def __init__(self, material):
"""
Parameters
----------
material_str : str
A string representation of the material which includes an element symbol
(e.g. Si), an element name (e.g. Silicon), or the name of a compound
(e.g. cdte, mylar).
"""
if is_an_element(material):
atomic_number = get_atomic_number(material)
datafile_path = os.path.join(
_data_directory, "elements",
"z" + str(atomic_number).zfill(2) + ".csv")
symbol = roentgen.elements[atomic_number - 1]["symbol"]
name = roentgen.elements[atomic_number - 1]["name"]
elif is_in_known_compounds(material):
compound_index = get_compound_index(material)
symbol = roentgen.compounds[compound_index]["symbol"]
name = roentgen.compounds[compound_index]["name"]
datafile_path = os.path.join(_data_directory, "compounds_mixtures",
symbol.replace(" ", "_") + ".csv")
else:
return NameError("Element or compound not found.")
data = np.loadtxt(datafile_path, delimiter=",")
# find the material in our list
self.symbol = symbol
self.name = name
self.energy = u.Quantity(data[:, 0] * 1000, "keV")
self.data = u.Quantity(data[:, 1], "cm^2/g")
data_energy_kev = np.log10(self.energy.value)
data_attenuation_coeff = np.log10(self.data.value)
self._f = interpolate.interp1d(data_energy_kev,
data_attenuation_coeff,
bounds_error=False,
fill_value=0.0)
self.func = lambda x: u.Quantity(
10**self._f(np.log10(x.to("keV").value)), "cm^2/g")
def test_is_an_element_caseinsensitive_name():
"""Test that searching for an element name is not case sensitive"""
for el in roentgen.elements['name']:
assert is_an_element(el.upper())
assert is_an_element(el.lower())
assert is_an_element(el.capitalize())
def test_is_an_element_name():
"""Test that function is okay with all known elements names"""
for el in roentgen.elements['name']:
assert (is_an_element(el))
def test_is_an_element_symbol():
"""Test that function is okay with all known elements symbols"""
for el in roentgen.elements['symbol']:
assert (is_an_element(el))