Package org.openscience.cdk.reaction

Examples of org.openscience.cdk.reaction.ReactionChain


            return;
       
        // do reaction creation
        IReactionSet reactionSet = super.chemModelRelay.getChemModel().getReactionSet();
        if (reactionSet == null) {
            reactionSet = new ReactionChain(); //reactionSet = super.chemModelRelay.getChemModel().getBuilder().newInstance(IReactionSet.class);
            super.chemModelRelay.getChemModel().setReactionSet(reactionSet);
        }
        IReaction reaction = moleculeSet.getBuilder().newInstance(IReaction.class);
        ((ReactionChain) reactionSet).addReaction(reaction, reactionSet.getReactionCount()); //reactionSet.addReaction(reaction);
        reaction.setID(ReactionHub.newReactionId(chemModelRelay));
View Full Code Here

TOP

Related Classes of org.openscience.cdk.reaction.ReactionChain

Copyright © 2018 www.massapicom. 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.