/** * Constructor with attributes given. * * @param rGroupNumber R-Group number * @param restH restH * @param occurrence occurrence * @param requiredRGroupNumber number of other R-Group required * @throws CDKException */ public RGroupList(int rGroupNumber, boolean restH, String occurrence, int requiredRGroupNumber) throws CDKException { setRGroupNumber(rGroupNumber); setRestH(restH); setOccurrence(occurrence); setRequiredRGroupNumber(requiredRGroupNumber); }
String ifThenR= (String) (ifThenBox.getSelectedItem()); if (ifThenR.equals(GT.get("None"))) rgrpList.setRequiredRGroupNumber(0); else { int userRnumInput = new Integer (ifThenR.substring(1)); rgrpList.setRequiredRGroupNumber(userRnumInput);
rgroupList.setRestH(logic.restH); rgroupList.setOccurrence(logic.occurence); rgroupList.setRequiredRGroupNumber(logic.rgoupNumberRequired); } else { rgroupList.setRestH(false); rgroupList.setOccurrence(">0"); rgroupList.setRequiredRGroupNumber(0);
/** * 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; } }