protected void set(Atom atom1, Atom atom2, Distance distance, int swapFactor) { this.atom1 = atom1; this.atom2 = atom2; this.swapFactor = swapFactor; distanceVal = distance.distance(); dDistanceDx = distance.dDistanceDx(); dDistanceDy = distance.dDistanceDy(); dDistanceDz = distance.dDistanceDz(); }
/* * @parm obj is Distance */ public boolean accept(Object obj) { Distance dis = (Distance) obj; HB_AtomAttribute atom1Attribute = (HB_AtomAttribute) (dis.atom1().getAttribute(HB_AtomAttribute.key)); HB_AtomAttribute atom2Attribute = (HB_AtomAttribute) (dis.atom2().getAttribute(HB_AtomAttribute.key)); if (atom1Attribute == null || atom2Attribute == null) // meens that at list one of the atom is not H or O // since we add attribute just to H or O return false; return ((atom1Attribute.isH && atom2Attribute.isO) || (atom1Attribute.isO && atom2Attribute.isH)); }