvin 6.0, Nov 21, 2012

    • getOrder

      public int getOrder()
      Gets the order of the attachment point. When a bond is added to the superatom s-group in its contracted state then the bond will be added to the attachment point having the lowest order.
      Returns:
      the order of the attachment point
      Since:
      Marvin 6.0, Nov 21, 2012

    • getBond

      public MolBond getBond()
      Gets the bond that is binded to this attachment point (crossing bond).
      Returns:
      the crossing bond
      Since:
      Marvin 6.0, Nov 21, 2012

    • compareTo

      public int compareTo(AttachmentPoint attachmentPoint)
      Compares two attachment points by their order.
      Specified by:
      compareTo in interface Comparable<AttachmentPoint>
      Parameters:
      attachmentPoint - the attachment point to be compared to
      Returns:
      a negative integer, zero, or a positive integer as this object is less than, equal to, or greater than the specified object.

    • toString

      public String toString()
      Overrides Object.toString() to ease debugging. Returns a string consisting of the classname (without the package name!), the atom, the order, the crossing bond.
      Overrides:
      toString in class Object
      Returns:
      a string representation of the object
      Since:
      Marvin 6.0, 2012.12.17.

    • isFree

      public boolean isFree()
      Decides whether the attachment point is free or not. Free if it does not have a crossing bond.
      Returns:
      true if the attachment point does not have a crossing bond, false otherwise
      Since:
      Marvin 6.0, 2013.02.14.