def testNonsensicalAtomicSymbol(self):
with pytest.raises(BadElementInputError):
Transition(500 * u.nm, True, 1)
with pytest.raises(BadElementInputError):
Transition(500 * u.nm, (True, ), 1)
with pytest.raises(BadElementInputError):
Transition(500 * u.nm, False, 1)
with pytest.raises(BadElementInputError):
Transition(500 * u.nm, [False], 1)
def testWavelengthSorting(self):
a = Transition(500 * u.nm, 26, 1)
b = Transition(501 * u.nm, 26, 1)
assert a < b
assert not a > b
assert b > a
assert not b < a
with pytest.raises(ValueError):
assert a < 'A non-transition'
with pytest.raises(ValueError):
assert b > 'A non-transition'
def mock_transition(self):
a = Transition(558.0345 * u.nm, 54, 1)
a.lowerEnergy = 17.012 * u.cm**-1
a.lowerOrbital = '(4F)4s a5F'
a.lowerJ = 1.5
a.higherEnergy = 12051.823 * u.cm**-1
a.higherOrbital = '3Gsp3P x3H'
a.higherJ = 0
a.normalizedDepth = 0.234
return a
def testFractionalJConversion(self):
a = Transition(500 * u.nm, 26, 1)
a.lowerJ = 1.5
assert a.lowerJ == Fraction(3, 2)
a.lowerJ = None
assert a.lowerJ is None
a.higherJ = 2
assert a.higherJ == Fraction(2, 1)
a.higherJ = None
assert a.higherJ is None
def testNonexistentAtomicSymbol(self):
with pytest.raises(BadElementInputError):
Transition(500 * u.nm, 'X', 1)
def testWrongAtomicSymbolTooLong(self):
with pytest.raises(BadElementInputError):
Transition(500 * u.nm, 'Ah!', 1) # Element of surprise
def testAtomicNumberInt(self):
a = Transition(500 * u.nm, 54, 1)
assert a.atomicSymbol == 'Xe'
def transition_2(self):
return Transition(600 * u.nm, 26, 1)
def testWavenumberConversion(self):
a = Transition(500 * u.nm, 26, 1)
a.wavenumber = 2500000 * 1 / u.m
assert a.wavelength.value == pytest.approx(4e-5)
assert a.wavelength.units == u.cm
assert a.wavenumber.units == u.cm**-1
def testStringRomanNumeralIonizationState(self):
a = Transition(500 * u.nm, 26, 'I')
assert a.ionizationState == 1
assert a.atomicSpecies == 'Fe I'
assert a.atomicSymbol == 'Fe'
def testZeroIonizationState(self):
with pytest.raises(IonizationStateError):
Transition(500 * u.nm, 26, 0)
def testNegativeAtomicNumber(self):
with pytest.raises(AtomicNumberError):
Transition(500 * u.nm, -1, 1)
def testZeroAtomicNumber(self):
with pytest.raises(AtomicNumberError):
Transition(500 * u.nm, 0, 1)
def testNoUnits(self):
with pytest.raises(AttributeError):
Transition(500, 26, 1)
def testEquality(self):
a = Transition(500.0 * u.nm, 26, 1)
b = Transition(500.0 * u.nm, 26, 1)
with pytest.raises(ValueError):
assert a == 'A non-transition'
assert a == b
a.lowerEnergy = b.lowerEnergy = 1.3 * u.eV
assert a == b
a.higherEnergy = b.higherEnergy = 5.6 * u.eV
assert a == b
a.lowerJ = b.lowerJ = 1.5
assert a == b
a.higherJ = b.higherJ = 0.5
assert a == b
a.lowerOrbital = b.lowerOrbital = '3d8.(3F).4s.4p.(3P*)'
assert a == b
a.higherOrbital = b.higherOrbital = '3d8.4s.(2F).5s '
assert a == b
# Now test for inequality.
b.higherOrbital = 'non-existent'
assert a != b
b.lowerOrbital = "it's gone too"
assert a != b
b.higherJ = 3
assert a != b
b.lowerJ = 0
assert a != b
b.higherEnergy = 4 * u.eV
assert a != b
b.lowerEnergy = 3 * u.eV
assert a != b
b.ionizationState = 2
assert a != b
b.ionizationState = 1
b.atomicNumber = 27
assert a != b
b.atomicNumber = 26
b.wavelength = 501 * u.nm
assert a != b
def testAtomicSpecies(self):
a = Transition(500 * u.nm, 26, 1)
assert a.atomicSpecies == 'Fe I'
b = Transition(500 * u.nm, 31, 2)
assert b.atomicSpecies == 'Ga II'
def testNegativeIonizationState(self):
with pytest.raises(IonizationStateError):
Transition(500 * u.nm, 26, -1)
def testWavenumberAssigment(self):
a = Transition(500 * u.nm, 26, 1)
assert a.wavenumber.value == pytest.approx(20000)
a.wavenumber = 20000 * u.cm**-1
assert a.wavelength.value == pytest.approx(5e-5)
def testUnsupportedRomanNumeral(self):
with pytest.raises(IonizationStateError):
Transition(500 * u.nm, 26, 'XL')
def transition_1(self):
return Transition(500 * u.nm, 26, 1)
def testAtomicSymbolString(self):
a = Transition(500 * u.nm, 'fe', 1)
assert a.atomicNumber == 26
def transition_3(self):
return Transition(650 * u.nm, 26, 1)
def testAtomicNumberString(self):
a = Transition(500 * u.nm, '77', 1)
assert a.atomicSymbol == 'Ir'
