OEChem - Java Theory Manual

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5.2 Java-style Iteration

For iteration in the style of Java iterators, there are methods:

boolean         hasNext()
<iterated type> next()

where hasNext returns true is the iterator has another object left, and next returns the current "object" and then increments the iterator. Note that next returns a reference to the actual type inside the iterator (OEAtomBase, OEBondBase, etc.) and does not require a cast like some Java containers.

To us a for loop over the atoms in a molecule and print their atomic number:

for (OEAtomBaseIter aiter = mol.GetAtoms();aiter.hasNext();) {
    OEAtomBase atom = aiter.next();
    System.out.println(atom.GetAtomicNum());
}

this can also be accomplished with a while loop:

OEAtomBaseIter aiter = mol.GetAtoms();
while (aiter.hasNext()) {
    OEAtomBase atom = aiter.next();
    System.out.println(atom.GetAtomicNum());
}

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				OEChem - Java Theory Manual

Previous: 5.1 Introduction Up: 5. Iterators in OEChem Next: 5.3 C++-style Iteration

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Documentation released on June 4, 2008.