Fixed inconsistency between accepts() and write: also support writing…

… of IAtomContainerSet and IAtomContainer as accepts() indicates (fixes #2827745) Signed-off-by: rajarshi <rajarshi.guha@gmail.com>
egonw · Jul 30, 2009 · 6380578 · 6380578
1 parent f0678eb
commit 6380578
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Showing 2 changed files with 22 additions and 5 deletions.
diff --git a/src/main/org/openscience/cdk/io/SDFWriter.java b/src/main/org/openscience/cdk/io/SDFWriter.java
@@ -43,7 +43,6 @@
 import org.openscience.cdk.interfaces.IChemModel;
 import org.openscience.cdk.interfaces.IChemObject;
 import org.openscience.cdk.interfaces.IChemSequence;
-import org.openscience.cdk.interfaces.IMolecule;
 import org.openscience.cdk.interfaces.IMoleculeSet;
 import org.openscience.cdk.io.formats.IResourceFormat;
 import org.openscience.cdk.io.formats.SDFFormat;
@@ -147,8 +146,8 @@ public boolean accepts(Class classObject) {
      */
 	public void write(IChemObject object) throws CDKException {
 		try {
-			if (object instanceof IMoleculeSet) {
-				writeMoleculeSet((IMoleculeSet)object);
+			if (object instanceof IAtomContainerSet) {
+				writeMoleculeSet((IAtomContainerSet)object);
 				return;
 			} else if (object instanceof IChemFile) {
 				writeChemFile((IChemFile)object);
@@ -160,8 +159,8 @@ public void write(IChemObject object) throws CDKException {
 				file.addChemSequence(sequence);
 				writeChemFile((IChemFile)file);
 				return;
-			} else if (object instanceof IMolecule) {
-				writeMolecule((IMolecule)object);
+			} else if (object instanceof IAtomContainer) {
+				writeMolecule((IAtomContainer)object);
 				return;
 			}
 		} catch (Exception ex) {

diff --git a/src/test/org/openscience/cdk/io/SDFWriterTest.java b/src/test/org/openscience/cdk/io/SDFWriterTest.java
@@ -37,6 +37,8 @@
 import org.openscience.cdk.DefaultChemObjectBuilder;
 import org.openscience.cdk.Molecule;
 import org.openscience.cdk.MoleculeSet;
+import org.openscience.cdk.interfaces.IAtomContainer;
+import org.openscience.cdk.interfaces.IAtomContainerSet;
 import org.openscience.cdk.interfaces.IChemObjectBuilder;
 import org.openscience.cdk.interfaces.IMoleculeSet;
 import org.openscience.cdk.io.listener.PropertiesListener;
@@ -87,6 +89,22 @@ public class SDFWriterTest extends ChemObjectWriterTest {
         Assert.assertTrue(writer.toString().indexOf("bar") != -1);
     }
 
+    /**
+     * @cdk.bug 2827745
+     */
+    @Test public void testWrite_IAtomContainerSet() throws Exception {
+        StringWriter writer = new StringWriter();
+        IAtomContainerSet molSet = builder.newAtomContainerSet();
+        IAtomContainer molecule = builder.newAtomContainer();
+        molecule.addAtom(builder.newAtom("C"));
+        molSet.addAtomContainer(molecule);
+
+        SDFWriter sdfWriter = new SDFWriter(writer);
+        sdfWriter.write(molSet);
+        sdfWriter.close();
+        Assert.assertNotSame(0, writer.toString().length());
+    }
+
     @Test public void testWrite_IMoleculeSet_Properties() throws Exception {
         StringWriter writer = new StringWriter();
         IMoleculeSet molSet = new MoleculeSet();