/** * Get the total number of atoms inside an IChemFile. * * @param file The IChemFile object. * @return The number of Atom object inside. */ public static int getAtomCount(IChemFile file) { int count = 0; for (int i = 0; i < file.getChemSequenceCount(); i++) { count += ChemSequenceManipulator.getAtomCount(file.getChemSequence(i)); } return count; }
@Test public void testGetAtomCount_IChemSequence() { int count = ChemSequenceManipulator.getAtomCount(chemSequence); Assert.assertEquals(6, count); }