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from periodictable import H, O, Fe, helium, elements, data_files
def test():
## Uncomment to print the package path on the CI infrastructure
#import periodictable
#print(f"Path to imported periodictable in test dir is {periodictable.__file__}")
#print(fail_test)
# Check that we can access element properties
assert H.name == "hydrogen"
assert H.symbol == "H"
assert H.number == 1
assert helium.symbol == 'He'
# Check that isotopes work and produce the correct strings and symbols
O.add_isotope(18)
assert H[2].symbol == 'D'
assert H[3].symbol == 'T'
assert O[18].symbol == 'O'
assert str(H[2]) == 'D'
assert str(H[3]) == 'T'
assert str(O[18]) == '18-O'
try:
Fe[12]
except KeyError as msg:
assert msg.args[0] == '12 is not an isotope of Fe'
# Check that "for el in elements" works and for iso in el works
els = tuple(el for el in elements)
assert els[0].number == 1
assert els[1].number == 2
isotopes = tuple(iso for iso in O)
assert isotopes[0].isotope == 12 # 12 is the first oxygen isotope listed
# Check that table lookup works and fails appropriately
Fe.add_isotope(56)
assert elements.symbol('Fe') == Fe
assert elements.name('iron') == Fe
assert elements.isotope('Fe') == Fe
assert elements.isotope('56-Fe') == Fe[56]
assert elements.isotope('D') == H[2]
try:
elements.symbol('Qu')
except ValueError as msg:
assert str(msg) == "unknown element Qu"
try:
elements.name('Qu')
except ValueError as msg:
assert str(msg) == "unknown element Qu"
try:
elements.isotope('Qu')
except ValueError as msg:
assert str(msg) == "unknown element Qu"
try:
elements.isotope('4-D')
except ValueError as msg:
assert str(msg) == "unknown element 4-D"
# Check that ions work
assert Fe.ion[2].charge == 2
assert Fe.ions == (-4, -2, -1, 1, 2, 3, 4, 5, 6, 7)
assert str(Fe.ion[2]) == "Fe{2+}"
assert str(O.ion[-2]) == "O{2-}"
try:
Fe.ion[-3]
raise Exception("accepts invalid ions")
except ValueError as msg:
assert str(msg) == "-3 is not a valid charge for Fe"
assert data_files()[0][0] == "periodictable-data/xsf"
if __name__ == "__main__":
test()
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