@Before
public void setUp() {
sample = new XPDFSampleParameters(true);
// ceria, with a hint of beryllium
sample.addPhase(SampleTestData.createTestPhase("ceria"), 0.95);
// beryllium needs atoms added to it
XPDFPhase beryllium = SampleTestData.createTestPhase("beryllium");
beryllium.addAtom(new XPDFAtom("Be1", 4, 1.0, new double[] {0.0, 0.0, 0.0}, "a"));
sample.addPhase(beryllium, 0.05);
sample.setName("Contaminated ceria");
sample.setPackingFraction(0.6);
cap = new XPDFSampleParameters(false);
}
@Test
public void testSetGetPhases() {
List<XPDFPhase> newPhases = new ArrayList<XPDFPhase>();
newPhases.add(SampleTestData.createTestPhase("ilmenite"));
sample.setPhases(newPhases);
assertEquals(newPhases, sample.getPhases());
}
@Test
public void testAddPhaseXPDFPhaseDouble() {
XPDFPhase rutile = SampleTestData.createTestPhase("rutile");
double rutileWeight = 0.1;
sample.addPhase(rutile, rutileWeight);
assertTrue("New weighted phase not successfully added", sample.getPhases().contains(rutile));
assertEquals(
"New phase weighting not successfully retrieved",
sample.getPhaseWeighting(rutile),
rutileWeight,
1e-3);
}
@Test
public void testAddPhaseXPDFPhase() {
XPDFPhase rutile = SampleTestData.createTestPhase("rutile");
sample.addPhase(rutile);
assertTrue("New phase not successfully added", sample.getPhases().contains(rutile));
}
