Beispiel #1
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def test_atom_data_chianti_ions_subset(memory_session):
    nist = DataSource.as_unique(memory_session, short_name="nist-asd")
    ch = DataSource.as_unique(memory_session, short_name="chianti_v8.0.2")
    ku = DataSource.as_unique(memory_session, short_name="ku_latest")
    with pytest.raises(ValueError):
        atom_data = AtomData(memory_session,
                             selected_atoms="He, Be, B, N VI",
                             chianti_ions="He 1; N 5; Si 1")
Beispiel #2
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def test_atom_data_chianti_ions_subset(memory_session):
    nist = DataSource.as_unique(memory_session, short_name="nist-asd")
    ch = DataSource.as_unique(memory_session, short_name="chianti_v8.0.2")
    ku = DataSource.as_unique(memory_session, short_name="ku_latest")
    with pytest.raises(ValueError):
        atom_data = AtomData(memory_session,
                             selected_atoms="He, Be, B, N VI",
                             chianti_ions="He 1; N 5; Si 1")
Beispiel #3
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def test_atom_data_init(memory_session):
    nist = DataSource.as_unique(memory_session, short_name="nist-asd")
    ch = DataSource.as_unique(memory_session, short_name="chianti_v8.0.2")
    ku = DataSource.as_unique(memory_session, short_name="ku_latest")
    atom_data = AtomData(memory_session,
                         selected_atoms="He, Be, B, N",
                         chianti_ions="He 1; N 5")
    assert set(atom_data.selected_atomic_numbers) == set([2, 4, 5, 7])
    assert set(atom_data.chianti_ions) == set([(2, 1), (7, 5)])
Beispiel #4
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def test_atom_data_init(memory_session):
    nist = DataSource.as_unique(memory_session, short_name="nist-asd")
    ch = DataSource.as_unique(memory_session, short_name="chianti_v8.0.2")
    ku = DataSource.as_unique(memory_session, short_name="ku_latest")
    atom_data = AtomData(memory_session,
                         selected_atoms="He, Be, B, N",
                         chianti_ions="He 1; N 5")
    assert set(atom_data.selected_atomic_numbers) == set([2, 4, 5, 7])
    assert set(atom_data.chianti_ions) == set([(2,1), (7,5)])
Beispiel #5
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def test_atomic_weights_query(foo_session, atomic_number, ds_short_name, expected_weight):
    data_source = DataSource.as_unique(foo_session, short_name=ds_short_name)
    atom, atom_weight = foo_session.query(Atom, AtomWeight).\
        filter(Atom.atomic_number == atomic_number).\
        join(Atom.weights).\
        filter(AtomWeight.data_source == data_source).one()
    assert_quantity_allclose([atom_weight.quantity], expected_weight)
Beispiel #6
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def test_atom_merge_new_quantity(foo_session, H):
    cr = DataSource.as_unique(foo_session, short_name="cr")
    H.merge_quantity(foo_session, AtomicWeight(data_source=cr, quantity=1.00754*u.u, std_dev=3e-5,))
    foo_session.commit()
    res = foo_session.query(AtomicWeight).filter(and_(AtomicWeight.atom==H,
                                                    AtomicWeight.data_source==cr)).one()
    assert_almost_equal(res.quantity.value, 1.00754)
Beispiel #7
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def test_atomic_weights_atom_relationship(foo_session):
    nist = DataSource.as_unique(foo_session, short_name="nist")
    q = foo_session.query(Atom, AtomicWeight).\
        join(Atom.quantities.of_type(AtomicWeight)).\
        filter(AtomicWeight.data_source == nist).first()

    assert_almost_equal(q.AtomicWeight.value, 1.00784)
Beispiel #8
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    def __init__(self, session, ions=None, ds_short_name=None):
        if ds_short_name is None:
            ds_short_name = '{}_v{}'.format(self.ds_prefix, masterlist_version)

        self.session = session
        self.ion_readers = list()
        self.ions = list()

        if ions is not None:
            try:
                ions = parse_selected_species(ions)
            except ParseException:
                raise ValueError(
                    'Input is not a valid species string {}'.format(ions))
            self.ions = [convert_species_tuple2chianti_str(_) for _ in ions]
        else:
            self.ions = masterlist_ions

        for ion in self.ions:
            if ion in self.masterlist_ions:
                self.ion_readers.append(ChiantiIonReader(ion))
            else:
                logger.info("Ion {0} is not available.".format(ion))

        self.data_source = DataSource.as_unique(self.session,
                                                short_name=ds_short_name)
        # To get the id if a new data source was created
        if self.data_source.data_source_id is None:
            self.session.flush()
Beispiel #9
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def test_line_quantities_query(foo_session, atomic_number, ion_charge, ds_short_name,
                               lower_level_index, upper_level_index,
                               expected_wavelength, expected_a_value, expected_gf_value):
    data_source = DataSource.as_unique(foo_session, short_name=ds_short_name)
    ion = Ion.as_unique(foo_session, atomic_number=atomic_number, ion_charge=ion_charge)
    lower_level = foo_session.query(Level).\
        filter(and_(Level.data_source==data_source,
                    Level.ion == ion,
                    Level.level_index == lower_level_index)).one()
    upper_level = foo_session.query(Level). \
        filter(and_(Level.data_source == data_source,
                    Level.ion == ion,
                    Level.level_index == upper_level_index)).one()
    line = foo_session.query(Line).\
        filter(and_(Line.data_source == data_source,
                    Line.lower_level == lower_level,
                    Line.upper_level == upper_level)).one()

    wavelength = line.wavelengths[0].quantity
    a_value = line.a_values[0].quantity
    gf_value = line.gf_values[0].quantity

    assert_quantity_allclose(wavelength, expected_wavelength)
    assert_quantity_allclose(a_value, expected_a_value)
    assert_quantity_allclose(gf_value, expected_gf_value)
Beispiel #10
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 def __init__(self, session, data_fn, ds_name='knox_long'):
     self.session = session
     self.data_fn = data_fn
     self.data_source = DataSource.as_unique(self.session,
                                             short_name=ds_name)
     if self.data_source.data_source_id is None:
         self.session.flush()
Beispiel #11
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    def __init__(self, session, ions=None, ds_short_name="chianti_v8.0.2"):
        self.session = session
        # ToDo write a parser for Spectral Notation
        self.ion_readers = list()
        self.ions = list()

        if ions is not None:
            try:
                ions = parse_selected_species(ions)
            except ParseException:
                raise ValueError(
                    'Input is not a valid species string {}'.format(ions))
            self.ions = [convert_species_tuple2chianti_str(_) for _ in ions]
        else:
            self.ions = masterlist_ions

        for ion in self.ions:
            if ion in self.masterlist_ions:
                self.ion_readers.append(ChiantiIonReader(ion))
            else:
                print("Ion {0} is not available".format(ion))

        self.data_source = DataSource.as_unique(self.session,
                                                short_name=ds_short_name)
        if self.data_source.data_source_id is None:  # To get the id if a new data source was created
            self.session.flush()
Beispiel #12
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def test_atomic_weights_convert_to(foo_session, atomic_number, ds_short_name, expected_weight_value):
    data_source = DataSource.as_unique(foo_session, short_name=ds_short_name)
    atom, atom_weight_value = foo_session.query(Atom, AtomWeight.quantity.to(u.solMass).value). \
        filter(Atom.atomic_number == atomic_number). \
        join(Atom.weights). \
        filter(AtomWeight.data_source == data_source).one()
    assert_almost_equal(atom_weight_value, expected_weight_value)
Beispiel #13
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def test_gfall_ingester_ingest_lines(memory_session, gfall_ingester,
                                     atomic_number, ion_charge,
                                     level_index_lower, level_index_upper,
                                     exp_wavelength, exp_gf_value):
    gfall_ingester.ingest(levels=True, lines=True)
    ion = Ion.as_unique(memory_session,
                        atomic_number=atomic_number,
                        ion_charge=ion_charge)
    data_source = DataSource.as_unique(memory_session, short_name="ku_latest")
    lower_level = memory_session.query(Level).\
        filter(and_(Level.data_source==data_source,
                    Level.ion==ion,
                    Level.level_index==level_index_lower)).one()
    upper_level = memory_session.query(Level). \
        filter(and_(Level.data_source == data_source,
                    Level.ion == ion,
                    Level.level_index == level_index_upper)).one()
    line = memory_session.query(Line).\
        filter(and_(Line.data_source==data_source,
                    Line.lower_level==lower_level,
                    Line.upper_level==upper_level)).one()
    wavelength = line.wavelengths[0].quantity
    gf_value = line.gf_values[0].quantity
    assert_quantity_allclose(wavelength, exp_wavelength)
    assert_quantity_allclose(gf_value, exp_gf_value)
Beispiel #14
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def test_atomic_quantity_convert_to(foo_session):
    H = foo_session.query(Atom).filter(Atom.atomic_number==1).one()
    nist = DataSource.as_unique(foo_session, short_name="nist")
    aw = foo_session.query(AtomicWeight).filter(and_(AtomicWeight.atom==H,
                                                    AtomicWeight.data_source==nist)).one()
    aw.to(u.ng)
    assert_almost_equal(aw.value, 1.6735573234079996e-15)
Beispiel #15
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    def __init__(self,
                 session,
                 fname=None,
                 ions=None,
                 unique_level_identifier=None,
                 ds_short_name="ku_latest"):
        self.session = session

        if fname is None:
            self.fname = GFALL_URL
        else:
            self.fname = fname

        self.gfall_reader = GFALLReader(ions, self.fname,
                                        unique_level_identifier)

        if ions is not None:
            try:
                ions = parse_selected_species(ions)
            except ParseException:
                raise ValueError(
                    'Input is not a valid species string {}'.format(ions))
            ions = pd.DataFrame.from_records(
                ions, columns=["atomic_number", "ion_charge"])
            self.ions = ions.set_index(['atomic_number', 'ion_charge'])
        else:
            self.ions = None

        self.data_source = DataSource.as_unique(self.session,
                                                short_name=ds_short_name)
        if self.data_source.data_source_id is None:  # To get the id if a new data source was created
            self.session.flush()
Beispiel #16
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def test_atomic_weights_unique_constraint(foo_session):
    nist = DataSource.as_unique(foo_session, short_name="nist")
    H = foo_session.query(Atom).filter(Atom.atomic_number==1).one()
    H.quantities.append(
        AtomicWeight(data_source=nist, value=666)
    )
    with pytest.raises(IntegrityError):
        foo_session.commit()
def test_weightscomp_ingest_nonexisting_atomic_weights(atomic_number, nom_val, std_dev, weightscomp_ingester, test_session):
    weightscomp_ingester.ingest(test_session)
    nist = DataSource.as_unique(test_session, short_name="nist")
    aw = test_session.query(AtomicWeight).\
        filter(AtomicWeight.atomic_number==atomic_number).\
        filter(AtomicWeight.data_source==nist).one()
    assert_almost_equal(aw.value, nom_val)
    assert_almost_equal(aw.std_dev, std_dev)
Beispiel #18
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def test_atom_merge_new_quantity(foo_session):
    H = foo_session.query(Atom).filter(Atom.atomic_number==1).one()
    cr = DataSource.as_unique(foo_session, short_name="cr")
    H.merge_quantity(foo_session, AtomicWeight(data_source=cr, unit=u.u, value=1.00754, std_dev=3e-5,))
    foo_session.commit()
    q = foo_session.query(AtomicWeight).filter(and_(AtomicWeight.atom==H,
                                                    AtomicWeight.data_source==cr)).one()
    assert_almost_equal(q.value, 1.00754)
Beispiel #19
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def test_atom_merge_existing_quantity(foo_session):
    H = foo_session.query(Atom).filter(Atom.atomic_number==1).one()
    nist = DataSource.as_unique(foo_session, short_name="nist")
    H.merge_quantity(foo_session,  AtomicWeight(data_source=nist, unit=u.u, value=1.00654, std_dev=4e-5,))
    foo_session.commit()
    q = foo_session.query(AtomicWeight).filter(and_(AtomicWeight.atom==H,
                                                    AtomicWeight.data_source==nist)).one()
    assert_almost_equal(q.value, 1.00654)
Beispiel #20
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def test_level_g_hybrid_attribute_expression(foo_session, atomic_number, ion_charge, ds_short_name, level_index, exp_g):
    data_source = DataSource.as_unique(foo_session, short_name=ds_short_name)
    ion = Ion.as_unique(foo_session, atomic_number=atomic_number, ion_charge=ion_charge)
    g = foo_session.query(Level.g). \
        filter(and_(Level.data_source == data_source,
                    Level.ion == ion,
                    Level.level_index == level_index)).scalar()
    assert g == exp_g
Beispiel #21
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def test_ionization_energies_query(foo_session, atomic_number, ion_charge, ds_short_name,
                                   method, expected_ionization_energy):
    data_source = DataSource.as_unique(foo_session, short_name=ds_short_name)
    ion, ionization_energy = foo_session.query(Ion, IonizationEnergy).\
        filter(and_(Ion.atomic_number == atomic_number,
                    Ion.ion_charge == ion_charge)).\
        join(Ion.ionization_energies).\
        filter(and_(IonizationEnergy.data_source == data_source,
                    IonizationEnergy.method == method)).one()
    assert_quantity_allclose([ionization_energy.quantity], expected_ionization_energy)
Beispiel #22
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    def __init__(self, session, ds_short_name, parser, downloader):
        self.parser = parser
        self.downloader = downloader
        self.session = session

        self.data_source = DataSource.as_unique(self.session, short_name=ds_short_name)
        if self.data_source.data_source_id is None:  # To get the id if a new data source was created
            self.session.flush()

        if not self.requirements_satisfied():
            raise IngesterError('Requirements for ingest are not satisfied!')
Beispiel #23
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    def ingest(self, session):
        """ *Only* ingests atomic weights *for now* """
        print "Ingesting atomic weights"
        atomic_df = self.parser.prepare_atomic_dataframe()
        atomic_df = atomic_df[pd.notnull(atomic_df[AW_VAL_COL])]

        data_source = DataSource.as_unique(session, short_name=self.ds_short_name)

        for atom_num, row in atomic_df.iterrows():
            atom = session.query(Atom).filter(Atom.atomic_number==atom_num).one()
            atom.merge_quantity(session,
                AtomicWeight(data_source=data_source, value=row[AW_VAL_COL], std_dev=row[AW_SD_COL], unit=u.u))
Beispiel #24
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def test_gfall_ingester_ingest_levels(memory_session, gfall_ingester, atomic_number, ion_charge, level_index,
                                exp_energy, exp_j, exp_method):
    gfall_ingester.ingest(levels=True, lines=False)
    ion = Ion.as_unique(memory_session, atomic_number=atomic_number, ion_charge=ion_charge)
    data_source = DataSource.as_unique(memory_session, short_name="ku_latest")
    level, energy = memory_session.query(Level, LevelEnergy).\
        filter(and_(Level.ion==ion,
                    Level.level_index==level_index),
                    Level.data_source==data_source).\
        join(Level.energies).one()
    assert_almost_equal(level.J, exp_j)
    assert_quantity_allclose(energy.quantity, exp_energy.to(u.eV, equivalencies=u.spectral()))
    assert energy.method == exp_method
Beispiel #25
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    def __init__(self, session, fname=None, ds_name='knox_long'):
        self.session = session

        if fname is None:
            self.fname = ZETA_DATA_URL
        else:
            self.fname = fname

        self.data_source = DataSource.as_unique(self.session,
                                                short_name=ds_name)

        if self.data_source.data_source_id is None:
            self.session.flush()
Beispiel #26
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def test_ionization_energies_query(foo_session, atomic_number, ion_charge,  ds_short_name,
                                   level_index, method, expected_level_energy_value):
    data_source = DataSource.as_unique(foo_session, short_name=ds_short_name)
    ion = Ion.as_unique(foo_session, atomic_number=atomic_number, ion_charge=ion_charge)
    level, level_energy_value = foo_session.query(Level,
                                        LevelEnergy.quantity.to(u.Unit("cm-1"), equivalencies=u.spectral()).value). \
                                filter(and_(Level.ion == ion,
                                            Level.data_source == data_source),
                                            Level.level_index == level_index). \
                                join(Level.energies). \
                                filter(and_(LevelEnergy.data_source == data_source,
                                            LevelEnergy.method == method)).one()
    assert_almost_equal(level_energy_value, expected_level_energy_value)
Beispiel #27
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def test_level_query(foo_session, atomic_number, ion_charge, ds_short_name, level_index,
                         configuration, term, L, J, spin_multiplicity, parity):
    data_source = DataSource.as_unique(foo_session, short_name=ds_short_name)
    ion = Ion.as_unique(foo_session, atomic_number=atomic_number, ion_charge=ion_charge)
    level = foo_session.query(Level).\
        filter(and_(Level.data_source == data_source,
                    Level.ion == ion,
                    Level.level_index == level_index)).one()
    assert level.configuration == configuration
    assert level.term == term
    assert level.L == L
    assert_almost_equal(level.J, J)
    assert level.spin_multiplicity == spin_multiplicity
    assert level.parity == parity
Beispiel #28
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    def __init__(self, session, fname, ions=None, ds_short_name="ku_latest"):
        self.session = session
        self.gfall_reader = GFALLReader(fname)
        if ions is not None:
            try:
                ions = parse_selected_species(ions)
            except ParseException:
                raise ValueError('Input is not a valid species string {}'.format(ions))
            ions = pd.DataFrame.from_records(ions, columns=["atomic_number", "ion_charge"])
            self.ions = ions.set_index(['atomic_number', 'ion_charge'])
        else:
            self.ions = None

        self.data_source = DataSource.as_unique(self.session, short_name=ds_short_name)
        if self.data_source.data_source_id is None:  # To get the id if a new data source was created
            self.session.flush()
Beispiel #29
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def test_line_wavelength_medium(foo_session, atomic_number, ion_charge, ds_short_name,
                                lower_level_index, upper_level_index, expected_medium):
    data_source = DataSource.as_unique(foo_session, short_name=ds_short_name)
    ion = Ion.as_unique(foo_session, atomic_number=atomic_number, ion_charge=ion_charge)
    lower_level = foo_session.query(Level). \
        filter(and_(Level.data_source == data_source,
                    Level.ion == ion,
                    Level.level_index == lower_level_index)).one()
    upper_level = foo_session.query(Level). \
        filter(and_(Level.data_source == data_source,
                    Level.ion == ion,
                    Level.level_index == upper_level_index)).one()
    line = foo_session.query(Line). \
        filter(and_(Line.data_source == data_source,
                    Line.lower_level == lower_level,
                    Line.upper_level == upper_level)).one()
    wavelength = line.wavelengths[0]
    assert wavelength.medium == expected_medium
def test_weithscomp_ingest_existing_atomic_weights(atomic_number, nom_val, std_dev, weightscomp_ingester, test_session):
    nist = DataSource.as_unique(test_session, short_name="nist")
    atom = test_session.query(Atom).filter(Atom.atomic_number==atomic_number).one()
    #import pdb; pdb.set_trace()
    atom.quantities = [
        AtomicWeight(data_source=nist, value=9.9999, unit=u.u),
    ]
    test_session.commit()

    weightscomp_ingester.ingest(test_session)

    q = test_session.query(Atom, AtomicWeight).\
        join(Atom.quantities.of_type(AtomicWeight)).\
        filter(AtomicWeight.data_source==nist).\
        filter(Atom.atomic_number==atomic_number).one()

    assert q.AtomicWeight.atomic_number == atomic_number
    assert_almost_equal(q.AtomicWeight.value, nom_val)
    assert_almost_equal(q.AtomicWeight.std_dev, std_dev)
Beispiel #31
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def test_gfall_ingester_ingest_lines_wavelength_medium(memory_session, gfall_ingester, atomic_number, ion_charge,
                                                       level_index_lower, level_index_upper,
                                                       exp_wavelength, exp_medium):
    gfall_ingester.ingest(levels=True, lines=True)
    ion = Ion.as_unique(memory_session, atomic_number=atomic_number, ion_charge=ion_charge)
    data_source = DataSource.as_unique(memory_session, short_name="ku_latest")
    lower_level = memory_session.query(Level). \
        filter(and_(Level.data_source == data_source,
                    Level.ion == ion,
                    Level.level_index == level_index_lower)).one()
    upper_level = memory_session.query(Level). \
        filter(and_(Level.data_source == data_source,
                    Level.ion == ion,
                    Level.level_index == level_index_upper)).one()
    line = memory_session.query(Line). \
        filter(and_(Line.data_source == data_source,
                    Line.lower_level == lower_level,
                    Line.upper_level == upper_level)).one()
    wavelength = line.wavelengths[0]
    assert_quantity_allclose(wavelength.quantity, exp_wavelength)
    assert wavelength.medium == exp_medium
Beispiel #32
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def test_e_collision_quantities_query(foo_session, atomic_number, ion_charge, ds_short_name,
                               lower_level_index, upper_level_index,
                               expected_energy, expected_temp_strengths):
    data_source = DataSource.as_unique(foo_session, short_name=ds_short_name)
    ion = Ion.as_unique(foo_session, atomic_number=atomic_number, ion_charge=ion_charge)
    lower_level = foo_session.query(Level). \
        filter(and_(Level.data_source == data_source,
                    Level.ion == ion,
                    Level.level_index == lower_level_index)).one()
    upper_level = foo_session.query(Level). \
        filter(and_(Level.data_source == data_source,
                    Level.ion == ion,
                    Level.level_index == upper_level_index)).one()
    e_col = foo_session.query(ECollision). \
        filter(and_(ECollision.data_source == data_source,
                    ECollision.lower_level == lower_level,
                    ECollision.upper_level == upper_level)).one()

    energy = e_col.energies[0].quantity

    assert_quantity_allclose(energy, expected_energy)

    for temp_strength, expected_temp_strength in zip(e_col.temp_strengths_tuple, expected_temp_strengths):
        assert_allclose(temp_strength, expected_temp_strength)
Beispiel #33
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 def ingest(self, session):
     data_source = DataSource.as_unique(session, short_name=self.ds_short_name)
     return "Ingested"
def test_weightscomp_ingest_default_count(weightscomp_ingester, test_session):
    weightscomp_ingester.download()
    weightscomp_ingester.ingest(test_session)
    nist = DataSource.as_unique(test_session, short_name="nist")
    assert test_session.query(AtomicWeight).\
               filter(AtomicWeight.data_source==nist).count() == 94
Beispiel #35
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 def ingest(self, session):
     data_source = DataSource.as_unique(session,
                                        short_name=self.ds_short_name)
     return "Ingested"
Beispiel #36
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def nist(foo_session):
    return DataSource.as_unique(foo_session, short_name="nist")
Beispiel #37
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def test_data_source_as_unique(memory_session):
    nist = DataSource.as_unique(memory_session, short_name="nist",
                                name="National Institute of Standards and Technology")
    nist2 = DataSource.as_unique(memory_session, short_name="nist")
    assert nist is nist2
Beispiel #38
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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
Beispiel #39
0
def test_data_source_as_unique(foo_session):
    nist = DataSource.as_unique(foo_session, short_name="nist",
                                name="National Institute of Standards and Technology")
    nist2 = DataSource.as_unique(foo_session, short_name="nist",
                                 name="National Institute of Standards and Technology")
    assert nist is nist2
Beispiel #40
0
def test_data_source_unique_constraint(foo_session):
    nist_duplicate = DataSource(short_name="nist")
    foo_session.add(nist_duplicate)
    with pytest.raises(IntegrityError):
        foo_session.commit()