AbstractChemObjectBuilderTest.java

/* Copyright (C) 2010  Egon Willighagen <egonw@users.sf.net>
 * 
 * Contact: cdk-devel@lists.sourceforge.net
 * 
 * This program is free software; you can redistribute it and/or
 * modify it under the terms of the GNU Lesser General Public License
 * as published by the Free Software Foundation; either version 2.1
 * of the License, or (at your option) any later version.
 * 
 * This program is distributed in the hope that it will be useful,
 * but WITHOUT ANY WARRANTY; without even the implied warranty of
 * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE.  See the
 * GNU Lesser General Public License for more details.
 * 
 * You should have received a copy of the GNU Lesser General Public License
 * along with this program; if not, write to the Free Software
 * Foundation, Inc., 51 Franklin St, Fifth Floor, Boston, MA 02110-1301 USA. 
 */
package org.openscience.cdk;

import javax.vecmath.Point2d;
import javax.vecmath.Point3d;

import org.junit.Assert;
import org.junit.Test;
import org.openscience.cdk.interfaces.IAdductFormula;
import org.openscience.cdk.interfaces.IAminoAcid;
import org.openscience.cdk.interfaces.IAtom;
import org.openscience.cdk.interfaces.IAtomContainer;
import org.openscience.cdk.interfaces.IAtomContainerSet;
import org.openscience.cdk.interfaces.IAtomParity;
import org.openscience.cdk.interfaces.IAtomType;
import org.openscience.cdk.interfaces.IBioPolymer;
import org.openscience.cdk.interfaces.IBond;
import org.openscience.cdk.interfaces.IChemFile;
import org.openscience.cdk.interfaces.IChemModel;
import org.openscience.cdk.interfaces.IChemObject;
import org.openscience.cdk.interfaces.IChemSequence;
import org.openscience.cdk.interfaces.ICrystal;
import org.openscience.cdk.interfaces.IElectronContainer;
import org.openscience.cdk.interfaces.IElement;
import org.openscience.cdk.interfaces.IFragmentAtom;
import org.openscience.cdk.interfaces.IIsotope;
import org.openscience.cdk.interfaces.ILonePair;
import org.openscience.cdk.interfaces.IMapping;
import org.openscience.cdk.interfaces.IMolecularFormula;
import org.openscience.cdk.interfaces.IMolecularFormulaSet;
import org.openscience.cdk.interfaces.IMolecule;
import org.openscience.cdk.interfaces.IMoleculeSet;
import org.openscience.cdk.interfaces.IMonomer;
import org.openscience.cdk.interfaces.IChemObjectBuilder;
import org.openscience.cdk.interfaces.IPDBAtom;
import org.openscience.cdk.interfaces.IPDBMonomer;
import org.openscience.cdk.interfaces.IPDBPolymer;
import org.openscience.cdk.interfaces.IPDBStructure;
import org.openscience.cdk.interfaces.IPolymer;
import org.openscience.cdk.interfaces.IPseudoAtom;
import org.openscience.cdk.interfaces.IReaction;
import org.openscience.cdk.interfaces.IReactionScheme;
import org.openscience.cdk.interfaces.IReactionSet;
import org.openscience.cdk.interfaces.IRing;
import org.openscience.cdk.interfaces.IRingSet;
import org.openscience.cdk.interfaces.ISingleElectron;
import org.openscience.cdk.interfaces.IStrand;

/**
 * Checks the functionality of {@link IChemObjectBuilder} implementations.
 *
 * @cdk.module test-interfaces
 */
public abstract class AbstractChemObjectBuilderTest extends CDKTestCase {

    private static IChemObject rootObject;

    public static IChemObject getRootObject() {
        return rootObject;
    }

    public static void setRootObject(IChemObject rootObject) {
        AbstractChemObjectBuilderTest.rootObject = rootObject;
    }

    @Test(expected=IllegalArgumentException.class)
    public void testNewInstance_Class_arrayObject() throws Exception {
        // throw random stuff; it should fail
        IChemObjectBuilder builder = rootObject.getBuilder();
        builder.newInstance(
            IAtom.class,
            new Object[2]
        );
    }

    @Test(expected=IllegalArgumentException.class)
    public void testIncorrectNumberOf() {
        IChemObjectBuilder builder = rootObject.getBuilder();
        builder.newInstance(
            IAtom.class,
            builder.newInstance(IAtomContainer.class)
        );
    }

    @Test
    public void testNewAtom() {
        IChemObjectBuilder builder = rootObject.getBuilder();
        IAtom atom = builder.newInstance(IAtom.class);
        Assert.assertNotNull(atom);
        Assert.assertNull(atom.getSymbol());
    }

    @Test
    public void testNewAtom_IElement() {
        IChemObjectBuilder builder = rootObject.getBuilder();
        IAtom atom = builder.newInstance(
            IAtom.class, builder.newInstance(IElement.class, "N")
        );
        Assert.assertNotNull(atom);
        Assert.assertEquals("N", atom.getSymbol());
    }

    @Test public void testNewAminoAcid() {
        IChemObjectBuilder builder = rootObject.getBuilder();
        IAminoAcid aa = builder.newInstance(IAminoAcid.class);
        Assert.assertNotNull(aa);
    }

    @Test public void testNewAtom_String() {
        IChemObjectBuilder builder = rootObject.getBuilder();
        IAtom atom = builder.newInstance(IAtom.class, "C");
        Assert.assertNotNull(atom);
        Assert.assertEquals("C", atom.getSymbol());
    }

    @Test public void testNewAtom_String_Point2d() {
        IChemObjectBuilder builder = rootObject.getBuilder();
        Point2d coord = new Point2d(1,2);
        IAtom atom = builder.newInstance(IAtom.class, "C", coord);
        Assert.assertNotNull(atom);
        Assert.assertEquals("C", atom.getSymbol());
        assertEquals(coord, atom.getPoint2d(), 0.0);
    }
    
    @Test public void testNewAtom_String_Point3d() {
        IChemObjectBuilder builder = rootObject.getBuilder();
        Point3d coord = new Point3d(1,2,3);
        IAtom atom = builder.newInstance(IAtom.class, "C", coord);
        Assert.assertNotNull(atom);
        Assert.assertEquals("C", atom.getSymbol());
        assertEquals(coord, atom.getPoint3d(), 0.0);
    }
    
    @Test public void testNewAtomContainer() {
        IChemObjectBuilder builder = rootObject.getBuilder();
        IAtomContainer container = builder.newInstance(IAtomContainer.class);
        Assert.assertNotNull(container);
    }
    
    @Test public void testNewAtomContainer_int_int_int_int() {
        IChemObjectBuilder builder = rootObject.getBuilder();
        IAtomContainer container = builder.newInstance(IAtomContainer.class, 1, 2, 3, 4);
        Assert.assertNotNull(container);
    }
    
    @Test public void testNewAtomContainer_IAtomContainer() {
        IChemObjectBuilder builder = rootObject.getBuilder();
        IAtomContainer container = builder.newInstance(IAtomContainer.class);
        Assert.assertNotNull(container);
        IAtomContainer second = builder.newInstance(IAtomContainer.class, container);
        Assert.assertNotNull(second);
    }
    
    @Test public void testNewAtomParity_IAtom_IAtom_IAtom_IAtom_IAtom_int() {
        IChemObjectBuilder builder = rootObject.getBuilder();
        IAtomParity parity = builder.newInstance(
            IAtomParity.class,
            builder.newInstance(IAtom.class),
            builder.newInstance(IAtom.class),
            builder.newInstance(IAtom.class),
            builder.newInstance(IAtom.class),
            builder.newInstance(IAtom.class),
            -1
        );
        Assert.assertNotNull(parity);
    }
    
    @Test public void testNewAtomType_String() {
        IChemObjectBuilder builder = rootObject.getBuilder();
        IAtomType type = builder.newInstance(IAtomType.class, "C");
        Assert.assertNotNull(type);
    }
    
    @Test public void testNewAtomType_IElement() {
        IChemObjectBuilder builder = rootObject.getBuilder();
        IAtomType type = builder.newInstance(
            IAtomType.class,
            builder.newInstance(IElement.class, "C")
        );
        Assert.assertNotNull(type);
    }
    
    @Test public void testNewAtomType_String_String() {
        IChemObjectBuilder builder = rootObject.getBuilder();
        IAtomType type = builder.newInstance(IAtomType.class, "C", "C.sp2");
        Assert.assertNotNull(type);
    }
    
    @Test public void testNewBioPolymer() {
        IChemObjectBuilder builder = rootObject.getBuilder();
        IBioPolymer polymer = builder.newInstance(IBioPolymer.class);
        Assert.assertNotNull(polymer);
    }
    
    @Test public void testNewBond() {
        IChemObjectBuilder builder = rootObject.getBuilder();
        IBond bond = builder.newInstance(IBond.class);
        Assert.assertNotNull(bond);
    }
    
    @Test public void testNewBond_IAtom_IAtom() {
        IChemObjectBuilder builder = rootObject.getBuilder();
        IBond bond = builder.newInstance(
            IBond.class,
            builder.newInstance(IAtom.class),
            builder.newInstance(IAtom.class)
        );
        Assert.assertNotNull(bond);
    }
    
    @Test public void testNewBond_IAtom_IAtom_IBond_Order() {
        IChemObjectBuilder builder = rootObject.getBuilder();
        IBond bond = builder.newInstance(
            IBond.class,
            builder.newInstance(IAtom.class),
            builder.newInstance(IAtom.class),
            IBond.Order.SINGLE
        );
        Assert.assertNotNull(bond);
    }
    
    @Test public void testNewBond_IAtom_IAtom_IBond_Order_IBond_Stereo() {
        IChemObjectBuilder builder = rootObject.getBuilder();
        IBond bond = builder.newInstance(
            IBond.class,
            builder.newInstance(IAtom.class),
            builder.newInstance(IAtom.class),
            IBond.Order.SINGLE,
            IBond.Stereo.E_OR_Z
        );
        Assert.assertNotNull(bond);
    }

    @Test public void testNewBond_arrayIAtom() {
        IChemObjectBuilder builder = rootObject.getBuilder();
        IBond bond = builder.newInstance(
            IBond.class,
            (Object[])new IAtom[] {
                builder.newInstance(IAtom.class),
                builder.newInstance(IAtom.class)
            }
        );
        Assert.assertNotNull(bond);
    }

    @Test public void testNewBond_arrayIAtom_IBond_Order() {
        IChemObjectBuilder builder = rootObject.getBuilder();
        IBond bond = builder.newInstance(
            IBond.class,
            (Object[])new IAtom[] {
                builder.newInstance(IAtom.class),
                builder.newInstance(IAtom.class)
            },
            IBond.Order.DOUBLE
        );
        Assert.assertNotNull(bond);
    }

    @Test public void testNewChemFile() {
        IChemObjectBuilder builder = rootObject.getBuilder();
        IChemFile file = builder.newInstance(IChemFile.class);
        Assert.assertNotNull(file);
    }
    
    @Test public void testNewChemModel() {
        IChemObjectBuilder builder = rootObject.getBuilder();
        IChemModel model = builder.newInstance(IChemModel.class);
        Assert.assertNotNull(model);
    }

    @Test public void testNewChemObject() {
        IChemObjectBuilder builder = rootObject.getBuilder();
        IChemObject model = builder.newInstance(IChemObject.class);
        Assert.assertNotNull(model);
    }

    @Test public void testNewChemObject_IChemObject() {
        IChemObjectBuilder builder = rootObject.getBuilder();
        IChemObject model = builder.newInstance(
            IChemObject.class,
            builder.newInstance(IChemObject.class)
        );
        Assert.assertNotNull(model);
    }

    @Test public void testNewChemSequence() {
        IChemObjectBuilder builder = rootObject.getBuilder();
        IChemSequence sequence = builder.newInstance(IChemSequence.class);
        Assert.assertNotNull(sequence);
    }
    
    @Test public void testNewCrystal() {
        IChemObjectBuilder builder = rootObject.getBuilder();
        ICrystal crystal = builder.newInstance(ICrystal.class);
        Assert.assertNotNull(crystal);
    }
    
    @Test public void testNewCrystal_IAtomContainer() {
        IChemObjectBuilder builder = rootObject.getBuilder();
        ICrystal crystal = builder.newInstance(
            ICrystal.class,
            builder.newInstance(IAtomContainer.class)
        );
        Assert.assertNotNull(crystal);
    }
    
    @Test public void testNewElectronContainer() {
        IChemObjectBuilder builder = rootObject.getBuilder();
        IElectronContainer container = builder.newInstance(IElectronContainer.class);
        Assert.assertNotNull(container);
    }

    @Test public void testNewElement() {
        IChemObjectBuilder builder = rootObject.getBuilder();
        IElement element = builder.newInstance(IElement.class);
        Assert.assertNotNull(element);
    }
    
    @Test public void testNewElement_IElement() {
        IChemObjectBuilder builder = rootObject.getBuilder();
        IElement element = builder.newInstance(
            IElement.class,
            builder.newInstance(IElement.class)
        );
        Assert.assertNotNull(element);
    }
    
    @Test public void testNewElement_String() {
        IChemObjectBuilder builder = rootObject.getBuilder();
        IElement element = builder.newInstance(IElement.class, "C");
        Assert.assertNotNull(element);
    }
    
    @Test public void testNewElement_String_int() {
        IChemObjectBuilder builder = rootObject.getBuilder();
        IElement element = builder.newInstance(IElement.class, "C", 13);
        Assert.assertNotNull(element);
    }

    @Test public void testNewIsotope_int_String_double_double() {
        IChemObjectBuilder builder = rootObject.getBuilder();
        IIsotope isotope = builder.newInstance(IIsotope.class, 6, "C", 1.0, 1.0);
        Assert.assertNotNull(isotope);
    }
    
    @Test public void testNewIsotope_int_String_int_double_double() {
        IChemObjectBuilder builder = rootObject.getBuilder();
        IIsotope isotope = builder.newInstance(IIsotope.class, 6, "C", 13, 1.0, 1.0);
        Assert.assertNotNull(isotope);
    }
    
    @Test public void testNewIsotope_IElement() {
        IChemObjectBuilder builder = rootObject.getBuilder();
        IIsotope isotope = builder.newInstance(
            IIsotope.class,
            builder.newInstance(IElement.class)
        );
        Assert.assertNotNull(isotope);
    }
    
    @Test public void testNewIsotope_String() {
        IChemObjectBuilder builder = rootObject.getBuilder();
        IIsotope isotope = builder.newInstance(IIsotope.class, "C");
        Assert.assertNotNull(isotope);
    }
    
    @Test public void testNewIsotope_String_int() {
        IChemObjectBuilder builder = rootObject.getBuilder();
        IIsotope isotope = builder.newInstance(IIsotope.class, "C", 13);
        Assert.assertNotNull(isotope);
    }

    @Test public void testNewLonePair() {
        IChemObjectBuilder builder = rootObject.getBuilder();
        ILonePair lonePair = builder.newInstance(ILonePair.class);
        Assert.assertNotNull(lonePair);
    }   

    @Test public void testNewLonePair_IAtom() {
        IChemObjectBuilder builder = rootObject.getBuilder();
        ILonePair lonePair = builder.newInstance(ILonePair.class, builder.newInstance(IAtom.class));
        Assert.assertNotNull(lonePair);
    }   

    @Test public void testNewMapping_IChemObject_IChemObject() {
        IChemObjectBuilder builder = rootObject.getBuilder();
        IMapping mapping = builder.newInstance(
            IMapping.class,
            builder.newInstance(IChemObject.class),
            builder.newInstance(IChemObject.class)
        );
        Assert.assertNotNull(mapping);
    }
    
    @Test public void testNewMolecule() {
        IChemObjectBuilder builder = rootObject.getBuilder();
        IMolecule lonePair = builder.newInstance(IMolecule.class);
        Assert.assertNotNull(lonePair);
    }   

    @Test public void testNewMolecule_int_int_int_int() {
        IChemObjectBuilder builder = rootObject.getBuilder();
        IMolecule lonePair = builder.newInstance(IMolecule.class, 1,2,3,4);
        Assert.assertNotNull(lonePair);
    }   

    @Test public void testNewMolecule_IAtomContainer() {
        IChemObjectBuilder builder = rootObject.getBuilder();
        IMolecule lonePair = builder.newInstance(
            IMolecule.class,
            builder.newInstance(IAtomContainer.class)
        );
        Assert.assertNotNull(lonePair);
    }   

    @Test public void testNewMonomer() {
        IChemObjectBuilder builder = rootObject.getBuilder();
        IMonomer monomer = builder.newInstance(IMonomer.class);
        Assert.assertNotNull(monomer);
    }   

    @Test public void testNewPolymer() {
        IChemObjectBuilder builder = rootObject.getBuilder();
        IPolymer polymer = builder.newInstance(IPolymer.class);
        Assert.assertNotNull(polymer);
    }   
    
    @Test public void testNewPDBAtom_IElement() {
        IChemObjectBuilder builder = rootObject.getBuilder();
        IPDBAtom atom = builder.newInstance(
            IPDBAtom.class,
            builder.newInstance(IElement.class)
        );
        Assert.assertNotNull(atom);
    }   
    
    @Test public void testNewPDBAtom_String() {
        IChemObjectBuilder builder = rootObject.getBuilder();
        IPDBAtom atom = builder.newInstance(
            IPDBAtom.class,
            "O.3"
        );
        Assert.assertNotNull(atom);
    }   
    
    @Test public void testNewPDBAtom_String_Point3D() {
        IChemObjectBuilder builder = rootObject.getBuilder();
        IPDBAtom atom = builder.newInstance(
            IPDBAtom.class,
            "O.3", new Point3d(1,2,3)
        );
        Assert.assertNotNull(atom);
    }
    
    @Test public void testNewPDBPolymer() {
        IChemObjectBuilder builder = rootObject.getBuilder();
        IPDBPolymer polymer = builder.newInstance(IPDBPolymer.class);
        Assert.assertNotNull(polymer);
    }
    
    @Test public void testNewPDBStructure() {
        IChemObjectBuilder builder = rootObject.getBuilder();
        IPDBStructure structure = builder.newInstance(IPDBStructure.class);
        Assert.assertNotNull(structure);
    }
    
    @Test public void testNewPDBMonomer() {
        IChemObjectBuilder builder = rootObject.getBuilder();
        IPDBMonomer monomer = builder.newInstance(IPDBMonomer.class);
        Assert.assertNotNull(monomer);
    }
    
    @Test public void testNewPseudoAtom() {
        IChemObjectBuilder builder = rootObject.getBuilder();
        IPseudoAtom atom = builder.newInstance(IPseudoAtom.class);
        Assert.assertNotNull(atom);
    }

    @Test public void testNewPseudoAtom_IElement() {
        IChemObjectBuilder builder = rootObject.getBuilder();
        IPseudoAtom atom = builder.newInstance(
            IPseudoAtom.class, builder.newInstance(IElement.class)
        );
        Assert.assertNotNull(atom);
    }   

    @Test public void testNewPseudoAtom_IAtom() {
        IChemObjectBuilder builder = rootObject.getBuilder();
        IPseudoAtom atom = builder.newInstance(
            IPseudoAtom.class, builder.newInstance(IAtom.class)
        );
        Assert.assertNotNull(atom);
    }   

    @Test public void testNewPseudoAtom_String() {
        IChemObjectBuilder builder = rootObject.getBuilder();
        IPseudoAtom atom = builder.newInstance(
            IPseudoAtom.class, "Foo"
        );
        Assert.assertNotNull(atom);
    }   

    @Test public void testNewPseudoAtom_String_Point2d() {
        IChemObjectBuilder builder = rootObject.getBuilder();
        IPseudoAtom atom = builder.newInstance(
            IPseudoAtom.class, "Foo", new Point2d(1,2)
        );
        Assert.assertNotNull(atom);
    }   

    @Test public void testNewPseudoAtom_String_Point3d() {
        IChemObjectBuilder builder = rootObject.getBuilder();
        IPseudoAtom atom = builder.newInstance(
            IPseudoAtom.class, "Foo", new Point3d(1,2,3)
        );
        Assert.assertNotNull(atom);
    }   

    @Test public void testNewPDBAtom_String_Point3d() {
        IChemObjectBuilder builder = rootObject.getBuilder();
        IPDBAtom atom = builder.newInstance(
            IPDBAtom.class, "Foo", new Point3d(1,2,3)
        );
        Assert.assertNotNull(atom);
    }   

    @Test public void testNewReaction() {
        IChemObjectBuilder builder = rootObject.getBuilder();
        IReaction reaction = builder.newInstance(IReaction.class);
        Assert.assertNotNull(reaction);
    }

    @Test public void testNewRing() {
        IChemObjectBuilder builder = rootObject.getBuilder();
        IRing ring = builder.newInstance(IRing.class);
        Assert.assertNotNull(ring);
    }   

    @Test public void testNewRing_int() {
        IChemObjectBuilder builder = rootObject.getBuilder();
        IRing ring = builder.newInstance(IRing.class, 4);
        Assert.assertNotNull(ring);
    }   

    @Test public void testNewRing_int_String() {
        IChemObjectBuilder builder = rootObject.getBuilder();
        IRing ring = builder.newInstance(IRing.class, 5, "C");
        Assert.assertNotNull(ring);
    }   

    @Test public void testNewRing_IAtomContainer() {
        IChemObjectBuilder builder = rootObject.getBuilder();
        IRing ring = builder.newInstance(
            IRing.class, builder.newInstance(IAtomContainer.class)
        );
        Assert.assertNotNull(ring);
    }   

    @Test public void testNewRingSet() {
        IChemObjectBuilder builder = rootObject.getBuilder();
        IRingSet set = builder.newInstance(IRingSet.class);
        Assert.assertNotNull(set);
    }

    @Test public void testNewAtomContainerSet() {
        IChemObjectBuilder builder = rootObject.getBuilder();
        IAtomContainerSet set = builder.newInstance(IAtomContainerSet.class);
        Assert.assertNotNull(set);
    }

    @Test public void testNewMoleculeSet() {
        IChemObjectBuilder builder = rootObject.getBuilder();
        IMoleculeSet set = builder.newInstance(IMoleculeSet.class);
        Assert.assertNotNull(set);
    }

    @Test public void testNewReactionSet() {
        IChemObjectBuilder builder = rootObject.getBuilder();
        IReactionSet set = builder.newInstance(IReactionSet.class);
        Assert.assertNotNull(set);
    }

    @Test public void testNewReactionScheme() {
        IChemObjectBuilder builder = rootObject.getBuilder();
        IReactionScheme scheme = builder.newInstance(IReactionScheme.class);
        Assert.assertNotNull(scheme);
    }

    @Test public void testNewSingleElectron() {
        IChemObjectBuilder builder = rootObject.getBuilder();
        ISingleElectron electron = builder.newInstance(ISingleElectron.class);
        Assert.assertNotNull(electron);
    }

    @Test public void testNewSingleElectron_IAtom() {
        IChemObjectBuilder builder = rootObject.getBuilder();
        ISingleElectron electron = builder.newInstance(
            ISingleElectron.class,
            builder.newInstance(IAtom.class)
        );
        Assert.assertNotNull(electron);
    }
    
    @Test public void testNewStrand() {
        IChemObjectBuilder builder = rootObject.getBuilder();
        IStrand strand = builder.newInstance(IStrand.class);
        Assert.assertNotNull(strand);
    }
    
    @Test public void testNewFragmentAtom() {
        IChemObjectBuilder builder = rootObject.getBuilder();
        IFragmentAtom fragAtom = builder.newInstance(IFragmentAtom.class);
        Assert.assertNotNull(fragAtom);
    }

    @Test public void testNewMolecularFormula() {
        IChemObjectBuilder builder = rootObject.getBuilder();
        IMolecularFormula mf = builder.newInstance(IMolecularFormula.class);
        Assert.assertNotNull(mf);
    }

    @Test public void testNewMolecularFormulaSet() {
        IChemObjectBuilder builder = rootObject.getBuilder();
        IMolecularFormulaSet mfSet = builder.newInstance(IMolecularFormulaSet.class);
        Assert.assertNotNull(mfSet);
    }

    @Test public void testNewMolecularFormulaSet_IMolecularFormula() {
        IChemObjectBuilder builder = rootObject.getBuilder();
        IMolecularFormulaSet mfSet = builder.newInstance(
            IMolecularFormulaSet.class,
            builder.newInstance(IMolecularFormula.class)
        );
        Assert.assertNotNull(mfSet);
    }

    @Test public void testNewAdductFormula() {
        IChemObjectBuilder builder = rootObject.getBuilder();
        IAdductFormula af = builder.newInstance(IAdductFormula.class);
        Assert.assertNotNull(af);
    }

    @Test public void testNewAdductFormula_IMolecularFormula() {
        IChemObjectBuilder builder = rootObject.getBuilder();
        IAdductFormula af = builder.newInstance(
            IAdductFormula.class,
            builder.newInstance(IMolecularFormula.class)
        );
        Assert.assertNotNull(af);
    }
}