def test_radial_methods(self):
cache_numerov = pi.MatrixElementCache()
cache_numerov.setMethod(pi.NUMEROV)
cache_whittaker = pi.MatrixElementCache()
cache_whittaker.setMethod(pi.WHITTAKER)
state = pi.StateOne("Rb", 42, 0, 1 / 2, 1 / 2)
for kappa in range(10):
radial_numerov = cache_numerov.getRadial(state, state, kappa)
radial_whittaker = cache_whittaker.getRadial(state, state, kappa)
self.assertAlmostEqual(radial_numerov, radial_whittaker, places=5)
self.assertEqual(cache_numerov.size(), 10)
self.assertEqual(cache_whittaker.size(), 10)
def test_dipoledb(self):
cache = pi.MatrixElementCache()
cache.loadElectricDipoleDB(self.dipoledb_path, "Rb")
cache_size = cache.size()
self.assertGreater(cache_size, 0)
cache_comparison = pi.MatrixElementCache()
cache_comparison_size = cache_comparison.size()
self.assertEqual(cache_comparison_size, 0)
state_f = pi.StateOne("Rb", 8, 0, 1 / 2, 1 / 2)
state_i = pi.StateOne("Rb", 8, 1, 1 / 2, 1 / 2)
radial = cache.getRadial(state_f, state_i, 1)
radial_comparison = cache_comparison.getRadial(state_f, state_i, 1)
self.assertAlmostEqual(radial, -0.0016741253849814623, places=12)
self.assertAlmostEqual(radial, radial_comparison, places=5)
self.assertEqual(cache.size(), cache_size)
self.assertEqual(cache_comparison.size(), cache_comparison_size + 1)
def test_combined_fields(self):
cache = pi.MatrixElementCache()
# Set up SystemOne
system_one = pi.SystemOne("Rb", cache)
system_one.restrictEnergy(-1077.243011609127, -939.9554235203701)
system_one.restrictN(57, 63)
system_one.restrictL(0, 3)
system_one.setConservedMomentaUnderRotation([-0.5])
system_one.setEfield((0, 0, 0.7))
system_one.setBfield((0, 0, -8.8))
# Diagonalize the system
system_one.diagonalize()
# Compare results
energies = system_one.getHamiltonian().diagonal()
self.assertAlmostEqual(energies[13], -1000.26793709, places=4)
def test_defectdb(self):
cache = pi.MatrixElementCache()
cache.setDefectDB(self.defectdb_path)
def setUp(self):
# Create cache directory
self.path_cache = tempfile.mkdtemp()
# Set up cache
self.cache = pi.MatrixElementCache(self.path_cache)
def setUp(self):
self.cache_path = tempfile.mkdtemp()
self.cache = pi.MatrixElementCache(self.cache_path)