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6 | 6 | import java.io.OutputStreamWriter; |
7 | 7 | import java.io.Writer; |
8 | 8 | import java.text.SimpleDateFormat; |
| 9 | +import java.util.ArrayList; |
9 | 10 | import java.util.Collection; |
10 | 11 | import java.util.Date; |
11 | 12 | import java.util.HashMap; |
@@ -152,7 +153,7 @@ public void write(IChemObject object) throws CDKException { |
152 | 153 | channelElement.appendChild(itemsElement); |
153 | 154 | channelElement.addAttribute(new Attribute("rdf:about", NS_RDF, about)); |
154 | 155 | rdfElement.appendChild(channelElement); |
155 | | - List list = new Vector(); |
| 156 | + List<IChemObject> list = new ArrayList<>(); |
156 | 157 | if (object instanceof IAtomContainerSet) { |
157 | 158 | for (int i = 0; i < ((IAtomContainerSet) object).getAtomContainerCount(); i++) { |
158 | 159 | list.add(((IAtomContainerSet) object).getAtomContainer(i)); |
@@ -199,11 +200,11 @@ public void write(IChemObject object) throws CDKException { |
199 | 200 | } |
200 | 201 | Element root = null; |
201 | 202 | Convertor convertor = new Convertor(true, null); |
202 | | - object = (IChemObject) list.get(i); |
203 | | - if (object instanceof IAtomContainer) { |
204 | | - root = convertor.cdkAtomContainerToCMLMolecule((IAtomContainer) object); |
205 | | - } else if (object instanceof ICrystal) { |
| 203 | + object = list.get(i); |
| 204 | + if (object instanceof ICrystal) { |
206 | 205 | root = convertor.cdkCrystalToCMLMolecule((ICrystal) object); |
| 206 | + } else if (object instanceof IAtomContainer) { |
| 207 | + root = convertor.cdkAtomContainerToCMLMolecule((IAtomContainer) object); |
207 | 208 | } else if (object instanceof IAtom) { |
208 | 209 | root = convertor.cdkAtomToCMLAtom(null, (IAtom) object); |
209 | 210 | } else if (object instanceof IBond) { |
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