Package org.openscience.cdk.smiles

Examples of org.openscience.cdk.smiles.FixBondOrdersTool

331
332
333
334
335
336
337
338
339
340
341
                        SmilesParser sp = new SmilesParser(
                                DefaultChemObjectBuilder.getInstance());
                        toPaste = sp.parseSmiles(
                                ((String) transfer.getTransferData(
                                        DataFlavor.stringFlavor)).trim());
                        toPaste = new FixBondOrdersTool().kekuliseAromaticRings(toPaste);

                        IAtomContainerSet mols = ConnectivityChecker.partitionIntoMolecules(toPaste);
                        for(int i=0;i<mols.getAtomContainerCount();i++)
                        {
                            StructureDiagramGenerator sdg =
View Full Code Here
TOP

Related Classes of org.openscience.cdk.smiles.FixBondOrdersTool

  • org.openscience.jchempaint.action.CopyPasteAction
    • 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.