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Added a unit test for the perception of Co.plus (bug #3529082)
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Change-Id: If0ad6e939fd3282fd8ba625bcf5070c9f8ed86a7
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egonw committed Jul 1, 2012
1 parent 32b1b33 commit 232657a
Showing 1 changed file with 15 additions and 0 deletions.
15 changes: 15 additions & 0 deletions src/test/org/openscience/cdk/atomtype/CDKAtomTypeMatcherTest.java
Expand Up @@ -3925,6 +3925,21 @@ public void test_Co_plus_5() throws Exception {
assertAtomTypes(testedAtomTypes, expectedTypes, mol);
}

/**
* @cdk.bug 3529082
*/
@Test
public void test_Co_plus() throws Exception {
IChemObjectBuilder builder = DefaultChemObjectBuilder.getInstance();
IMolecule mol = builder.newInstance(IMolecule.class);
IAtom a2 = builder.newInstance(IAtom.class,"Co");
a2.setFormalCharge(1);
mol.addAtom(a2);

String[] expectedTypes = {"Co.plus"};
assertAtomTypes(testedAtomTypes, expectedTypes, mol);
}

@Test
public void test_Co_plus_1() throws Exception {
IChemObjectBuilder builder = DefaultChemObjectBuilder.getInstance();
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