@Override public <T extends IChemObject> T read(T object) throws CDKException { if (object instanceof IChemFile) { return (T) readChemFile((IChemFile) object); } else if (object instanceof IChemModel) { return (T) readChemModel((IChemModel) object); } else if (object instanceof IAtomContainer) { return (T) readMolecule((IAtomContainer) object); } else { throw new CDKException("Only supported are ChemFile and Molecule."); } }
@Override public <T extends IChemObject> T read(T object) throws CDKException { if (object instanceof IChemFile) { return (T) readChemFile((IChemFile) object); } else if (object instanceof IChemModel) { return (T) readChemModel((IChemModel) object); } else if (object instanceof IAtomContainer) { return (T) readMolecule((IAtomContainer) object); } else { throw new CDKException("Only supported are ChemFile and Molecule."); } }
private IChemModel readChemModel(IChemModel chemModel) throws CDKException { IAtomContainerSet setOfMolecules = chemModel.getMoleculeSet(); if (setOfMolecules == null) { setOfMolecules = chemModel.getBuilder().newInstance(IAtomContainerSet.class); } IAtomContainer m = readMolecule(chemModel.getBuilder().newInstance(IAtomContainer.class)); if (m != null) { setOfMolecules.addAtomContainer(m); } chemModel.setMoleculeSet(setOfMolecules); return chemModel; }
private IChemModel readChemModel(IChemModel chemModel) throws CDKException { IAtomContainerSet setOfMolecules = chemModel.getMoleculeSet(); if (setOfMolecules == null) { setOfMolecules = chemModel.getBuilder().newInstance(IAtomContainerSet.class); } IAtomContainer m = readMolecule(chemModel.getBuilder().newInstance(IAtomContainer.class)); if (m != null) { setOfMolecules.addAtomContainer(m); } chemModel.setMoleculeSet(setOfMolecules); return chemModel; }
IAtomContainer m = readMolecule(chemFile.getBuilder().newInstance(IAtomContainer.class)); if (m != null) setOfMolecules.addAtomContainer(m); chemModel.setMoleculeSet(setOfMolecules); firstLineisMolecule = true; while (m != null) { m = readMolecule(chemFile.getBuilder().newInstance(IAtomContainer.class)); if (m != null) { setOfMolecules.addAtomContainer(m);
IAtomContainer m = readMolecule(chemFile.getBuilder().newInstance(IAtomContainer.class)); if (m != null) setOfMolecules.addAtomContainer(m); chemModel.setMoleculeSet(setOfMolecules); firstLineisMolecule = true; while (m != null) { m = readMolecule(chemFile.getBuilder().newInstance(IAtomContainer.class)); if (m != null) { setOfMolecules.addAtomContainer(m);