def ingest_ionization_energies(self, ioniz_energies=None):
if ioniz_energies is None:
ioniz_energies = self.parser.prepare_ioniz_energies()
print("Ingesting ionization energies from {}".format(self.data_source.short_name))
for index, row in ioniz_energies.iterrows():
atomic_number, ion_charge = index
# Query for an existing ion; create if doesn't exists
ion = Ion.as_unique(self.session,
atomic_number=atomic_number, ion_charge=ion_charge)
ion.energies = [
IonizationEnergy(ion=ion,
data_source=self.data_source,
quantity=row['ionization_energy_value'] * u.eV,
uncert=row['ionization_energy_uncert'],
method=row['ionization_energy_method'])
]
def foo_engine():
engine = create_engine(foo_db_url)
Base.metadata.drop_all(engine)
Base.metadata.create_all(engine)
session = Session(bind=engine)
# atoms
h = Atom(atomic_number=1, symbol='H')
ne = Atom(atomic_number=10, symbol='Ne')
# data sources
nist = DataSource(short_name='nist')
ku = DataSource(short_name='ku')
ch = DataSource(short_name="chianti")
# atomic weights
h.weights = [
AtomWeight(quantity=1.00784 * u.u, data_source=nist, uncert=4e-3),
AtomWeight(quantity=1.00811 * u.u, data_source=ku, uncert=4e-3),
]
# ions
h0 = Ion(atomic_number=1,
ion_charge=0,
ionization_energies=[
IonizationEnergy(quantity=13.5984 * u.eV,
data_source=nist,
method="th")
])
ne1 = Ion(atomic_number=10,
ion_charge=1,
ionization_energies=[
IonizationEnergy(quantity=40.96296 * u.eV,
data_source=nist,
method="th"),
IonizationEnergy(quantity=40.97 * u.eV,
data_source=nist,
method="m")
])
ne2 = Ion(atomic_number=10,
ion_charge=2,
ionization_energies=[
IonizationEnergy(quantity=48.839 * u.eV,
data_source=nist,
method="th")
])
# levels
ne2_lvl0_ku = Level(ion=ne2,
data_source=ku,
level_index=0,
configuration="2s2.2p5",
term="2P1.5",
L="P",
J=1.5,
spin_multiplicity=2,
parity=1,
energies=[
LevelEnergy(quantity=0, data_source=ku,
method="m"),
LevelEnergy(quantity=0,
data_source=ku,
method="th")
])
ne2_lvl1_ku = Level(ion=ne2,
data_source=ku,
level_index=1,
configuration="2s2.2p5",
term="2P0.5",
L="P",
J=0.5,
spin_multiplicity=2,
parity=1,
energies=[
LevelEnergy(quantity=780.4 * u.Unit("cm-1"),
data_source=ku,
method="m"),
LevelEnergy(quantity=780.0 * u.Unit("cm-1"),
data_source=ku,
method="th")
])
ne2_lvl2_ku = Level(ion=ne2,
data_source=ku,
level_index=2,
configuration="2s2.2p5",
term="2D2.5",
L="D",
J=2.5,
spin_multiplicity=2,
parity=0,
energies=[
LevelEnergy(quantity=1366.3 * u.Unit("cm-1"),
data_source=ku,
method="m")
])
ne2_lvl1_ch = Level(ion=ne2,
data_source=ch,
level_index=1,
configuration="2s2.2p5",
term="2P0.5",
L="P",
J=0.5,
spin_multiplicity=2,
parity=1,
energies=[
LevelEnergy(quantity=780.2 * u.Unit("cm-1"),
data_source=ch,
method="m")
])
# lines
ne2_line0_ku = Line(
lower_level=ne2_lvl0_ku,
upper_level=ne2_lvl1_ku,
data_source=ku,
wavelengths=[LineWavelength(quantity=183.571 * u.AA, data_source=ku)],
a_values=[
LineAValue(quantity=5.971e-03 * u.Unit("s-1"), data_source=ku)
],
gf_values=[LineGFValue(quantity=8.792e-01, data_source=ku)])
ne2_line1_ku = Line(
lower_level=ne2_lvl0_ku,
upper_level=ne2_lvl2_ku,
data_source=ku,
wavelengths=[
LineWavelength(quantity=18.4210 * u.nm, medium=1, data_source=ku)
],
a_values=[
LineAValue(quantity=5.587e-03 * u.Unit("s-1"), data_source=ku)
],
gf_values=[LineGFValue(quantity=8.238e-01, data_source=ku)])
# electron collisions
ne2_e_col0_ku = ECollision(
lower_level=ne2_lvl0_ku,
upper_level=ne2_lvl1_ku,
data_source=ku,
bt92_ttype=2,
bt92_cups=11.16,
energies=[
ECollisionEnergy(quantity=0.007108 * u.rydberg, data_source=ku)
],
temp_strengths=[(ECollisionTempStrength(temp=0.0, strength=0.255)),
(ECollisionTempStrength(temp=0.07394,
strength=0.266))])
session.add_all([
h, ne, nist, ku, ch, h0, ne1, ne2_lvl1_ch, ne2_lvl0_ku, ne2_lvl1_ku,
ne2_lvl2_ku, ne2_line0_ku, ne2_line1_ku, ne2_e_col0_ku
])
session.commit()
session.close()
return engine