/** create new instance in context of parent, overridable by subclasses. * * @param parent parent of element to be constructed (ignored by default) * @return CMLMoleculeList */ public CMLElement makeElementInContext(Element parent) { return new CMLMoleculeList(); }
private CMLMoleculeList cdkAtomContainerSetToCMLList(IAtomContainerSet moleculeSet, boolean setIDs) { CMLMoleculeList cmlList = new CMLMoleculeList(); cmlList.setConvention("cdk:moleculeSet"); if (useCMLIDs && setIDs) { IDCreator.createIDs(moleculeSet); } if (moleculeSet.getID() != null && !moleculeSet.getID().equals("")) cmlList.setId(moleculeSet.getID()); for (int i = 0; i < moleculeSet.getAtomContainerCount(); i++) { IAtomContainer container = moleculeSet.getAtomContainer(i); cmlList.appendChild(cdkAtomContainerToCMLMolecule(container, false, false)); } return cmlList; }
private CMLMoleculeList cdkAtomContainerSetToCMLList(IAtomContainerSet moleculeSet, boolean setIDs) { CMLMoleculeList cmlList = new CMLMoleculeList(); cmlList.setConvention("cdk:moleculeSet"); if (useCMLIDs && setIDs) { IDCreator.createIDs(moleculeSet); } if (moleculeSet.getID() != null && !moleculeSet.getID().equals("")) cmlList.setId(moleculeSet.getID()); for (int i = 0; i < moleculeSet.getAtomContainerCount(); i++) { IAtomContainer container = moleculeSet.getAtomContainer(i); cmlList.appendChild(cdkAtomContainerToCMLMolecule(container, false, false)); } return cmlList; }
/** copy node . * * @return Node */ public Node copy() { return new CMLMoleculeList(this); } /** create new instance in context of parent, overridable by subclasses.