def test_reaction_coef():
path = os.path.join(BASE_DIR, 'test_xmls/reaction_coef_1.xml')
rrr = ReactionSet(path)
assert (rrr.reaction_coefs(900)[0][0] == 0.00044989777442266471)
assert (rrr.reaction_coefs(900)[1][0] == 1.5783556022951033)
def test_reaction_coef_rev():
path = os.path.join(BASE_DIR, 'test_xmls/rxns_rev.xml')
rrr = ReactionSet(path)
assert (np.isclose(rrr.reaction_coefs(200)[0][0], 19066566282.668961))
assert (np.isclose(rrr.reaction_coefs(200)[0][1], 2.43147163435558e+27))
def test_set_params():
path = os.path.join(BASE_DIR, 'test_xmls/reaction_coef_1.xml')
rrr = ReactionSet(path)
rrr.reaction_coefs(900)
rrr.set_params(1, k=10, coeftype='Constant')
assert (rrr.reaction_coefs(900)[1][0] == 10.0)