Пример #1
0
 public void remove(Atom atom) {
   SimpleIterator<Atom> it = newIterator();
   for (it.moveToBeginning(); !it.isAtEnd() && it.getElement() != atom; it.next()) {}
   if (!it.isAtEnd()) {
     it.remove();
   }
 }
Пример #2
0
  /**
   * @param atom
   * @return true if atom belongs to this solution
   */
  public boolean contains(Atom atom) {
    boolean contain = false;
    SimpleIterator<Atom> it = newIterator();
    while (!it.isAtEnd()) {
      if (it.getElement().equals(atom)) {
        contain = true;

        break;
      }
      it.next();
    }
    return contain;
  }
Пример #3
0
  /**
   * Compares two molecules modulo associativity and commutativity, and takes into account
   * multiplicities
   *
   * @param molecule
   * @return true if this molecule is the same to the molecule given
   */
  public boolean equals(Molecule molecule) {
    SimpleIterator<Atom> it1 = newIterator();
    SimpleIterator<Atom> it2 = molecule.newIterator();
    // following array records already checked atoms (because of multiplicities
    // > 1)
    boolean[] checked = new boolean[molecule.size()];
    for (int i = 0; i < checked.length; i++) {
      checked[i] = false;
    }
    boolean equals;
    int j;

    if (size() != molecule.size()) {
      equals = false;
    } else {
      it1.moveToBeginning();
      equals = true;
      while (!it1.isAtEnd() && equals) {
        it2.moveToBeginning();
        j = 0;
        while (!it2.isAtEnd() && (checked[j] || !it2.getElement().equals(it1.getElement()))) {
          it2.next();
          j++;
        }
        if (it2.isAtEnd()) {
          // it1.getElement() not found in molecule (taking multiplicities into
          // account)
          equals = false;
        } else {
          checked[j] = true;
        }
        it1.next();
      }
    }
    return equals;
  }
Пример #4
0
  // public class Molecule extends SimpleLinkedList<Atom> {
  public String toString() {
    SimpleIterator<Atom> it = newIterator();
    String s = "";

    while (!it.isAtEnd()) {
      s = s + it.getElement();
      if (it.hasNext()) {
        s = s + ",";
      }
      it.next();
    }
    if (s.length() == 0) {
      s = ""; // empty molecule
    }
    return s;
  }