Unit test for writing a custom title

egonw · egonw · commit 40c40eeac821 · 2019-05-15T17:10:04.000+02:00
diff --git a/storage/ctab/src/test/java/org/openscience/cdk/io/MDLV3000WriterTest.java b/storage/ctab/src/test/java/org/openscience/cdk/io/MDLV3000WriterTest.java
@@ -32,6 +32,7 @@
 import org.openscience.cdk.interfaces.IBond;
 import org.openscience.cdk.interfaces.IChemObjectBuilder;
 import org.openscience.cdk.interfaces.ITetrahedralChirality;
+import org.openscience.cdk.io.listener.PropertiesListener;
 import org.openscience.cdk.sgroup.Sgroup;
 import org.openscience.cdk.sgroup.SgroupKey;
 import org.openscience.cdk.sgroup.SgroupType;
@@ -48,6 +49,7 @@
 import java.util.ArrayList;
 import java.util.Collections;
 import java.util.List;
+import java.util.Properties;
 
 import static org.hamcrest.CoreMatchers.containsString;
 import static org.junit.Assert.assertThat;
@@ -446,6 +448,26 @@ public void writeDimensionField3D() throws Exception {
         assertThat(sw.toString(), containsString("3D"));
     }
 
+    @Test
+    public void writeCustomTitle() throws Exception {
+        IChemObjectBuilder builder = SilentChemObjectBuilder.getInstance();
+        IAtomContainer mol = builder.newAtomContainer();
+        IAtom atom = builder.newAtom();
+        atom.setSymbol("C");
+        atom.setImplicitHydrogenCount(4);
+        atom.setPoint3d(new Point3d(0.5, 0.5, 0.1));
+        mol.addAtom(atom);
+        StringWriter sw = new StringWriter();
+        try (MDLV3000Writer mdlw = new MDLV3000Writer(sw)) {
+            Properties sdfWriterProps = new Properties();
+            sdfWriterProps.put("PorgramName", "FakeNews");
+            mdlw.addChemObjectIOListener(new PropertiesListener(sdfWriterProps));
+            // mdlw.customizeJob();
+            mdlw.write(mol);
+        }
+        assertThat(sw.toString(), containsString("FakeNews"));
+    }
+
     private String writeToStr(IAtomContainer mol) throws IOException, CDKException {
         StringWriter sw = new StringWriter();
         try (MDLV3000Writer mdlw = new MDLV3000Writer(sw)) {
