void test_serialization()
{
StructureAdapterPtr kbise1 = dumpandload(m_kbise);
TS_ASSERT_DIFFERS(m_kbise.get(), kbise1.get());
const double eps = 1.0e-7;
TS_ASSERT_EQUALS(23, kbise1->countSites());
TS_ASSERT_EQUALS(23.0, kbise1->totalOccupancy());
TS_ASSERT_DELTA(0.0335565, kbise1->numberDensity(), eps);
TS_ASSERT_EQUALS(string("K1+"), kbise1->siteAtomType(0));
TS_ASSERT_EQUALS(string("Bi3+"), kbise1->siteAtomType(2));
TS_ASSERT_EQUALS(string("Se"), kbise1->siteAtomType(10));
TS_ASSERT_EQUALS(string("Se"), kbise1->siteAtomType(22));
PeriodicStructureAdapterPtr pkbise =
boost::dynamic_pointer_cast<PeriodicStructureAdapter>(m_kbise);
PeriodicStructureAdapterPtr pkbise1 =
boost::dynamic_pointer_cast<PeriodicStructureAdapter>(kbise1);
const Lattice& L = pkbise->getLattice();
const Lattice& L1 = pkbise1->getLattice();
TS_ASSERT_EQUALS(L.a(), L1.a());
TS_ASSERT_EQUALS(L.b(), L1.b());
TS_ASSERT_EQUALS(L.c(), L1.c());
TS_ASSERT_EQUALS(L.alpha(), L1.alpha());
TS_ASSERT_EQUALS(L.beta(), L1.beta());
TS_ASSERT_EQUALS(L.gamma(), L1.gamma());
}
NoMetaStructureAdapter::NoMetaStructureAdapter(
StructureAdapterPtr srcstructure)
{
boost::shared_ptr<NoMetaStructureAdapter> nmptr =
boost::dynamic_pointer_cast<NoMetaStructureAdapter>(srcstructure);
if (nmptr) srcstructure = nmptr->getSourceStructure();
msrcstructure = srcstructure.get() ?
srcstructure : emptyStructureAdapter();
}
void test_empty_instance()
{
TS_ASSERT_EQUALS(0, mstru->countSites());
TS_ASSERT_EQUALS(mstru.get(), mstru->clone().get());
TS_ASSERT_EQUALS(mstru, emptyStructureAdapter());
TS_ASSERT_THROWS(mstru->siteAtomType(0), std::out_of_range);
TS_ASSERT_THROWS(mstru->siteCartesianPosition(0),
std::out_of_range);
TS_ASSERT_THROWS(mstru->siteMultiplicity(0), std::out_of_range);
TS_ASSERT_THROWS(mstru->siteOccupancy(0), std::out_of_range);
TS_ASSERT_THROWS(mstru->siteAnisotropy(0), std::out_of_range);
TS_ASSERT_THROWS(mstru->siteCartesianPosition(0),
std::out_of_range);
}
