Examples with SymbolAndChargeQueryAtom org.openscience.cdk.isomorphism.matchers.SymbolAndChargeQueryAtom used on opensource projects

Example 1 with SymbolAndChargeQueryAtom

use of org.openscience.cdk.isomorphism.matchers.SymbolAndChargeQueryAtom in project cdk by cdk.

the class SMARTSTest method testMatchInherited.

@Test
public void testMatchInherited() {
    try {
        IChemObjectBuilder builder = DefaultChemObjectBuilder.getInstance();
        SymbolQueryAtom c1 = new SymbolQueryAtom(new org.openscience.cdk.Atom("C"));
        SymbolAndChargeQueryAtom c2 = new SymbolAndChargeQueryAtom(new org.openscience.cdk.Atom("C"));
        IAtomContainer c = TestMoleculeFactory.makeAlkane(2);
        QueryAtomContainer query1 = new QueryAtomContainer(builder);
        query1.addAtom(c1);
        query1.addAtom(c2);
        query1.addBond(new OrderQueryBond(c1, c2, Order.SINGLE, builder));
        Assert.assertTrue(uiTester.isSubgraph(c, query1));
        QueryAtomContainer query = new QueryAtomContainer(builder);
        query.addAtom(c1);
        query.addAtom(c2);
        query.addBond(new AnyOrderQueryBond(c1, c2, Order.SINGLE, builder));
        Assert.assertTrue(uiTester.isSubgraph(c, query));
    } catch (CDKException exception) {
        Assert.fail(exception.getMessage());
    }
}