Beispiel #1
0
  /**
   * Creates a new instance of the dummy empty ChemComp.
   *
   * @return
   */
  public static ChemComp getEmptyChemComp() {
    ChemComp comp = new ChemComp();

    comp.setOne_letter_code("?");
    comp.setThree_letter_code("???"); // Main signal for isEmpty()
    comp.setPolymerType(PolymerType.unknown);
    comp.setResidueType(ResidueType.atomn);
    return comp;
  }
Beispiel #2
0
 @Override
 public int compareTo(ChemComp arg0) {
   if (this.equals(arg0)) return 0;
   return this.getId().compareTo(arg0.getId());
 }