@Test public void testSize() throws Exception { SubstructureFingerprinter fp = new SubstructureFingerprinter(); Assert.assertEquals(307, fp.getSize()); fp = new SubstructureFingerprinter(StandardSubstructureSets.getFunctionalGroupSMARTS()); Assert.assertEquals(307, fp.getSize()); fp = new SubstructureFingerprinter(StandardSubstructureSets.getCountableMACCSSMARTS()); Assert.assertEquals(142, fp.getSize()); }