[Cdk-commits] SF.net SVN: cdk: [9224] trunk/cdk/src/org/openscience/cdk/test/ pharmacophore/PharmacophoreMatcherTest.java

[<raj...@us...>]

Revision: 9224
          http://cdk.svn.sourceforge.net/cdk/?rev=9224&view=rev
Author:   rajarshi
Date:     2007-10-25 12:22:19 -0700 (Thu, 25 Oct 2007)

Log Message:
-----------
Added a test case for getters and setters

Modified Paths:
--------------
    trunk/cdk/src/org/openscience/cdk/test/pharmacophore/PharmacophoreMatcherTest.java

Modified: trunk/cdk/src/org/openscience/cdk/test/pharmacophore/PharmacophoreMatcherTest.java
===================================================================
--- trunk/cdk/src/org/openscience/cdk/test/pharmacophore/PharmacophoreMatcherTest.java	2007-10-25 19:15:04 UTC (rev 9223)
+++ trunk/cdk/src/org/openscience/cdk/test/pharmacophore/PharmacophoreMatcherTest.java	2007-10-25 19:22:19 UTC (rev 9224)
@@ -8,6 +8,7 @@
 import org.openscience.cdk.interfaces.IAtomContainer;
 import org.openscience.cdk.io.iterator.IteratingMDLConformerReader;
 import org.openscience.cdk.io.iterator.IteratingMDLReader;
+import org.openscience.cdk.isomorphism.matchers.IQueryAtomContainer;
 import org.openscience.cdk.isomorphism.matchers.QueryAtomContainer;
 import org.openscience.cdk.pharmacophore.PharmacophoreAtom;
 import org.openscience.cdk.pharmacophore.PharmacophoreMatcher;
@@ -25,7 +26,7 @@
 
     public static ConformerContainer conformers = null;
 
-       @Before
+    @Before
     public void setUp() {
     }
 
@@ -173,4 +174,21 @@
         Assert.assertEquals(1, upmatches.size());
 
     }
+
+    @Test
+    public void testGetterSetter() {
+        QueryAtomContainer query = new QueryAtomContainer();
+        PharmacophoreQueryAtom arom = new PharmacophoreQueryAtom("A", "c1ccccc1");
+        PharmacophoreQueryAtom n1 = new PharmacophoreQueryAtom("BasicAmine", "[NX3;h2,h1,H1,H2;!$(NC=O)]");
+        PharmacophoreQueryBond b1 = new PharmacophoreQueryBond(arom, n1, 5.0, 7.0);
+        query.addAtom(arom);
+        query.addAtom(n1);
+        query.addBond(b1);
+
+        PharmacophoreMatcher matcher = new PharmacophoreMatcher();
+        matcher.setPharmacophoreQuery(query);
+        IQueryAtomContainer retQuery = matcher.getPharmacophoreQuery();
+        Assert.assertEquals(2, retQuery.getAtomCount());
+        Assert.assertEquals(1, retQuery.getBondCount());
+    }
 }


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