[Cdk-commits] SF.net SVN: cdk: [9189] trunk/cdk/src/org/openscience/cdk/test/atomtype/ CDKAtomTypeMatcherTest.java

[<eg...@us...>]

Revision: 9189
          http://cdk.svn.sourceforge.net/cdk/?rev=9189&view=rev
Author:   egonw
Date:     2007-10-24 07:01:11 -0700 (Wed, 24 Oct 2007)

Log Message:
-----------
Added propyne as test.

Modified Paths:
--------------
    trunk/cdk/src/org/openscience/cdk/test/atomtype/CDKAtomTypeMatcherTest.java

Modified: trunk/cdk/src/org/openscience/cdk/test/atomtype/CDKAtomTypeMatcherTest.java
===================================================================
--- trunk/cdk/src/org/openscience/cdk/test/atomtype/CDKAtomTypeMatcherTest.java	2007-10-24 13:31:03 UTC (rev 9188)
+++ trunk/cdk/src/org/openscience/cdk/test/atomtype/CDKAtomTypeMatcherTest.java	2007-10-24 14:01:11 UTC (rev 9189)
@@ -100,6 +100,23 @@
         assertAtomType(testedAtomTypes, "C.sp2", atm.findMatchingAtomType(mol, atom2));
     }
     
+    @Test public void testPropyne() throws Exception {
+    	IMolecule mol = new Molecule();
+        IAtom atom = new Atom("C");
+        IAtom atom2 = new Atom("C");
+        IAtom atom3 = new Atom("C");
+        mol.addAtom(atom);
+        mol.addAtom(atom2);
+        mol.addAtom(atom3);
+        mol.addBond(0,1,CDKConstants.BONDORDER_TRIPLE);
+        mol.addBond(2,1,CDKConstants.BONDORDER_SINGLE);
+
+        CDKAtomTypeMatcher atm = CDKAtomTypeMatcher.getInstance(mol.getBuilder());
+        assertAtomType(testedAtomTypes, "C.sp", atm.findMatchingAtomType(mol, atom));
+        assertAtomType(testedAtomTypes, "C.sp", atm.findMatchingAtomType(mol, atom2));
+        assertAtomType(testedAtomTypes, "C.sp3", atm.findMatchingAtomType(mol, atom3));
+    }
+    
     @Test public void testFormaldehyde() throws Exception {
     	IMolecule mol = new Molecule();
         IAtom atom = new Atom("O");


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