def test_reaction_rates_rev_high():
x = np.array([2., 1., .5, 1., 1., 1., .5, 1.]).T
path = os.path.join(BASE_DIR, 'test_xmls/rxns_rev.xml')
rrr = ReactionSet(path)
try:
rrr.progress_rates(x, 3501)
except ValueError as err:
assert (type(err) == ValueError)
try:
rrr.reaction_rates(x, 10000)
except ValueError as err:
assert (type(err) == ValueError)
try:
rrr.reaction_rates(x, float('inf'))
except FloatingPointError as err:
assert (type(err) == FloatingPointError)
# bonus test
try:
rrr.reaction_rates('12,34,5,2,1', 1300)
except ValueError as err:
assert (type(err) == ValueError)
try:
rrr.progress_rates('12,34,5,2,1', 1300)
except ValueError as err:
assert (type(err) == ValueError)
def test_reaction_rates_rev_low():
x = np.array([2., 1., .5, 1., 1., 1., .5, 1.]).T
path = os.path.join(BASE_DIR, 'test_xmls/rxns_rev.xml')
rrr = ReactionSet(path)
try:
rrr.progress_rates(x, 190)
except ValueError as err:
assert (type(err) == ValueError)
try:
rrr.reaction_rates(x, 190)
except ValueError as err:
assert (type(err) == ValueError)
try:
rrr.reaction_rates(x, 10)
except FloatingPointError as err:
assert (type(err) == FloatingPointError)
# bonus test
try:
rrr.reaction_rates(x, 'f')
except ValueError as err:
assert (type(err) == ValueError)
try:
rrr.progress_rates(x, 'f')
except ValueError as err:
assert (type(err) == ValueError)
def test_reaction_rates_rev():
x = np.array([2., 1., .5, 1., 1., 1., .5, 1.]).T
path = os.path.join(BASE_DIR, 'test_xmls/rxns_rev.xml')
rrr = ReactionSet(path)
assert(np.isclose(rrr.progress_rates(x,750), [-3.43641832e+16, -5.88589924e+11, 1.36640381e+12, \
-5.51788793e+14, 1.45474612e+13, 6.75189291e+13, \
1.62500000e+13, 7.82443985e+12, 2.55000887e+13, \
2.69382512e+13, 2.84197199e+12]).all())
assert(np.isclose(rrr.reaction_rates(x,750),[3.42304562795e16,-3.38308977852e16,-3.52979102957e+16, \
4.07078984572e+13,5.86479724945e+14,3.44028050967e+16, \
-7.63606068937e+13,-5.52803118677e+13]).all())
def test_reaction_rates():
x = np.array([[1.], [2.], [1.]])
path = os.path.join(BASE_DIR, 'test_xmls/reaction_rate_1.xml')
rrr = ReactionSet(path)
assert (np.array_equal(rrr.progress_rates(x, 10), [40.0, 10.0]))
assert (np.array_equal(rrr.reaction_rates(x, 10), [-60.0, -70.0, 70.0]))