@Override public String toString() { A atom = getAtom(); if (atom instanceof IAtom) { return ((IElement) atom).getSymbol() + "" + ((IChemObject) atom).getProperty("number"); } return "Non CDK Atom"; }
private static void serializeElementFields(Model model, Resource rdfObject, IElement element) { serializeChemObjectFields(model, rdfObject, element); if (element.getSymbol() != null) model.add(rdfObject, CDK.SYMBOL, element.getSymbol()); if (element.getAtomicNumber() != null) model.add(rdfObject, CDK.HASATOMICNUMBER, element.getAtomicNumber().toString()); }
private static void serializeElementFields(Model model, Resource rdfObject, IElement element) { serializeChemObjectFields(model, rdfObject, element); if (element.getSymbol() != null) model.add(rdfObject, CDK.SYMBOL, element.getSymbol()); if (element.getAtomicNumber() != null) model.add(rdfObject, CDK.HASATOMICNUMBER, element.getAtomicNumber().toString()); }
@Test public void testDifference() { IElement element1 = mock(IElement.class); IElement element2 = mock(IElement.class); when(element1.getSymbol()).thenReturn("H"); when(element2.getSymbol()).thenReturn("C"); IDifference difference = ElementDiff.difference(element1, element2); Assert.assertNotNull(difference); } }
@Override public String toString() { if (first.getAtom() instanceof IAtom) { return ((IElement) first.getAtom()).getSymbol() + "" + ((IChemObject) first.getAtom()).getProperty("number") + "=" + ((IElement) second.getAtom()).getSymbol() + "" + ((IChemObject) second.getAtom()).getProperty("number"); } return first.getAtom().toString() + "=" + second.getAtom().toString(); }
@Test public void testDiff() { IElement element1 = mock(IElement.class); IElement element2 = mock(IElement.class); when(element1.getSymbol()).thenReturn("H"); when(element2.getSymbol()).thenReturn("C"); String result = ElementDiff.diff(element1, element2); Assert.assertNotNull(result); Assert.assertNotSame(0, result.length()); assertContains(result, "ElementDiff"); assertContains(result, "H/C"); }
@Test public void testDebugElement_String() { IElement e = new DebugElement("C"); Assert.assertEquals("C", e.getSymbol()); }
@Test public void testElement_String() { IElement e = new Element("C"); Assert.assertEquals("C", e.getSymbol()); }
@Test public void testSymbol() { IElement chemObject = new NaturalElement("C", 12); Assert.assertEquals("C", chemObject.getSymbol()); }
@Test public void testElement_String() { IElement e = new Element("C"); Assert.assertEquals("C", e.getSymbol()); }
@Test public void testElement_String_Integer() { IElement e = new Element("H", 1); Assert.assertEquals("H", e.getSymbol()); Assert.assertEquals(1, e.getAtomicNumber().intValue()); }
@Test public void testElement_String_Integer() { IElement e = new Element("H", 1); Assert.assertEquals("H", e.getSymbol()); Assert.assertEquals(1, e.getAtomicNumber().intValue()); }
@Test public void testDebugElement_String_int() { IElement e = new DebugElement("H", 1); Assert.assertEquals("H", e.getSymbol()); Assert.assertEquals(1, e.getAtomicNumber().intValue()); }
@Test public void testGetElement_int() throws Exception { IsotopeFactory elfac = Isotopes.getInstance(); IElement element = elfac.getElement(6); Assert.assertEquals("C", element.getSymbol()); }
@Test public void testSetSymbol_String() { IElement e = (IElement) newChemObject(); e.setSymbol("C"); Assert.assertEquals("C", e.getSymbol()); }
@Test public void testGetSymbol() { IElement e = (IElement) newChemObject(); e.setSymbol("Ir"); Assert.assertEquals("Ir", e.getSymbol()); }
@Test public void testElement_X() { IElement e = new Element("X"); Assert.assertEquals("R", e.getSymbol()); // and it should not throw exceptions Assert.assertNotNull(e.getAtomicNumber()); Assert.assertThat(e.getAtomicNumber(), is(0)); }
@Test public void testElement_X() { IElement e = new Element("X"); Assert.assertEquals("R", e.getSymbol()); // and it should not throw exceptions Assert.assertNotNull(e.getAtomicNumber()); Assert.assertThat(e.getAtomicNumber(), is(0)); }
@Test public void testGetElement_int() throws Exception { XMLIsotopeFactory elfac = XMLIsotopeFactory.getInstance(new ChemObject().getBuilder()); IElement element = elfac.getElement(6); Assert.assertEquals("C", element.getSymbol()); }
@Test public void testClone_Symbol() throws Exception { IElement elem = (IElement) newChemObject(); elem.setSymbol("C"); IElement clone = (IElement) elem.clone(); // test cloning of symbol elem.setSymbol("H"); Assert.assertEquals("C", clone.getSymbol()); }