Class PseudoAtom

All Implemented Interfaces:
Serializable, Cloneable, IAtom, IAtomType, ICDKObject, IChemObject, IElement, IIsotope, IPseudoAtom
Direct Known Subclasses:
FragmentAtom

public class PseudoAtom extends Atom implements Serializable, Cloneable, IPseudoAtom
Represents the idea of a non-chemical atom-like entity, like Me, R, X, Phe, His, etc.

This should be replaced by the mechanism explained in RFC #8.

See Also:
Source code:
main
Belongs to CDK module:
silent
  • Constructor Details

    • PseudoAtom

      public PseudoAtom()
      Constructs an empty PseudoAtom.
    • PseudoAtom

      public PseudoAtom(String label)
      Constructs an Atom from a String containing an element symbol.
      Parameters:
      label - The String describing the PseudoAtom
    • PseudoAtom

      public PseudoAtom(IElement element)
      Constructs an PseudoAtom from a IAtom.
      Parameters:
      element - IAtom from which the PseudoAtom is constructed
    • PseudoAtom

      public PseudoAtom(String label, javax.vecmath.Point3d point3d)
      Constructs an Atom from an Element and a Point3d.
      Parameters:
      label - The String describing the PseudoAtom
      point3d - The 3D coordinates of the atom
    • PseudoAtom

      public PseudoAtom(String label, javax.vecmath.Point2d point2d)
      Constructs an Atom from an Element and a Point2d.
      Parameters:
      label - The String describing the PseudoAtom
      point2d - The Point
  • Method Details