CML Bond Conversion Test [patch:3530233]

- Added tests for correct wedge/hatch bond conversion - Added ConvertorTest to libiocml test suite Change-Id: Ia77be2d00267159ebb24ca3e43d3340914258e15 Signed-off-by: Egon Willighagen <egonw@users.sourceforge.net>
cdk · Jun 14, 2012 · 63f0aeb · 63f0aeb
1 parent b4e480c
commit 63f0aeb
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diff --git a/src/test/org/openscience/cdk/libio/cml/ConvertorTest.java b/src/test/org/openscience/cdk/libio/cml/ConvertorTest.java
@@ -25,13 +25,21 @@
  */
 package org.openscience.cdk.libio.cml;
 
+import nu.xom.Document;
+import nu.xom.Serializer;
 import org.junit.Assert;
 import org.junit.Test;
 import org.openscience.cdk.Atom;
 import org.openscience.cdk.CDKTestCase;
+import org.openscience.cdk.DefaultChemObjectBuilder;
 import org.openscience.cdk.interfaces.IBond;
+import org.openscience.cdk.interfaces.IChemObjectBuilder;
 import org.openscience.cdk.libio.md.MDMolecule;
 import org.xmlcml.cml.element.CMLAtom;
+import org.xmlcml.cml.element.CMLBond;
+
+import java.io.ByteArrayOutputStream;
+import java.io.IOException;
 
 /**
  * @cdk.module test-libiocml
@@ -62,4 +70,61 @@ public class ConvertorTest extends CDKTestCase {
         Assert.assertEquals(cmlatom.getHydrogenCount(),0);
     }
 
+
+    @Test
+    public void testCdkBondToCMLBond_Wedge() throws IOException {
+
+
+        IChemObjectBuilder builder = DefaultChemObjectBuilder.getInstance();
+        IBond bond = builder.newInstance(IBond.class);
+        bond.setOrder(IBond.Order.SINGLE);
+        bond.setStereo(IBond.Stereo.UP);
+
+        Convertor convertor = new Convertor(true, null);
+        CMLBond cmlBond = convertor.cdkBondToCMLBond(bond);
+
+        ByteArrayOutputStream out = new ByteArrayOutputStream();
+
+        Serializer serializer = new Serializer(out, "UTF-8");
+
+        serializer.write(new Document(cmlBond));
+
+        out.close();
+
+        String expected = "<bondStereo dictRef=\"cml:W\">W</bondStereo>";
+        String actual = new String(out.toByteArray());
+
+        Assert.assertTrue(actual.contains(expected));
+
+    }
+
+    @Test
+    public void testCdkBondToCMLBond_Hatch() throws IOException {
+
+
+        IChemObjectBuilder builder = DefaultChemObjectBuilder.getInstance();
+        IBond bond = builder.newInstance(IBond.class);
+        bond.setOrder(IBond.Order.SINGLE);
+        bond.setStereo(IBond.Stereo.DOWN);
+
+        Convertor convertor = new Convertor(true, null);
+        CMLBond cmlBond = convertor.cdkBondToCMLBond(bond);
+
+        ByteArrayOutputStream out = new ByteArrayOutputStream();
+
+        Serializer serializer = new Serializer(out, "UTF-8");
+
+        serializer.write(new Document(cmlBond));
+
+        out.close();
+
+        String expected = "<bondStereo dictRef=\"cml:H\">H</bondStereo>";
+        String actual = new String(out.toByteArray());
+
+        Assert.assertTrue(actual.contains(expected));
+
+
+    }
+
+
 }
diff --git a/src/test/org/openscience/cdk/modulesuites/MlibiocmlTests.java b/src/test/org/openscience/cdk/modulesuites/MlibiocmlTests.java
@@ -26,6 +26,7 @@
 import org.openscience.cdk.io.cml.CML2Test;
 import org.openscience.cdk.io.cml.CML2WriterTest;
 import org.openscience.cdk.io.cml.CMLRoundTripTest;
+import org.openscience.cdk.libio.cml.ConvertorTest;
 
 /**
  * TestSuite that runs all the unit tests for the CDK module libiocml.
@@ -36,6 +37,7 @@
 @SuiteClasses(value={
     CML2Test.class,
     CML2WriterTest.class,
-    CMLRoundTripTest.class
+    CMLRoundTripTest.class,
+    ConvertorTest.class
 })
 public class MlibiocmlTests {}