Package org.openscience.cdk.interfaces

Examples of org.openscience.cdk.interfaces.IAtomContainerSet.replaceAtomContainer()

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            for (IReaction reaction : chemModel.getReactionSet().reactions()) {
                int i = 0;
                IAtomContainerSet products = reaction.getProducts();
                for (IAtomContainer product : products.atomContainers()) {
                    try {
                        products.replaceAtomContainer(i,
                                (IAtomContainer) product.clone());
                    } catch (CloneNotSupportedException e) {
                    }
                    i++;
                }
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                }
                i = 0;
                IAtomContainerSet reactants = reaction.getReactants();
                for (IAtomContainer reactant : reactants.atomContainers()) {
                    try {
                        reactants.replaceAtomContainer(i,
                                (IAtomContainer) reactant.clone());
                    } catch (CloneNotSupportedException e) {
                    }
                    i++;
                }
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