Package org.openscience.cdk.tools

Examples of org.openscience.cdk.tools.SaturationChecker.saturate()


      for (IBond bond : ac.bonds()) {
        IBond.Order[] orders = new IBond.Order[2];
        orders[1] = bond.getOrder();
        changedBonds.put(bond, orders);
      }
      satChecker.saturate(ac);
      for (IBond bond : ac.bonds()) {
        IBond.Order[] orders = changedBonds.get(bond);
        orders[0] = bond.getOrder();
        changedBonds.put(bond, orders);
      }
View Full Code Here

TOP
Copyright © 2018 www.massapi.com. All rights reserved.
All source code are property of their respective owners. Java is a trademark of Sun Microsystems, Inc and owned by ORACLE Inc. Contact coftware#gmail.com.