def test_global_linear_nn_grand_potential_reactivity():
# E(N) = 0.0 - 0.7 * N, N <= 5
# E(N) = -1.5 - 0.4 * N, N >= 5
# build global tool
model = LinearGlobalTool({5: -3.5, 6: -3.9, 4: -2.8})
# check fundamental descriptors
assert_equal(model.softness, None)
assert_equal(model.hyper_softness(2), None)
assert_equal(model.hyper_softness(3), None)
assert_equal(model.hyper_softness(4), None)
assert_equal(model.hyper_softness(8), None)
def test_global_linear_np_grand_potential_reactivity():
# E(N) = -1.0 - 0.5 * N, N <= 10
# E(N) = -7.0 + 0.1 * N, N >= 10
# build global tool
model = LinearGlobalTool({10: -6.0, 11: -5.9, 9: -5.5})
# check fundamental descriptors
assert_equal(model.softness, None)
assert_equal(model.hyper_softness(2), None)
assert_equal(model.hyper_softness(3), None)
assert_equal(model.hyper_softness(4), None)
assert_equal(model.hyper_softness(10), None)