[Cdk-commits] SF.net SVN: cdk: [11300] cdk/trunk/src/test/org/openscience/cdk/tools/ manipulator/ChemModelManipulatorTest.java

[<mig...@us...>]

Revision: 11300
          http://cdk.svn.sourceforge.net/cdk/?rev=11300&view=rev
Author:   miguelrojasch
Date:     2008-06-07 01:21:40 -0700 (Sat, 07 Jun 2008)

Log Message:
-----------
test for chemModelManipulator checking if the method getAllAtomContainer_IChemModel extract correctly atoms containers from reaction

Modified Paths:
--------------
    cdk/trunk/src/test/org/openscience/cdk/tools/manipulator/ChemModelManipulatorTest.java

Modified: cdk/trunk/src/test/org/openscience/cdk/tools/manipulator/ChemModelManipulatorTest.java
===================================================================
--- cdk/trunk/src/test/org/openscience/cdk/tools/manipulator/ChemModelManipulatorTest.java	2008-06-06 21:18:38 UTC (rev 11299)
+++ cdk/trunk/src/test/org/openscience/cdk/tools/manipulator/ChemModelManipulatorTest.java	2008-06-07 08:21:40 UTC (rev 11300)
@@ -25,7 +25,9 @@
 import org.junit.Test;
 import org.openscience.cdk.*;
 import org.openscience.cdk.interfaces.*;
+import org.openscience.cdk.io.MDLRXNV2000Reader;
 import org.openscience.cdk.io.MDLV2000Reader;
+import org.openscience.cdk.io.IChemObjectReader.Mode;
 import org.openscience.cdk.NewCDKTestCase;
 import org.openscience.cdk.tools.IDCreator;
 import org.openscience.cdk.tools.LoggingTool;
@@ -94,9 +96,23 @@
         MDLV2000Reader reader = new MDLV2000Reader(ins);
         ChemModel chemFile = (ChemModel)reader.read((ChemObject)new ChemModel());
         Assert.assertNotNull(chemFile);
-        List containersList = ChemModelManipulator.getAllAtomContainers(chemFile);
+        List<IAtomContainer>  containersList = ChemModelManipulator.getAllAtomContainers(chemFile);
         Assert.assertEquals(1, containersList.size());
     }
+
+    @Test
+    public void testGetAllAtomContainers_IChemModel_WithReactions() throws Exception {
+        String filename = "data/mdl/0024.stg02.rxn";
+        logger.info("Testing: " + filename);
+        InputStream ins = this.getClass().getClassLoader().getResourceAsStream(filename);
+
+        MDLRXNV2000Reader reader = new MDLRXNV2000Reader(ins, Mode.STRICT);
+        ChemModel chemFile = (ChemModel)reader.read((ChemObject)new ChemModel());
+        Assert.assertNotNull(chemFile);
+        List<IAtomContainer> containersList = ChemModelManipulator.getAllAtomContainers(chemFile);
+        
+        Assert.assertEquals(2, containersList.size());
+    }
     
     @Test public void testNewChemModel_IAtomContainer()
     {


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