@Test(expected = CDKException.class) public void testOccurrenceNoNegativeNumber() throws CDKException { RGroupList rgrLst = new RGroupList(1); rgrLst.setOccurrence("-10"); }
@Test(expected = CDKException.class) public void testOccurrenceNumericValues() throws CDKException { RGroupList rgrLst = new RGroupList(1); rgrLst.setOccurrence("a,3,10"); }
@Test(expected = CDKException.class) public void testOccurrenceNotSmallerThanZero() throws CDKException { RGroupList rgrLst = new RGroupList(1); rgrLst.setOccurrence("<0"); }
if (RGroupQuery.isValidRgroupQueryLabel(rGroup.getLabel())) { int rgroupNum = Integer.valueOf(rGroup.getLabel().substring(1)); RGroupList rgroupList = new RGroupList(rgroupNum); if (!rGroupDefinitions.containsKey(rgroupNum)) { logger.info("Define Rgroup R" + rgroupNum);
/** * Clones an RGroupList * * @param original * @return */ private static RGroupList makeClone(RGroupList original) { RGroupList clone = new RGroupList(original.getRGroupNumber()); try { clone.setOccurrence(original.getOccurrence()); clone.setRequiredRGroupNumber(original.getRequiredRGroupNumber()); clone.setRestH(original.isRestH()); List<RGroup> rgpList = new ArrayList<RGroup>(); for (RGroup r : original.getRGroups()) { rgpList.add(r); } clone.setRGroups(rgpList); } catch (CDKException e) { e.printStackTrace(); } return clone; } }
@Test public void testOccurrenceNull() throws CDKException { RGroupList rgrLst = new RGroupList(1); rgrLst.setOccurrence(null); Assert.assertEquals(rgrLst.getOccurrence(), RGroupList.DEFAULT_OCCURRENCE); }
@Test public void testOccurrenceCorrect() throws CDKException { RGroupList rgrLst = new RGroupList(1); rgrLst.setOccurrence("1, 3-7, 9, >11"); Assert.assertEquals(rgrLst.getOccurrence(), "1,3-7,9,>11"); }
RGroupList rList = new RGroupList(rNum); rList.setRGroups(new ArrayList<RGroup>()); rgrpQuery.getRGroupDefinitions().put(rNum, rList);