/** * Walks throught the atoms of each ring in a ring set and marks * a ring as PLACED if all of its atoms have been placed. * * @param rs The ringset to be checked */ public void checkAndMarkPlaced(IRingSet rs) { IRing ring = null; boolean allPlaced = true; boolean ringsetPlaced = true; for (int i = 0; i < rs.getAtomContainerCount(); i++) { ring = (IRing) rs.getAtomContainer(i); allPlaced = true; for (int j = 0; j < ring.getAtomCount(); j++) { if (!((IAtom) ring.getAtom(j)).getFlag(CDKConstants.ISPLACED)) { allPlaced = false; ringsetPlaced = false; break; } } ring.setFlag(CDKConstants.ISPLACED, allPlaced); } rs.setFlag(CDKConstants.ISPLACED, ringsetPlaced); }
/** * Walks throught the atoms of each ring in a ring set and marks * a ring as PLACED if all of its atoms have been placed. * * @param rs The ringset to be checked */ public void checkAndMarkPlaced(IRingSet rs) { IRing ring = null; boolean allPlaced = true; boolean ringsetPlaced = true; for (int i = 0; i < rs.getAtomContainerCount(); i++) { ring = (IRing) rs.getAtomContainer(i); allPlaced = true; for (int j = 0; j < ring.getAtomCount(); j++) { if (!((IAtom) ring.getAtom(j)).getFlag(CDKConstants.ISPLACED)) { allPlaced = false; ringsetPlaced = false; break; } } ring.setFlag(CDKConstants.ISPLACED, allPlaced); } rs.setFlag(CDKConstants.ISPLACED, ringsetPlaced); }
rset.setFlag(CDKConstants.ISPLACED, true); ringPlacer.placeRingSubstituents(rset, bondLength);
rset.setFlag(CDKConstants.ISPLACED, true); ringPlacer.placeRingSubstituents(rset, bondLength);
for (IAtomContainer container : rs.atomContainers()) container.setFlag(CDKConstants.ISPLACED, true); rs.setFlag(CDKConstants.ISPLACED, true); return macro ? 2 : 1; } else {
for (IAtomContainer container : rs.atomContainers()) container.setFlag(CDKConstants.ISPLACED, true); rs.setFlag(CDKConstants.ISPLACED, true); return macro ? 2 : 1; } else {