IAtomContainer longestChain = AtomPlacer.getInitialLongestChain(molecule); logger.debug("Found linear chain of length " + longestChain.getAtomCount()); logger.debug("Setting coordinated of first atom to 0,0");
IAtomContainer longestChain = AtomPlacer.getInitialLongestChain(molecule); logger.debug("Found linear chain of length " + longestChain.getAtomCount()); logger.debug("Setting coordinated of first atom to 0,0");
ac = atomPlacer.getInitialLongestChain(molecule); setAtomsToUnVisited(molecule); setAtomsToUnPlaced(molecule);