Esempio n. 1
0
 /// <summary> Constructs an Atom from a String containing an element symbol.
 ///
 /// </summary>
 /// <param name="atom"> Atom from which the PseudoAtom is constructed
 /// </param>
 public PseudoAtom(IAtom atom)
     : base("R")
 {
     base.fractionalPoint3d = atom.getFractionalPoint3d();
     base.point3d           = atom.getPoint3d();
     base.point2d           = atom.getPoint2d();
     this.label             = atom.Symbol;
     base.hydrogenCount     = 0;
     base.stereoParity      = 0;
     base.exactMass         = 0.0;
     base.formalCharge      = 0;
     base.charge            = 0.0;
 }