test for bug: 3055

bioclipse · Aug 31, 2011 · 25456bb · 25456bb
1 parent 9e8dd18
commit 25456bb
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diff --git a/...e.cdk.business.test/src/net/bioclipse/cdk/business/test/AbstractCDKManagerPluginTest.java b/...e.cdk.business.test/src/net/bioclipse/cdk/business/test/AbstractCDKManagerPluginTest.java
@@ -50,6 +50,7 @@
 import net.bioclipse.core.ResourcePathTransformer;
 import net.bioclipse.core.business.BioclipseException;
 import net.bioclipse.core.domain.IMolecule;
+import net.bioclipse.core.domain.IMolecule.Property;
 import net.bioclipse.jobs.BioclipseUIJob;
 import net.bioclipse.ui.business.IUIManager;
 
@@ -256,6 +257,17 @@ public void testLoadMoleculeFromSMILESFile() throws IOException,
         }
 
     }
+
+    @Test
+    public void testBug3055_SmilesProperties() throws Exception {
+        URI uri = getClass().getResource(
+                      "/testFiles/molsforSMILESbug.smi" ).toURI();
+        URL url = FileLocator.toFileURL(uri.toURL());
+        String path = url.getFile();
+        List<ICDKMolecule> mols = cdk.loadSMILESFile(path);
+        assertNotNull( mols.get( 0 ).getProperty("name", 
+                                                 Property.USE_CACHED) );
+    }
 
     @Test
     public void testloadMoleculesFromSMILESCheck() throws Exception {

diff --git a/plugins/net.bioclipse.cdk.business.test/src/testFiles/molsforSMILESbug.smi b/plugins/net.bioclipse.cdk.business.test/src/testFiles/molsforSMILESbug.smi
@@ -0,0 +1,6 @@
+smiles	name	class
+C[NH+](C)CCC(=O)c1ccccc1	NSC_89	1
+c1ccnc(c1)C(=O)[O-]	NSC_171	-1
+CC1CC(C(=O)C(C1)C(CC2CC(=O)NC(=O)C2)O)C	NSC_185	1
+CC1C(OC=C2C1=C(C(=O)C(=C2O)C(=O)[O-])C)C	NSC_186	1
+c1ccc(cc1)/C=C\2/C(=O)OC(=N2)c3ccccc3	NSC_291	1