/** * Constructor for the StabilizationPlusChargeDescriptor object */ public StabilizationPlusChargeDescriptor() { stabil = new StabilizationCharges(); }
/** * A unit test suite for JUnit. * * @return The test suite */ @Test public void testStabilizationCharges() { Assert.assertNotNull(new StabilizationCharges()); }
GasteigerPEPEPartialCharges pepe = new GasteigerPEPEPartialCharges(); Polarizability pol = new Polarizability(); StabilizationCharges stabil = new StabilizationCharges(); StructureResonanceGenerator gRI = new StructureResonanceGenerator();
GasteigerPEPEPartialCharges pepe = new GasteigerPEPEPartialCharges(); Polarizability pol = new Polarizability(); StabilizationCharges stabil = new StabilizationCharges(); StructureResonanceGenerator gRI = new StructureResonanceGenerator();
public void testCalculatePositive_IAtomContainer_IAtom() throws Exception { StabilizationCharges sc = new StabilizationCharges();