StabilizationPlusChargeDescriptor extends AbstractAtomicDescriptor implements IAtomicDescriptor { public StabilizationPlusChargeDescriptor() { stabil = new StabilizationCharges(); } StabilizationPlusChargeDescriptor(); @Override DescriptorSpecification getSpecification(); @Override void setParameters(Object[] params); @Override Object[] getParameters(); @Override String[] getDescriptorNames(); @Override DescriptorValue calculate(IAtom atom, IAtomContainer container); @Override String[] getParameterNames(); @Override Object getParameterType(String name);  }
@Test @Category(SlowTest.class) public void testStabilizationPlusChargeDescriptor() throws Exception { IAtomContainer mol = builder.newInstance(IAtomContainer.class); mol.addAtom(builder.newInstance(IAtom.class, "C")); mol.getAtom(0).setFormalCharge(-1); mol.addAtom(builder.newInstance(IAtom.class, "C")); mol.getAtom(1).setFormalCharge(1); mol.addBond(0, 1, Order.SINGLE); mol.addAtom(builder.newInstance(IAtom.class, "F")); mol.addBond(1, 2, Order.SINGLE); AtomContainerManipulator.percieveAtomTypesAndConfigureAtoms(mol); addExplicitHydrogens(mol); lpcheck.saturate(mol); DoubleResult result = ((DoubleResult) descriptor.calculate(mol.getAtom(1), mol).getValue()); Assert.assertNotSame(0.0, result.doubleValue()); }